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CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,0,0,0,0,0|2,0,1]=3 80 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,0,0,0,0,0|2,0,1]=3 81 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,0,0,0,0,0|1,0,3]=4 82 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [0,0,0,0,0,0|1,0,3]=4 83 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [0,0,0,0,0,0|1,0,3]=4 84 B10R0.74 CCC=CC=NNC(=O)CC 4a_100000183195_100011216943 [0,0,0,0,0,0|2,0,1]=3 85 B10R0.74 CCCCCC#CC(=O)CC 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[0,0,0,0,0,0|3,0,1]=4 122 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,0,0,0,0,0|2,0,1]=3 124 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,0,0,0,0,0|2,0,1]=3 125 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,0,0,0,0,0|2,0,1]=3 126 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,0,0,0,0,0|2,0,1]=3 127 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,0,0,0,0,0|2,0,1]=3 128 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,0,0,0,0,0|3,0,1]=4 129 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,0,0,0,0,0|3,0,1]=4 130 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,0,0,0,0,0|3,0,1]=4 131 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,0,0,0,0,0|3,0,1]=4 132 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,0,0,0,0,0|3,0,1]=4 133 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,0,0,0,0,0|3,0,1]=4 134 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,0,0,0,0,0|3,0,1]=4 135 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,0,0,0,0,0|3,0,1]=4 137 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,0,0,0,0,0|1,0,1]=2 138 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,0,0,0,0,0|2,0,1]=3 139 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,0,0,0,0,0|2,0,1]=3 140 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,0,0,0,0,0|2,0,2]=4 142 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,0,0,0,0,0|2,0,2]=4 143 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,0,0,0,0,0|3,0,1]=4 146 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,0,0,0,0,0|2,0,1]=3 148 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,0,0,0,0,0|2,0,1]=3 149 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,0,0,0,0,0|2,0,1]=3 150 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,0,0,0,0,0|3,0,1]=4 153 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,0,0,0,0,0|3,0,1]=4 156 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,0,0,0,0,0|2,0,1]=3 159 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,0,0,0,0,0|2,0,1]=3 160 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,0,0,0,0,0|2,0,2]=4 161 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,0,0,0,0,0|2,0,2]=4 162 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,0,0,0,0,0|3,0,1]=4 163 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,0,0,0,0,0|2,0,1]=3 167 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,0,0,0,0,0|2,0,1]=3 168 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,0,0,0,0,0|2,0,1]=3 169 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,0,0,0,0,0|2,0,1]=3 170 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,0,0,0,0,0|3,0,1]=4 173 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,0,0,0,0,0|3,0,1]=4 174 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,0,0,0,0,0|3,0,1]=4 178 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,0,0,0,0,0|3,0,1]=4 183 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,0,0,0,0,0|3,0,1]=4 184 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,0,0,0,0,0|3,0,1]=4 185 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,0,0,0,0,0|3,0,1]=4 187 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,0,0,0,0,0|3,0,1]=4 195 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,0,0,0,0,0|3,0,1]=4 196 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,0,0,0,0,0|3,0,1]=4 197 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,0,0,0,0,0|3,0,1]=4 198 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,0,0,0,0,0|3,0,1]=4 199 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,0,0,0,0,0|3,0,1]=4 200 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,0,0,0,0,0|3,0,1]=4 201 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,0,0,0,0,0|3,0,1]=4 202 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,0,0,0,0,0|3,0,1]=4 203 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,0,0,0,0,0|3,0,1]=4 205 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,0,0,0,0,0|3,0,1]=4 206 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,0,0,0,0,0|3,0,1]=4 207 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,0,0,0,0,0|3,0,1]=4 209 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [1,0,0,0,0,0|1,0,2]=4 211 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [1,0,0,0,0,0|1,0,2]=4 212 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [1,0,0,0,0,0|1,0,2]=4 213 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [1,0,0,0,0,0|3,0,0]=4 214 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [1,0,0,0,0,0|3,0,0]=4 215 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [1,0,0,0,0,0|3,0,0]=4 216 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [1,0,0,0,0,0|3,0,0]=4 217 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|1,0,2]=4 218 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|1,0,2]=4 219 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|1,0,2]=4 220 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|1,0,2]=4 221 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [1,0,0,0,0,0|2,0,1]=4 222 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [1,0,0,0,0,0|2,0,1]=4 223 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,0,0,0,0|2,0,1]=4 225 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,0,0,0,0,0|2,0,1]=4 226 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,0,0,0,0,0|2,0,1]=4 228 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,0,0,0,0,0|2,0,1]=4 229 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,0,0,0,0,0|2,0,1]=4 230 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,0,0,0,0,0|2,0,1]=4 231 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|2,0,1]=4 232 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|2,0,1]=4 233 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,0,0,0,0,0|2,0,1]=4 234 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,0,0,0,0,0|2,0,1]=4 235 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,0,0,0,0,0|1,0,1]=3 236 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,0,0,0,0,0|1,0,1]=3 237 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,0,0,0,0,0|1,0,1]=3 238 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,0,0,0,0,0|1,1,1]=4 239 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,0,0,0,0,0|1,1,1]=4 240 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [1,0,0,0,0,0|3,0,0]=4 241 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,0,0,0,0,0|3,0,0]=4 242 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,0,0,0,0,0|2,0,0]=3 243 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [1,0,0,0,0,0|3,0,0]=4 244 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [1,0,0,0,0,0|3,0,0]=4 245 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [1,0,0,0,0,0|3,0,0]=4 246 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [1,0,0,0,0,0|3,0,0]=4 247 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [1,0,0,0,0,0|3,0,0]=4 248 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [1,0,0,0,0,0|3,0,0]=4 249 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [1,0,0,0,0,0|1,0,2]=4 250 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [1,0,0,0,0,0|1,0,2]=4 251 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [1,0,0,0,0,0|2,0,1]=4 252 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|1,0,2]=4 253 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|1,0,2]=4 254 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|1,0,2]=4 255 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,2]=4 256 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,2]=4 257 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,2]=4 258 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,2]=4 259 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|1,0,2]=4 260 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|1,0,2]=4 261 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|1,0,2]=4 262 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|2,0,1]=4 263 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|2,0,1]=4 270 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|1,0,1]=3 271 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|2,0,1]=4 272 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|2,0,1]=4 273 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|2,0,1]=4 274 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|2,0,1]=4 275 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|2,0,1]=4 276 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|2,0,1]=4 277 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|2,0,1]=4 278 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|2,0,1]=4 279 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|2,0,1]=4 280 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|1,0,1]=3 281 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|1,0,1]=3 282 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|2,0,1]=4 283 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|2,0,1]=4 284 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|2,0,1]=4 285 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [1,0,0,0,0,0|1,1,1]=4 286 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|1,1,1]=4 287 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|2,0,1]=4 292 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|2,0,1]=4 293 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|1,0,1]=3 294 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [1,0,0,0,0,0|1,1,1]=4 295 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|1,1,1]=4 296 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|2,0,1]=4 299 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|2,0,1]=4 300 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|1,0,1]=3 301 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|1,0,1]=3 302 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [1,0,0,0,0,0|1,1,1]=4 303 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [1,0,0,0,0,0|1,1,1]=4 304 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|1,1,1]=4 305 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|1,1,1]=4 306 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|1,0,2]=4 307 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|1,0,2]=4 308 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,0,0,0,0|2,0,1]=4 309 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|1,0,2]=4 310 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|1,0,2]=4 311 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|1,0,2]=4 312 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,0,0,0,0,0|2,0,1]=4 313 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [1,0,0,0,0,0|2,0,1]=4 314 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [1,0,0,0,0,0|2,0,1]=4 315 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|1,0,2]=4 316 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|1,0,2]=4 317 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,0,0,0,0,0|2,0,1]=4 318 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,0,0,0,0,0|2,0,1]=4 319 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [1,0,0,0,0,0|2,0,1]=4 320 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [1,0,0,0,0,0|2,0,1]=4 321 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [1,0,0,0,0,0|0,0,3]=4 322 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [1,0,0,0,0,0|0,0,3]=4 323 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [1,0,0,0,0,0|0,0,3]=4 324 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,0,0,0,0,0|0,0,3]=4 325 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [1,0,0,0,0,0|2,0,1]=4 327 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [1,0,0,0,0,0|2,0,1]=4 328 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [1,0,0,0,0,0|2,0,1]=4 329 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [1,0,0,0,0,0|0,0,3]=4 330 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [1,0,0,0,0,0|0,0,3]=4 331 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [1,0,0,0,0,0|0,0,3]=4 332 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|2,0,0]=3 333 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|2,0,0]=3 334 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,0,0,0,0,0|3,0,0]=4 335 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,0,0,0,0,0|3,0,0]=4 336 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 337 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 338 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 339 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 340 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,0,0,0,0,0|2,0,1]=4 341 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,0,0,0,0,0|2,0,1]=4 342 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,0,0,0,0,0|2,0,1]=4 343 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [1,0,0,0,0,0|1,0,2]=4 344 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,0,0,0,0,0|1,0,2]=4 345 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,0,0,0,0,0|1,0,2]=4 346 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,0,0,0,0,0|1,0,1]=3 347 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|0,0,1]=2 348 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|0,0,1]=2 349 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|0,0,1]=2 350 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,0,0,0,0,0|1,0,1]=3 351 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,0,0,0,0,0|1,0,1]=3 352 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,0,0,0,0,0|1,0,1]=3 353 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,0,0,0,0,0|1,0,1]=3 354 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,0,0,0,0,0|1,0,1]=3 355 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,0,0,0,0,0|1,0,1]=3 356 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|0,1,1]=3 357 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|0,1,1]=3 358 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,0,0,0,0,0|1,1,1]=4 359 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,0,0,0,0,0|1,1,1]=4 360 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,0,0,0,0,0|1,1,1]=4 361 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,0,0,0,0,0|1,1,1]=4 362 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,0,0,0,0,0|1,1,1]=4 363 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,0,0,0,0,0|1,1,1]=4 364 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,0,0,0,0,0|1,1,1]=4 365 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,0,0,0,0,0|1,1,1]=4 366 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|2,0,1]=4 367 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|2,0,1]=4 368 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 369 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|2,0,1]=4 370 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|2,0,1]=4 371 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|2,0,1]=4 372 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|2,0,1]=4 373 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,0,0,0,0,0|3,0,0]=4 374 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,0,0,0,0,0|3,0,0]=4 375 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,0,0,0,0,0|0,0,3]=4 376 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|0,0,3]=4 377 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [1,0,0,0,0,0|2,0,1]=4 378 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [1,0,0,0,0,0|2,0,1]=4 379 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [1,0,0,0,0,0|2,0,1]=4 380 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,0,0,0,0,0|0,0,3]=4 381 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,0,0,0,0,0|0,0,3]=4 382 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|0,0,3]=4 383 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|0,0,3]=4 384 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|0,0,3]=4 385 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|0,0,3]=4 386 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|0,0,3]=4 387 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|1,0,2]=4 388 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|1,0,2]=4 389 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|1,0,2]=4 390 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|1,0,2]=4 391 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|1,0,2]=4 392 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|1,0,2]=4 393 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|1,0,2]=4 394 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|1,0,2]=4 395 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|1,0,2]=4 396 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|1,0,2]=4 397 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|1,0,2]=4 398 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|1,0,2]=4 399 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|1,0,2]=4 400 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|1,0,2]=4 401 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|1,0,2]=4 402 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|1,0,2]=4 403 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [1,0,0,0,0,0|0,0,2]=3 404 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [1,0,0,0,0,0|1,0,1]=3 405 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [1,0,0,0,0,0|2,0,1]=4 406 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [1,0,0,0,0,0|2,0,0]=3 407 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [1,0,0,0,0,0|3,0,0]=4 408 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [1,0,0,0,0,0|3,0,0]=4 409 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [1,0,0,0,0,0|3,0,0]=4 410 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [1,0,0,0,0,0|2,0,0]=3 411 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [1,0,0,0,0,0|2,0,0]=3 412 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [1,0,0,0,0,0|3,0,0]=4 413 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [1,0,0,0,0,0|3,0,0]=4 414 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [1,0,0,0,0,0|3,0,0]=4 415 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [1,0,0,0,0,0|3,0,0]=4 416 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [1,0,0,0,0,0|0,0,2]=3 417 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [1,0,0,0,0,0|1,0,2]=4 418 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [1,0,0,0,0,0|1,0,2]=4 419 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [1,0,0,0,0,0|1,0,2]=4 420 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [1,0,0,0,0,0|1,0,2]=4 421 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,0,0,0,0,0|1,0,2]=4 422 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,0,0,0,0,0|1,0,2]=4 423 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 424 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 425 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 426 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 427 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,0,0,0,0,0|0,0,0]=1 428 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,0,0,0,0,0|1,0,0]=2 429 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,0,0,0,0,0|2,0,0]=3 430 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,0,0,0,0,0|2,0,0]=3 431 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,0,0,0,0,0|2,0,1]=4 432 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,0,0,0,0,0|1,0,1]=3 433 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,0,0,0,0,0|1,0,1]=3 434 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [1,0,0,0,0,0|2,0,1]=4 436 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [1,0,0,0,0,0|2,0,1]=4 437 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [1,0,0,0,0,0|2,0,1]=4 438 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,0,0,0,0,0|1,1,1]=4 439 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,0,0,0,0,0|1,1,1]=4 440 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [1,0,0,0,0,0|3,0,0]=4 441 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [1,0,0,0,0,0|2,0,0]=3 442 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [1,0,0,0,0,0|3,0,0]=4 443 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [1,0,0,0,0,0|2,0,0]=3 444 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [1,0,0,0,0,0|2,0,0]=3 445 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [1,0,0,0,0,0|3,0,0]=4 446 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [1,0,0,0,0,0|3,0,0]=4 447 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [1,0,0,0,0,0|3,0,0]=4 448 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [1,0,0,0,0,0|3,0,0]=4 449 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|1,0,2]=4 450 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|1,0,2]=4 451 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|1,0,2]=4 452 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|1,0,2]=4 453 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,0,0,0,0,0|2,0,1]=4 454 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,0,0,0,0,0|2,0,1]=4 455 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,0,0,0,0|2,0,1]=4 456 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,0,0,0,0|2,0,1]=4 457 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,0,0,0,0|2,0,1]=4 458 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,0,0,0,0|2,0,1]=4 460 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,0,0,0,0|2,0,1]=4 461 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,0,0,0,0|2,0,1]=4 462 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,0,0,0,0|2,0,1]=4 463 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,0,0,0,0|2,0,1]=4 464 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [1,0,0,0,0,0|3,0,0]=4 465 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 466 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 467 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,0,0,0,0,0|2,0,0]=3 468 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,0,0,0,0,0|0,0,2]=3 469 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [1,0,0,0,0,0|1,0,2]=4 470 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,0,0,0,0,0|1,0,2]=4 471 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 472 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 473 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 474 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [1,0,0,0,0,0|2,0,1]=4 475 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,0,0,0,0|1,0,2]=4 476 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|0,0,2]=3 477 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|0,0,2]=3 478 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|1,0,2]=4 479 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|1,0,2]=4 480 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|1,0,2]=4 481 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|1,0,2]=4 482 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|1,0,2]=4 483 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|1,0,2]=4 484 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|1,0,1]=3 485 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|1,0,1]=3 486 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|1,0,1]=3 487 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|1,0,1]=3 488 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,0,0,0,0|2,0,1]=4 489 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,0,0,0,0|2,0,1]=4 491 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,0,0,0,0|2,0,1]=4 492 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,0,0,0,0|2,0,1]=4 493 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,0,0,0,0|2,0,1]=4 496 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,0,0,0,0,0|1,0,2]=4 497 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,0,0,0,0,0|1,0,2]=4 498 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,0,0,0,0,0|1,0,2]=4 499 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|1,0,2]=4 500 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,0,0,0,0|2,0,1]=4 501 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|1,0,2]=4 502 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|1,0,2]=4 503 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|1,0,2]=4 504 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|1,0,2]=4 505 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|1,0,2]=4 506 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|1,0,2]=4 507 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|1,0,2]=4 508 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,0,0,0,0|2,0,1]=4 509 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,0,0,0,0|2,0,1]=4 510 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|1,0,1]=3 511 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,0,0,0,0|2,0,1]=4 514 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,0,0,0,0|2,0,1]=4 515 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,0,0,0,0|2,0,1]=4 516 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,0,0,0,0|2,0,1]=4 517 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,0,0,0,0|2,0,1]=4 518 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,0,0,0,0|2,0,1]=4 519 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,0,0,0,0|2,0,1]=4 520 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,0,0,0,0|2,0,1]=4 521 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,0,0,0,0|2,0,1]=4 522 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,0,0,0,0|2,0,1]=4 523 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,0,0,0,0|2,0,1]=4 524 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,0,0,0,0|2,0,0]=3 525 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,0,0,0,0,0|3,0,0]=4 526 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|1,0,1]=3 527 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,0,0,0,0,0|2,0,1]=4 528 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,0,0,0,0|2,0,1]=4 529 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,0,0,0,0|2,0,1]=4 530 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 531 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,0,0,0,0|2,0,0]=3 532 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 533 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 534 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 535 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 536 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 537 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 538 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,0,0,0,0|3,0,0]=4 539 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,0,0,0,0|3,0,0]=4 540 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,0,0,0,0|3,0,0]=4 541 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,0,0,0,0|3,0,0]=4 542 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,0,0,0,0|3,0,0]=4 543 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,0,0,0,0|3,0,0]=4 544 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,0,0,0,0,0|3,0,0]=4 545 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,0,0,0,0|1,0,0]=2 546 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,0,0,0,0|2,0,0]=3 547 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,0,0,0,0|2,0,0]=3 548 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,0,0,0,0,0|2,0,1]=4 549 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,0,0,0,0,0|2,0,1]=4 550 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,0,0,0,0,0|2,0,1]=4 551 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,0,0,0,0,0|2,0,1]=4 552 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,0,0,0,0,0|2,0,1]=4 553 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,0,0,0,0,0|2,0,1]=4 554 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,0,0,0,0,0|2,0,1]=4 555 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,0,0,0,0,0|2,0,1]=4 556 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,0,0,0,0,0|2,0,1]=4 557 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 558 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 559 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 560 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 561 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 562 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 563 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,0,0,0,0,0|3,0,0]=4 564 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 565 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 566 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 567 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 568 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,0,0,0,0,0|3,0,0]=4 569 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,0,0,0,0|2,0,0]=3 570 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,0,0,0,0|2,0,0]=3 571 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,0,0,0,0,0|2,0,1]=4 572 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,0,0,0,0,0|2,0,1]=4 573 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,0,0,0,0,0|2,0,1]=4 574 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [1,0,0,0,0,0|3,0,0]=4 576 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,0,0,0,0,0|3,0,0]=4 577 B11R0.4 C#CCC(C)OCC/C=C\CC 34a_100000685586_100015370543 [0,1,0,0,0,0|1,0,2]=4 578 B11R0.4 C#CCC(C)OCC/C=C\CC 7a_100000685586_100015370543 [0,1,0,0,0,0|1,0,2]=4 579 B11R0.4 C/C=C/C(C)OCC/C=C\CC 34a_200102604097_100015370543 [0,1,0,0,0,0|1,0,2]=4 580 B11R0.4 C/C=C/COCOC(=O)CCC 34a_100016270725_100000034017 [0,1,0,0,0,0|1,0,2]=4 581 B11R0.4 C/C=C/CSCOC(=O)CCC 62a_100102629194_100000034017 [0,1,0,0,0,0|1,0,2]=4 582 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,1,0,0,0,0|1,0,2]=4 583 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 34a_100000731007_100015370543 [0,1,0,0,0,0|1,0,2]=4 584 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 7a_100000731007_100015370543 [0,1,0,0,0,0|1,0,2]=4 585 B11R0.4 CC#CC(C)OCC/C=C\CC 34a_100011216543_100015370543 [0,1,0,0,0,0|1,0,2]=4 586 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [0,1,0,0,0,0|2,0,1]=4 587 B11R0.4 CC/C=C\CCN[C@H](C)CCO 2230a_100000706166_100015370543 [0,1,0,0,0,0|2,0,1]=4 588 B11R0.4 CC/C=C\CCN[C@H](C)CCO 34a_100000706166_100015370543 [0,1,0,0,0,0|2,0,1]=4 589 B11R0.4 CC/C=C\CCN[C@H](C)COC 2230a_100000764878_100015370543 [0,1,0,0,0,0|2,0,1]=4 590 B11R0.4 CC/C=C\CCOC(C)CC#N 7a_100016288707_100009813641 [0,1,0,0,0,0|1,0,2]=4 591 B11R0.4 CC/C=C\CCOC(C)CCBr 34a_100012276601_100015370543 [0,1,0,0,0,0|1,0,1]=3 592 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,1,0,0,0,0|1,0,1]=3 593 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,1,0,0,0,0|1,0,1]=3 594 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,1,0,0,0,0|1,0,1]=3 595 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,1,0,0,0,0|1,0,1]=3 596 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [0,1,0,0,0,0|1,0,1]=3 597 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [0,1,0,0,0,0|1,0,1]=3 598 B11R0.4 CC/C=C\CCOC(C)COC 34a_100016288707_100000765312 [0,1,0,0,0,0|1,0,1]=3 599 B11R0.4 CC/C=C\CCOC(C)COC 7a_100016288707_100000765312 [0,1,0,0,0,0|1,0,1]=3 600 B11R0.4 CC/C=C\CCO[C@H](C)COC 34a_100011934205_100015370543 [0,1,0,0,0,0|1,0,1]=3 601 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100000766640_100015370543 [0,1,0,0,0,0|1,1,1]=4 602 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100015370543_100000766640 [0,1,0,0,0,0|1,1,1]=4 603 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100009893172_100015370543 [0,1,0,0,0,0|1,1,1]=4 604 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100015370543_100009893172 [0,1,0,0,0,0|1,1,1]=4 605 B11R0.4 CC/C=C\CCSC(C)COC 62a_100000765312_100015370543 [0,1,0,0,0,0|1,1,1]=4 606 B11R0.4 CC/C=C\CCSC(C)COC 62a_100015370543_100000765312 [0,1,0,0,0,0|1,1,1]=4 607 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,1,0,0,0,0|2,0,0]=3 608 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,1,0,0,0,0|2,0,0]=3 609 B11R0.4 CC/C=C\COCC(=O)NCO 34a_100016268518_100000185155 [0,1,0,0,0,0|3,0,0]=4 610 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,1,0,0,0,0|2,0,0]=3 611 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,1,0,0,0,0|2,0,0]=3 612 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,1,0,0,0,0|2,0,0]=3 613 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,1,0,0,0,0|2,0,0]=3 614 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,1,0,0,0,0|2,0,0]=3 615 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100000185155_100103147603 [0,1,0,0,0,0|3,0,0]=4 616 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100103147603_100000185155 [0,1,0,0,0,0|3,0,0]=4 617 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,1,0,0,0,0|2,0,0]=3 618 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,1,0,0,0,0|2,0,0]=3 619 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [0,1,0,0,0,0|1,0,2]=4 620 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,1,0,0,0,0|1,0,2]=4 621 B11R0.4 CCC=CC=NNC(=O)CCC 4a_100000189770_100011216943 [0,1,0,0,0,0|2,0,1]=4 622 B11R0.4 CCC=CC=NNC(=O)COC 4a_100000216845_100011216943 [0,1,0,0,0,0|2,0,1]=4 623 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,1,0,0,0,0|2,0,1]=4 624 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,1,0,0,0,0|2,0,1]=4 625 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,1,0,0,0,0|2,0,1]=4 626 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,1,0,0,0,0|2,0,1]=4 627 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,1,0,0,0,0|2,0,1]=4 628 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|1,0,2]=4 629 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|1,0,2]=4 630 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|1,0,2]=4 631 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|1,0,2]=4 632 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|1,0,2]=4 633 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|1,0,2]=4 634 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|1,0,2]=4 635 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|1,0,2]=4 636 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|1,0,2]=4 637 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|1,0,2]=4 638 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 639 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 640 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 641 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|1,0,2]=4 642 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|1,0,2]=4 643 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|1,0,2]=4 644 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|1,0,2]=4 645 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|1,0,2]=4 646 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 647 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 648 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 649 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|1,0,2]=4 650 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|1,0,2]=4 651 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 652 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 653 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 654 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|1,0,2]=4 655 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|1,0,2]=4 656 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|1,0,2]=4 657 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|1,0,2]=4 658 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|1,0,2]=4 659 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|1,0,2]=4 660 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|1,0,2]=4 661 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|1,0,2]=4 662 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|1,0,2]=4 663 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,1,0,0,0,0|1,0,2]=4 664 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,1,0,0,0,0|1,0,2]=4 665 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,1,0,0,0,0|1,0,2]=4 666 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,0,0,0,0|1,0,2]=4 667 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|2,0,1]=4 668 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|2,0,1]=4 669 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,1,0,0,0,0|2,0,1]=4 670 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,1,0,0,0,0|2,0,1]=4 671 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,1,0,0,0,0|2,0,1]=4 672 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,0,0,0,0|2,0,1]=4 673 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,0,0,0,0|2,0,1]=4 674 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,0,0,0,0|2,0,1]=4 675 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,0,0,0,0|2,0,1]=4 676 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,1,0,0,0,0|2,0,1]=4 677 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,1,0,0,0,0|2,0,1]=4 678 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,1,0,0,0,0|2,0,1]=4 679 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,0,0,0,0|2,0,1]=4 680 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,0,0,0,0|2,0,1]=4 681 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,0,0,0,0|2,0,1]=4 682 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,0,0,0,0|2,0,1]=4 683 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,0,0,0,0|2,0,1]=4 684 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,0,0,0,0|2,0,1]=4 685 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,0,0,0,0|2,0,1]=4 686 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|2,0,1]=4 687 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|2,0,1]=4 688 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,1,0,0,0,0|2,0,1]=4 689 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,1,0,0,0,0|2,0,1]=4 690 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,1,0,0,0,0|2,0,1]=4 691 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,0,0,0,0|2,0,1]=4 692 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,0,0,0,0|2,0,1]=4 693 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,0,0,0,0|2,0,1]=4 694 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,0,0,0,0|2,0,1]=4 695 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,1,0,0,0,0|2,0,1]=4 696 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,1,0,0,0,0|2,0,1]=4 697 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,1,0,0,0,0|2,0,1]=4 698 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,0,0,0,0|2,0,1]=4 699 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,0,0,0,0|2,0,1]=4 700 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,0,0,0,0|2,0,1]=4 701 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,0,0,0,0|2,0,1]=4 702 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,0,0,0,0|2,0,1]=4 703 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,0,0,0,0|2,0,1]=4 704 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,0,0,0,0|2,0,1]=4 705 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,1,0,0,0,0|2,0,1]=4 706 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,1,0,0,0,0|2,0,1]=4 707 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,1,0,0,0,0|2,0,1]=4 708 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,1,0,0,0,0|2,0,1]=4 709 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,1,0,0,0,0|2,0,1]=4 710 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,1,0,0,0,0|2,0,1]=4 711 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|2,0,1]=4 712 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|2,0,1]=4 713 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|2,0,1]=4 714 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|2,0,1]=4 715 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,0,0,0,0|2,0,1]=4 716 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 717 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 718 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 719 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,0,0,0,0|2,0,1]=4 720 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,1,0,0,0,0|2,0,1]=4 721 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,1,0,0,0,0|2,0,1]=4 722 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,1,0,0,0,0|2,0,1]=4 723 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,1,0,0,0,0|2,0,1]=4 724 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,1,0,0,0,0|2,0,1]=4 725 B11R0.40 C#CCCOCCOC(=O)CC 7a_200000031056_100000688953 [0,1,0,0,0,0|1,0,2]=4 726 B11R0.40 C/C=C/C=C/COCC(=O)NC 34a_100016283227_100000183359 [0,1,0,0,0,0|1,0,2]=4 727 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,1,0,0,0,0|1,0,2]=4 728 B11R0.40 C/C=C/CNCCNC(=O)CC 34a_100132302217_100102629194 [0,1,0,0,0,0|1,0,2]=4 729 B11R0.40 C/C=C/COCCNC(=O)CC 34a_200000158885_100102629194 [0,1,0,0,0,0|1,0,2]=4 730 B11R0.40 C/C=C/COCCNC(=O)CC 7a_200000158885_100102629194 [0,1,0,0,0,0|1,0,2]=4 731 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,1,0,0,0,0|0,0,2]=3 732 B11R0.40 C/C=C/COCCOC(=O)NC 34a_100016270725_200011997002 [0,1,0,0,0,0|1,0,2]=4 733 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,1,0,0,0,0|1,0,2]=4 734 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_100102629194_200011997002 [0,1,0,0,0,0|1,0,2]=4 735 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_200011997002_100102629194 [0,1,0,0,0,0|1,0,2]=4 736 B11R0.40 C=C(C#N)COCC/C=C\CC 34a_100016288707_100000694840 [0,1,0,0,0,0|2,0,1]=4 737 B11R0.40 C=CCCOCCOC(=O)CC 7a_200000031056_100000754431 [0,1,0,0,0,0|1,0,2]=4 738 B11R0.40 CC#CCOCCOC(=O)CC 7a_200000031056_100000748600 [0,1,0,0,0,0|0,0,3]=4 739 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [0,1,0,0,0,0|1,0,1]=3 740 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [0,1,0,0,0,0|1,0,1]=3 741 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,1,0,0,0,0|2,0,1]=4 742 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,1,0,0,0,0|2,0,1]=4 743 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,1,0,0,0,0|2,0,0]=3 744 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [0,1,0,0,0,0|2,0,1]=4 745 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [0,1,0,0,0,0|1,0,2]=4 746 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,1,0,0,0,0|0,0,0]=1 747 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,1,0,0,0,0|0,0,0]=1 748 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,1,0,0,0,0|1,0,0]=2 749 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,1,0,0,0,0|1,0,0]=2 750 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,1,0,0,0,0|1,0,0]=2 751 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,1,0,0,0,0|1,0,0]=2 752 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,1,0,0,0,0|1,0,0]=2 753 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [0,1,0,0,0,0|1,0,1]=3 754 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [0,1,0,0,0,0|1,0,1]=3 755 B11R0.40 CC/C=C\CCOCC(C)CN 34a_100000744482_100015370543 [0,1,0,0,0,0|2,0,1]=4 756 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [0,1,0,0,0,0|2,0,1]=4 757 B11R0.40 CC/C=C\CCOCC(Cl)CCl 34a_100000033668_100015370543 [0,1,0,0,0,0|2,0,1]=4 758 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,1,0,0,0,0|0,0,2]=3 759 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,1,0,0,0,0|0,0,2]=3 760 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,1,0,0,0,0|1,0,2]=4 761 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,1,0,0,0,0|1,0,2]=4 762 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [0,1,0,0,0,0|1,0,1]=3 763 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [0,1,0,0,0,0|1,0,1]=3 764 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [0,1,0,0,0,0|1,0,1]=3 765 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,1,0,0,0,0|2,0,1]=4 766 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,1,0,0,0,0|2,0,1]=4 767 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,1,0,0,0,0|1,0,2]=4 768 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,1,0,0,0,0|1,0,2]=4 769 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,1,0,0,0,0|1,0,2]=4 770 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,1,0,0,0,0|1,0,2]=4 771 B11R0.40 CC/C=C\CCOC[C@H](F)CN 34a_100015665980_100015370543 [0,1,0,0,0,0|2,0,1]=4 772 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,1,0,0,0,0|0,1,0]=2 773 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,1,0,0,0,0|0,1,0]=2 774 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,1,0,0,0,0|1,1,0]=3 775 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,1,0,0,0,0|1,1,0]=3 776 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,1,0,0,0,0|1,1,0]=3 777 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,1,0,0,0,0|1,1,0]=3 778 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [0,1,0,0,0,0|1,1,1]=4 779 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [0,1,0,0,0,0|1,1,1]=4 780 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [0,1,0,0,0,0|0,1,2]=4 781 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [0,1,0,0,0,0|0,1,2]=4 782 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [0,1,0,0,0,0|1,1,1]=4 783 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [0,1,0,0,0,0|1,1,1]=4 784 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,1,0,0,0,0|2,0,0]=3 785 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,1,0,0,0,0|2,0,0]=3 786 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [0,1,0,0,0,0|2,0,1]=4 787 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,1,0,0,0,0|2,0,0]=3 788 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,1,0,0,0,0|2,0,0]=3 789 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,1,0,0,0,0|2,0,0]=3 790 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [0,1,0,0,0,0|2,0,1]=4 791 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,1,0,0,0,0|2,0,0]=3 792 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,1,0,0,0,0|2,0,0]=3 793 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,1,0,0,0,0|2,0,0]=3 794 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,1,0,0,0,0|2,0,0]=3 795 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,1,0,0,0,0|1,0,0]=2 796 B11R0.40 CC=C=CCCOCC(=O)NC 34a_100011020354_100000183359 [0,1,0,0,0,0|1,0,2]=4 797 B11R0.40 CC=C=CCCOCC(=O)OC 34a_100011020354_100000747449 [0,1,0,0,0,0|1,0,2]=4 798 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,1,0,0,0,0|1,0,2]=4 799 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,1,0,0,0,0|1,0,2]=4 800 B11R0.40 CC=CCNCCNC(=O)CC 34a_100132302217_100000070051 [0,1,0,0,0,0|1,0,2]=4 801 B11R0.40 CC=CCOCCNC(=O)CC 34a_200000158885_100000070051 [0,1,0,0,0,0|1,0,2]=4 802 B11R0.40 CC=CCOCCNC(=O)CC 7a_200000158885_100000070051 [0,1,0,0,0,0|1,0,2]=4 803 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,1,0,0,0,0|0,0,2]=3 804 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,1,0,0,0,0|1,0,2]=4 805 B11R0.40 CC=CCSCCOC(=O)NC 62a_100000070051_200011997002 [0,1,0,0,0,0|1,0,2]=4 806 B11R0.40 CC=CCSCCOC(=O)NC 62a_200011997002_100000070051 [0,1,0,0,0,0|1,0,2]=4 807 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,1,0,0,0,0|0,0,2]=3 808 B11R0.40 CCC#CCCOCC(=O)NC 34a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 809 B11R0.40 CCC#CCCOCC(=O)NC 7a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 810 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 811 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 812 B11R0.40 CCC#CCSCOC(=O)OC 62a_100009813939_100000139417 [0,1,0,0,0,0|1,0,2]=4 813 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|1,0,2]=4 814 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|1,0,2]=4 815 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|1,0,2]=4 816 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,0,0,0,0|2,0,1]=4 817 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|1,0,2]=4 818 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|1,0,2]=4 819 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|1,0,2]=4 820 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|1,0,2]=4 821 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|1,0,2]=4 822 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|1,0,2]=4 823 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|1,0,2]=4 824 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,1,0,0,0,0|2,0,1]=4 825 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,1,0,0,0,0|2,0,1]=4 826 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,1,0,0,0,0|2,0,1]=4 827 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,1,0,0,0,0|2,0,1]=4 828 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,1,0,0,0,0|2,0,1]=4 829 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,1,0,0,0,0|2,0,1]=4 830 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|1,0,2]=4 831 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|1,0,2]=4 832 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 833 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 834 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 835 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|1,0,2]=4 836 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,1,0,0,0,0|2,0,1]=4 837 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,1,0,0,0,0|2,0,1]=4 838 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,1,0,0,0,0|2,0,1]=4 839 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,1,0,0,0,0|2,0,1]=4 840 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,1,0,0,0,0|2,0,1]=4 841 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,1,0,0,0,0|2,0,1]=4 842 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,1,0,0,0,0|2,0,1]=4 843 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,1,0,0,0,0|2,0,1]=4 844 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,1,0,0,0,0|2,0,1]=4 845 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,1,0,0,0,0|2,0,1]=4 846 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,1,0,0,0,0|2,0,1]=4 847 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,1,0,0,0,0|2,0,1]=4 848 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,1,0,0,0,0|2,0,1]=4 849 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,1,0,0,0,0|2,0,1]=4 850 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,1,0,0,0,0|2,0,1]=4 851 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,1,0,0,0,0|2,0,1]=4 852 B11R0.40 CCC(=O)OCCOCCC#N 7a_200000031056_100000184422 [0,1,0,0,0,0|1,0,2]=4 853 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,1,0,0,0,0|1,0,1]=3 854 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,1,0,0,0,0|1,0,1]=3 855 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,1,0,0,0,0|1,0,1]=3 856 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,1,0,0,0,0|1,0,1]=3 857 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,1,0,0,0,0|0,0,2]=3 858 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 859 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 860 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 861 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 862 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,1,0,0,0,0|0,0,3]=4 863 B11R0.40 CCCC=CC=NNC(=O)CC 4a_100000183195_100016266791 [0,1,0,0,0,0|2,0,1]=4 864 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|1,0,2]=4 865 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|1,0,2]=4 866 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|1,0,2]=4 867 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 868 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 869 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 870 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|1,0,2]=4 871 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|0,0,2]=3 872 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|0,0,2]=3 873 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|1,0,2]=4 874 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|1,0,2]=4 875 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|1,0,2]=4 876 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|1,0,2]=4 877 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|1,0,2]=4 878 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|0,1,2]=4 879 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|0,1,2]=4 880 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|1,0,2]=4 881 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|1,0,2]=4 882 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|1,0,2]=4 883 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|1,0,2]=4 884 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|1,0,2]=4 885 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|0,0,2]=3 886 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|1,0,2]=4 887 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|1,0,2]=4 888 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|1,0,2]=4 889 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|1,0,2]=4 890 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 891 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 892 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 893 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|1,0,2]=4 894 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|1,0,2]=4 895 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|1,0,2]=4 896 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|1,0,2]=4 897 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|1,0,2]=4 898 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|1,0,2]=4 899 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|1,0,1]=3 900 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|1,0,1]=3 901 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|2,0,1]=4 902 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|2,0,1]=4 903 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|2,0,1]=4 904 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|2,0,1]=4 905 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|2,0,1]=4 906 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|2,0,1]=4 907 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|1,1,1]=4 908 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|1,1,1]=4 909 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|1,0,1]=3 910 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|2,0,1]=4 911 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|2,0,1]=4 912 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|2,0,1]=4 913 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|2,0,1]=4 914 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|2,0,1]=4 915 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|2,0,1]=4 916 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,1,0,0,0,0|3,0,0]=4 917 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|1,0,1]=3 918 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|1,0,1]=3 919 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|2,0,1]=4 920 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|2,0,1]=4 921 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|2,0,1]=4 922 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|2,0,1]=4 923 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|2,0,1]=4 924 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|1,1,1]=4 925 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|1,1,1]=4 926 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,1,0,0,0,0|2,0,1]=4 927 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,1,0,0,0,0|2,0,1]=4 928 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,1,0,0,0,0|2,0,1]=4 929 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,1,0,0,0,0|2,0,1]=4 930 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|1,0,1]=3 931 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|2,0,1]=4 932 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|2,0,1]=4 933 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|2,0,1]=4 934 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|2,0,1]=4 935 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,1,0,0,0,0|2,0,1]=4 936 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,1,0,0,0,0|2,0,1]=4 937 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,1,0,0,0,0|2,0,1]=4 938 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,1,0,0,0,0|2,0,1]=4 939 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,1,0,0,0,0|2,0,1]=4 940 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,1,0,0,0,0|2,0,1]=4 941 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,1,0,0,0,0|2,0,1]=4 942 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,1,0,0,0,0|2,0,1]=4 943 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,1,0,0,0,0|2,0,1]=4 944 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,1,0,0,0,0|2,0,1]=4 945 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,1,0,0,0,0|2,0,1]=4 946 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,1,0,0,0,0|2,0,1]=4 947 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,1,0,0,0,0|2,0,1]=4 948 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,1,0,0,0,0|2,0,1]=4 949 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,1,0,0,0,0|2,0,1]=4 950 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,1,0,0,0,0|2,0,1]=4 951 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,1,0,0,0,0|2,0,1]=4 952 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,1,0,0,0,0|2,0,1]=4 953 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,1,0,0,0,0|2,0,1]=4 954 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,1,0,0,0,0|2,0,1]=4 955 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,1,0,0,0,0|2,0,1]=4 956 B11R0.42 C/C=C/CSCOC(=O)C(C)C 62a_100000139345_100102629194 [0,1,0,0,0,0|1,0,2]=4 957 B11R0.42 C/C=C/CSCOC(=O)C(C)C 62a_100102629194_100000139345 [0,1,0,0,0,0|1,0,2]=4 958 B11R0.42 C=C(C)C(=O)OCCCOCC 7a_100000032641_100000210202 [0,1,0,0,0,0|1,0,2]=4 959 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,1,0,0,0,0|1,0,2]=4 960 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,1,0,0,0,0|1,0,2]=4 961 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,1,0,0,0,0|1,0,2]=4 962 B11R0.42 CC/C=C\CCNC(C)C(C)C 2230a_100000211541_100015370543 [0,1,0,0,0,0|2,0,1]=4 963 B11R0.42 CC/C=C\CCOC(C)C(=O)C 34a_100000212229_100015370543 [0,1,0,0,0,0|1,0,2]=4 964 B11R0.42 CC/C=C\CCOC(C)C(=O)C 7a_100016288707_100000179758 [0,1,0,0,0,0|1,0,2]=4 965 B11R0.42 CC/C=C\CCOC(C)C(C)C 7a_100000748068_100015370543 [0,1,0,0,0,0|1,0,1]=3 966 B11R0.42 CC/C=C\CNCC(=O)N(C)C 2230a_100015183351_100103147603 [0,1,0,0,0,0|3,0,0]=4 967 B11R0.42 CC/C=C\COCC(=O)C(=O)C 34a_100016268518_100011261029 [0,1,0,0,0,0|2,0,1]=4 968 B11R0.42 CC/C=C\COCC(=O)C(C)C 34a_100016268518_100000753385 [0,1,0,0,0,0|2,0,0]=3 969 B11R0.42 CC/C=C\COCC(=O)N(C)C 34a_100016268518_100000692301 [0,1,0,0,0,0|3,0,0]=4 970 B11R0.42 CC/C=C\CSCC(=O)C(=O)C 62a_100011261029_100103147603 [0,1,0,0,0,0|2,0,1]=4 971 B11R0.42 CC/C=C\CSCC(=O)C(=O)C 62a_100103147603_100011261029 [0,1,0,0,0,0|2,0,1]=4 972 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100000753385_100103147603 [0,1,0,0,0,0|2,0,0]=3 973 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100103147603_100000753385 [0,1,0,0,0,0|2,0,0]=3 974 B11R0.42 CC/C=C\CSCC(=O)N(C)C 62a_100000692301_100103147603 [0,1,0,0,0,0|3,0,0]=4 975 B11R0.42 CC/C=C\CSCC(=O)N(C)C 62a_100103147603_100000692301 [0,1,0,0,0,0|3,0,0]=4 976 B11R0.42 CC=CCSCOC(=O)C(C)C 62a_100000070051_100000139345 [0,1,0,0,0,0|1,0,2]=4 977 B11R0.42 CC=CCSCOC(=O)C(C)C 62a_100000139345_100000070051 [0,1,0,0,0,0|1,0,2]=4 978 B11R0.42 CCC=CC=NNC(=O)C(C)C 4a_100000184118_100011216943 [0,1,0,0,0,0|2,0,1]=4 979 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|1,0,2]=4 980 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|1,0,2]=4 981 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|1,0,2]=4 982 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|1,0,2]=4 983 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|1,0,2]=4 984 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 985 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 986 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 987 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,0,0,0,0|1,0,2]=4 988 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 989 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 990 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 991 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,0,0,0,0|1,0,2]=4 992 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,0,0,0,0|1,0,2]=4 993 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,0,0,0,0|1,0,2]=4 994 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,0,0,0,0|1,0,2]=4 995 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [0,1,0,0,0,0|1,0,2]=4 996 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [0,1,0,0,0,0|1,0,2]=4 997 B11R0.42 CCCNCCNC(=O)C(C)C 2230a_100000752568_100000210303 [0,1,0,0,0,0|2,0,1]=4 998 B11R0.42 CCCNCCNC(=O)C(C)C 34a_100000752568_100000210303 [0,1,0,0,0,0|2,0,1]=4 999 B11R0.42 CCCOCCNC(=O)C(C)C 1626a_100161115042_100000210198 [0,1,0,0,0,0|2,0,1]=4 1000 B11R0.42 CCCOCCNC(=O)C(C)C 240690a_100161115042_100000210198 [0,1,0,0,0,0|2,0,1]=4 1001 B11R0.42 CCCOCCNC(=O)C(C)C 527a_100161115042_100000210198 [0,1,0,0,0,0|2,0,1]=4 1002 B11R0.42 CCCOCCNC(=O)C(C)F 1626a_100161115042_100000062450 [0,1,0,0,0,0|2,0,1]=4 1003 B11R0.42 CCCOCCNC(=O)C(C)F 240690a_100161115042_100000062450 [0,1,0,0,0,0|2,0,1]=4 1004 B11R0.42 CCCOCCNC(=O)C(C)F 527a_100161115042_100000062450 [0,1,0,0,0,0|2,0,1]=4 1005 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,1,0,0,0,0|2,0,1]=4 1006 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,1,0,0,0,0|2,0,1]=4 1007 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,1,0,0,0,0|2,0,1]=4 1008 B11R0.42 CCCSCCNC(=O)C(C)C 11a_100020603323_100000210198 [0,1,0,0,0,0|2,0,1]=4 1009 B11R0.42 CCCSCCNC(=O)C(C)C 240690a_100020603323_100000210198 [0,1,0,0,0,0|2,0,1]=4 1010 B11R0.42 CCCSCCNC(=O)C(C)C 527a_100020603323_100000210198 [0,1,0,0,0,0|2,0,1]=4 1011 B11R0.42 CCCSCCNC(=O)C(C)F 11a_100020603323_100000062450 [0,1,0,0,0,0|2,0,1]=4 1012 B11R0.42 CCCSCCNC(=O)C(C)F 240690a_100020603323_100000062450 [0,1,0,0,0,0|2,0,1]=4 1013 B11R0.42 CCCSCCNC(=O)C(C)F 527a_100020603323_100000062450 [0,1,0,0,0,0|2,0,1]=4 1014 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,1,0,0,0,0|2,0,1]=4 1015 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,1,0,0,0,0|2,0,1]=4 1016 B11R0.42 CCOCCCNC(=O)C(C)C 11a_100000210961_100000210198 [0,1,0,0,0,0|2,0,1]=4 1017 B11R0.42 CCOCCCNC(=O)C(C)C 1626a_100000210961_100000210198 [0,1,0,0,0,0|2,0,1]=4 1018 B11R0.42 CCOCCCNC(=O)C(C)C 240690a_100000210961_100000210198 [0,1,0,0,0,0|2,0,1]=4 1019 B11R0.42 CCOCCCNC(=O)C(C)C 527a_100000210961_100000210198 [0,1,0,0,0,0|2,0,1]=4 1020 B11R0.42 CCOCCCNC(=O)C(C)F 11a_100000210961_100000062450 [0,1,0,0,0,0|2,0,1]=4 1021 B11R0.42 CCOCCCNC(=O)C(C)F 1626a_100000210961_100000062450 [0,1,0,0,0,0|2,0,1]=4 1022 B11R0.42 CCOCCCNC(=O)C(C)F 240690a_100000210961_100000062450 [0,1,0,0,0,0|2,0,1]=4 1023 B11R0.42 CCOCCCNC(=O)C(C)F 527a_100000210961_100000062450 [0,1,0,0,0,0|2,0,1]=4 1024 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,1,0,0,0,0|2,0,1]=4 1025 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,1,0,0,0,0|2,0,1]=4 1026 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,1,0,0,0,0|2,0,1]=4 1027 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000139345_100000739092 [0,1,0,0,0,0|2,0,1]=4 1028 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000739092_100000139345 [0,1,0,0,0,0|2,0,1]=4 1029 B11R0.49 CC/C=C\CCNC(C)(C)CC 2230a_100000211385_100015370543 [0,1,0,0,0,0|2,0,1]=4 1030 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100000210230_100015370543 [0,1,0,0,0,0|1,0,1]=3 1031 B11R0.49 CC/C=C\CCOC(C)(C)CC 7a_100016288707_100000210677 [0,1,0,0,0,0|1,0,1]=3 1032 B11R0.49 CC/C=C\CCOC(C)(C)CCl 7a_100000764493_100015370543 [0,1,0,0,0,0|2,0,1]=4 1033 B11R0.49 CC/C=C\CCSC(C)(C)CC 62a_100000032637_100015370543 [0,1,0,0,0,0|1,1,1]=4 1034 B11R0.49 CC/C=C\CCSC(C)(C)CC 62a_100015370543_100000032637 [0,1,0,0,0,0|1,1,1]=4 1035 B11R0.70 CCC=CC(=O)NNC(=O)CC 22a_100000183195_100000212282 [0,1,0,0,0,0|2,0,1]=4 1036 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,0,0,0,0|1,0,2]=4 1037 B11R0.70 CCCOC(C)CNC(=O)CC 11a_100015185124_100000210414 [0,1,0,0,0,0|2,0,1]=4 1038 B11R0.70 CCCOC(C)CNC(=O)CC 1626a_100015185124_100000210414 [0,1,0,0,0,0|2,0,1]=4 1039 B11R0.70 CCCOC(C)CNC(=O)CC 240690a_100015185124_100000210414 [0,1,0,0,0,0|2,0,1]=4 1040 B11R0.70 CCCOC(C)CNC(=O)CC 527a_100015185124_100000210414 [0,1,0,0,0,0|2,0,1]=4 1041 B11R0.70 CCOCC(O)CNC(=O)CC 240690a_102515437182_100000210414 [0,1,0,0,0,0|2,0,1]=4 1042 B11R0.70 CCOCC(O)CNC(=O)CC 527a_102515437182_100000210414 [0,1,0,0,0,0|2,0,1]=4 1043 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,1,0,0,0,0|2,0,1]=4 1044 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,1,0,0,0,0|2,0,1]=4 1045 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,1,0,0,0,0|2,0,1]=4 1046 B11R0.106 CCC(=O)CSCOC(=O)OC 62a_100000747405_100000139417 [0,1,0,0,0,0|2,0,1]=4 1047 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 1048 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 1049 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 1050 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,1,0,0,0,0|2,0,1]=4 1051 B11R0.106 CCC(=O)NCCNC(=O)CC 11a_100132302217_100000210414 [0,1,0,0,0,0|2,0,0]=3 1052 B11R0.106 CCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210414 [0,1,0,0,0,0|2,0,0]=3 1053 B11R0.106 CCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210414 [0,1,0,0,0,0|2,0,0]=3 1054 B11R0.106 CCC(=O)NCCNC(=O)CC 527a_100132302217_100000210414 [0,1,0,0,0,0|2,0,0]=3 1055 B11R0.106 CCC(=O)NCCNC(=O)CO 240690a_100132302217_100000210174 [0,1,0,0,0,0|3,0,0]=4 1056 B11R0.106 CCC(=O)NCCNC(=O)CO 527a_100132302217_100000210174 [0,1,0,0,0,0|3,0,0]=4 1057 B11R0.106 CCC(=O)NCCNC(=O)NC 11a_100015205895_100000210414 [0,1,0,0,0,0|3,0,0]=4 1058 B11R0.106 CCC(=O)NCCNC(=O)NC 240690a_100015205895_100000210414 [0,1,0,0,0,0|3,0,0]=4 1059 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100102657272_100132302217 [0,1,0,0,0,0|3,0,0]=4 1060 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100132302217_106832991635 [0,1,0,0,0,0|3,0,0]=4 1061 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100102657272_100132302217 [0,1,0,0,0,0|3,0,0]=4 1062 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100132302217_100102657272 [0,1,0,0,0,0|3,0,0]=4 1063 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_100132302217_100102657272 [0,1,0,0,0,0|3,0,0]=4 1064 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_106832991638_100132302217 [0,1,0,0,0,0|3,0,0]=4 1065 B11R0.106 CCC(=O)NCCNC(=O)NC 527a_100015205895_100000210414 [0,1,0,0,0,0|3,0,0]=4 1066 B11R0.106 CCC(=O)NCCNC(C)CC 34a_100132302217_100011215416 [0,1,0,0,0,0|2,0,1]=4 1067 B11R0.106 CCC(=O)NCCOC(C)CC 34a_200000158885_100011215416 [0,1,0,0,0,0|2,0,1]=4 1068 B11R0.106 CCC(=O)NCCOC(C)CC 7a_200000158885_100000758301 [0,1,0,0,0,0|2,0,1]=4 1069 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,1,0,0,0,0|1,0,1]=3 1070 B11R0.106 CCC(=O)OCCOC(C)CO 7a_200000031056_100012180447 [0,1,0,0,0,0|2,0,1]=4 1071 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,1,0,0,0,0|2,0,1]=4 1072 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,1,0,0,0,0|2,0,1]=4 1073 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,1,0,0,0,0|2,0,1]=4 1074 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,1,0,0,0,0|2,0,1]=4 1075 B11R0.111 C=C(C)COCCOC(=O)CC 7a_200000031056_100000748629 [0,1,0,0,0,0|1,0,2]=4 1076 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,1,0,0,0,0|1,0,2]=4 1077 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,1,0,0,0,0|1,0,2]=4 1078 B11R0.111 CCC(=O)NCCCOC(C)C 11a_100000737246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1079 B11R0.111 CCC(=O)NCCCOC(C)C 1626a_100000737246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1080 B11R0.111 CCC(=O)NCCCOC(C)C 240690a_100000737246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1081 B11R0.111 CCC(=O)NCCCOC(C)C 527a_100000737246_100000210414 [0,1,0,0,0,0|2,0,1]=4 1082 B11R0.111 CCC(=O)NCCNCC(C)C 270004a_100132302217_100000210432 [0,1,0,0,0,0|2,0,1]=4 1083 B11R0.111 CCC(=O)NCCNCC(C)C 34a_100132302217_100000210624 [0,1,0,0,0,0|2,0,1]=4 1084 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,1,0,0,0,0|2,0,1]=4 1085 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,1,0,0,0,0|2,0,1]=4 1086 B11R0.111 CCC(=O)NCCOCC(C)C 34a_200000158885_100000210624 [0,1,0,0,0,0|2,0,1]=4 1087 B11R0.111 CCC(=O)NCCOCC(C)C 7a_200000158885_100000210760 [0,1,0,0,0,0|2,0,1]=4 1088 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,1,0,0,0,0|2,0,1]=4 1089 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,1,0,0,0,0|2,0,1]=4 1090 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,1,0,0,0,0|2,0,1]=4 1091 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,1,0,0,0,0|2,0,1]=4 1092 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,1,0,0,0,0|1,0,1]=3 1093 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,1,0,0,0,0|1,0,1]=3 1094 B11R0.111 CCC(=O)OCCOCC(F)F 7a_200000031056_100011934356 [0,1,0,0,0,0|2,0,1]=4 1095 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,1,0,0,0,0|1,0,1]=3 1096 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,1,0,0,0,0|2,0,1]=4 1097 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,1,0,0,0,0|2,0,1]=4 1098 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,1,0,0,0,0|2,0,1]=4 1099 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,1,0,0,0,0|2,0,1]=4 1100 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,1,0,0,0,0|2,0,1]=4 1101 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,1,0,0,0,0|2,0,1]=4 1102 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,1,0,0,0,0|2,0,1]=4 1103 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,1,0,0,0,0|2,0,1]=4 1104 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,1,0,0,0,0|2,0,1]=4 1105 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,1,0,0,0,0|2,0,1]=4 1106 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,1,0,0,0,0|2,0,1]=4 1107 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,1,0,0,0,0|2,0,1]=4 1108 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,1,0,0,0,0|2,0,1]=4 1109 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,1,0,0,0,0|2,0,1]=4 1110 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,1,0,0,0,0|2,0,1]=4 1111 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,1,0,0,0,0|2,0,1]=4 1112 B11R0.124 C#CC(CC)OCC/C=C\CC 34a_100000758843_100015370543 [0,1,0,0,0,0|1,0,1]=3 1113 B11R0.124 C#CC(CC)OCC/C=C\CC 7a_100000758843_100015370543 [0,1,0,0,0,0|1,0,1]=3 1114 B11R0.124 C=CC(CC)OCC/C=C\CC 34a_100000766422_100015370543 [0,1,0,0,0,0|1,0,1]=3 1115 B11R0.124 C=CC(CC)OCC/C=C\CC 7a_100000766422_100015370543 [0,1,0,0,0,0|1,0,1]=3 1116 B11R0.124 CC/C=C\CCNC(CC)CC 2230a_100000199018_100015370543 [0,1,0,0,0,0|2,0,1]=4 1117 B11R0.124 CC/C=C\CCN[C@@H](CC)CO 2230a_100000709445_100015370543 [0,1,0,0,0,0|1,0,2]=4 1118 B11R0.124 CC/C=C\CCOC(C=O)C=O 34a_100016288707_100000736813 [0,1,0,0,0,0|1,0,2]=4 1119 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100000688536_100015370543 [0,1,0,0,0,0|1,0,1]=3 1120 B11R0.124 CC/C=C\CCOC(CC)CC 7a_100016288707_100000210505 [0,1,0,0,0,0|1,0,1]=3 1121 B11R0.124 CC/C=C\CCOC(CCl)CCl 7a_100000737055_100015370543 [0,1,0,0,0,0|2,0,1]=4 1122 B11R0.124 CC/C=C\CCOC(CF)CF 34a_100000032261_100015370543 [0,1,0,0,0,0|2,0,1]=4 1123 B11R0.124 CC/C=C\CCOC(CF)CF 7a_100000032261_100015370543 [0,1,0,0,0,0|2,0,1]=4 1124 B11R0.124 CC/C=C\CCOC(CN)CN 34a_100000031598_100015370543 [0,1,0,0,0,0|2,0,1]=4 1125 B11R0.124 CC/C=C\CCO[C@@H](CF)CCl 34a_100015614560_100015370543 [0,1,0,0,0,0|2,0,1]=4 1126 B11R0.124 CC/C=C\CCO[C@@H](CF)CCl 7a_100015614560_100015370543 [0,1,0,0,0,0|2,0,1]=4 1127 B11R0.124 CC/C=C\CCSC(CC)CC 62a_100000210505_100015370543 [0,1,0,0,0,0|1,1,1]=4 1128 B11R0.124 CC/C=C\CCSC(CC)CC 62a_100015370543_100000210505 [0,1,0,0,0,0|1,1,1]=4 1129 B11R0.142 C/C=C(\C)/C(=O)CC/C=C\CC 1458a_100020587367_100015370543 [0,1,0,0,0,0|2,0,1]=4 1130 B11R0.142 CC/C=C\CCC(=O)C(=O)NC 1458a_100011218921_100015370543 [0,1,0,0,0,0|2,0,0]=3 1131 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [0,1,0,0,0,0|2,0,1]=4 1132 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,1,0,0,0,0|1,0,2]=4 1133 B11R0.142 CC/C=C\CCN(C)C(C)CC 2230a_100000741768_100015370543 [0,1,0,0,0,0|2,0,1]=4 1134 B11R0.142 CC/C=C\CCN(C)C(C)CC 269982a_100000741768_100015370543 [0,1,0,0,0,0|2,0,1]=4 1135 B11R0.142 CC/C=C\CN[C@H](C)C(=O)NC 2230a_100000684985_100103147603 [0,1,0,0,0,0|3,0,0]=4 1136 B11R0.142 CC/C=C\CN[C@H](C)C(=O)NC 34a_100000684985_100103147603 [0,1,0,0,0,0|3,0,0]=4 1137 B11R0.142 CC/C=C\COC(C)C(=O)NC 34a_100016268518_100000731044 [0,1,0,0,0,0|3,0,0]=4 1138 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100011215400_100103147603 [0,1,0,0,0,0|3,0,0]=4 1139 B11R0.142 CC/C=C\COC(C)C(=O)OC 34a_100016268518_100000211248 [0,1,0,0,0,0|3,0,0]=4 1140 B11R0.142 CC/C=C\COC(F)C(=O)NC 34a_100016268518_100009813575 [0,1,0,0,0,0|3,0,0]=4 1141 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100000742827_100103147603 [0,1,0,0,0,0|2,0,0]=3 1142 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100103147603_100000742827 [0,1,0,0,0,0|2,0,0]=3 1143 B11R0.142 CC/C=C\CSC(C)C(=O)NC 62a_100000209862_100103147603 [0,1,0,0,0,0|3,0,0]=4 1144 B11R0.142 CC/C=C\CSC(C)C(=O)NC 62a_100103147603_100000731044 [0,1,0,0,0,0|3,0,0]=4 1145 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100000211248_100103147603 [0,1,0,0,0,0|3,0,0]=4 1146 B11R0.142 CC/C=C\CSC(C)C(=O)OC 62a_100103147603_100000211248 [0,1,0,0,0,0|3,0,0]=4 1147 B11R0.142 CC/C=C\CSC(F)C(=O)NC 62a_100009813575_100103147603 [0,1,0,0,0,0|3,0,0]=4 1148 B11R0.142 CC/C=C\CSC(F)C(=O)NC 62a_100103147603_100009813575 [0,1,0,0,0,0|3,0,0]=4 1149 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|1,0,2]=4 1150 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|1,0,2]=4 1151 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 1152 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 1153 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 1154 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,0,0,0,0|1,0,2]=4 1155 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [0,1,0,0,0,0|1,0,1]=3 1156 B11R0.154 CC/C=C/CC(=O)CC(=O)NC 1458a_100016274230_100000183359 [0,1,0,0,0,0|2,0,1]=4 1157 B11R0.154 CC/C=C/CC(=O)CC(=O)OC 1458a_100016274230_100000747449 [0,1,0,0,0,0|2,0,1]=4 1158 B11R0.154 CC/C=C\CC(=O)C=C(C)CC 1458a_100020758463_100103147603 [0,1,0,0,0,0|2,0,1]=4 1159 B11R0.154 CC/C=C\CC(=O)CC(=O)OC 1458a_100000211351_100103147603 [0,1,0,0,0,0|2,0,1]=4 1160 B11R0.154 CC/C=C\CN(C)CC(=O)NC 2230a_100000189611_100103147603 [0,1,0,0,0,0|3,0,0]=4 1161 B11R0.154 CC/C=C\CN(C)CC(=O)OC 2230a_100000198492_100103147603 [0,1,0,0,0,0|3,0,0]=4 1162 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 1163 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 1164 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 1165 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,0,0,0,0|1,0,2]=4 1166 B11R0.174 C=CC(=O)OCCC(=O)C=CC 1458a_100000210699_100009813456 [0,1,0,0,0,0|0,0,3]=4 1167 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000065099_100000210303 [0,1,0,0,0,0|0,0,3]=4 1168 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000211992_100009813456 [0,1,0,0,0,0|0,0,3]=4 1169 B11R0.174 C=CC(=O)OCCC(=O)NCC 240690a_100015525214_100000065099 [0,1,0,0,0,0|1,0,2]=4 1170 B11R0.174 CC#CC(=O)CCOC(=O)NC 1458a_100000763181_200011997002 [0,1,0,0,0,0|1,0,2]=4 1171 B11R0.174 CC/C=C(\C)/C=NNC(=O)CC 4a_100000183195_100020678925 [0,1,0,0,0,0|2,0,1]=4 1172 B11R0.174 CC=CC(=O)CCCC(=O)NC 1458a_100000210699_100000741757 [0,1,0,0,0,0|2,0,1]=4 1173 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,1,0,0,0,0|2,0,1]=4 1174 B11R0.174 CC=CC(=O)CCOC(=O)NC 1458a_100000210699_200011997002 [0,1,0,0,0,0|1,0,1]=3 1175 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|2,0,1]=4 1176 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|2,0,1]=4 1177 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|2,0,1]=4 1178 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,0,0,0,0|1,0,1]=3 1179 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,1,0,0,0,0|2,0,1]=4 1180 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,1,0,0,0,0|2,0,1]=4 1181 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,1,0,0,0,0|2,0,1]=4 1182 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,1,0,0,0,0|2,0,0]=3 1183 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,1,0,0,0,0|3,0,0]=4 1184 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,1,0,0,0,0|3,0,0]=4 1185 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,1,0,0,0,0|3,0,0]=4 1186 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,1,0,0,0,0|3,0,0]=4 1187 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,1,0,0,0,0|3,0,0]=4 1188 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,1,0,0,0,0|3,0,0]=4 1189 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,1,0,0,0,0|3,0,0]=4 1190 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,1,0,0,0,0|3,0,0]=4 1191 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,1,0,0,0,0|2,0,0]=3 1192 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,1,0,0,0,0|2,0,0]=3 1193 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,1,0,0,0,0|2,0,0]=3 1194 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,1,0,0,0,0|2,0,0]=3 1195 B11R0.174 CCNC(=O)CCNC(=O)CO 240690a_100025743525_100000210174 [0,1,0,0,0,0|3,0,0]=4 1196 B11R0.174 CCNC(=O)CCNC(=O)CO 527a_100025743525_100000210174 [0,1,0,0,0,0|3,0,0]=4 1197 B11R0.174 CCNC(=O)CCNC(=O)NC 2708a_100102657272_100025743525 [0,1,0,0,0,0|3,0,0]=4 1198 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100025743525_100102657272 [0,1,0,0,0,0|3,0,0]=4 1199 B11R0.174 CCNC(=O)CCNC(=O)NC 273464a_100102657272_100025743525 [0,1,0,0,0,0|3,0,0]=4 1200 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_100025743525_100102657272 [0,1,0,0,0,0|3,0,0]=4 1201 B11R0.174 CCNC(=O)CCNC(=O)NC 512a_106832991638_100025743525 [0,1,0,0,0,0|3,0,0]=4 1202 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,1,0,0,0,0|2,0,1]=4 1203 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,1,0,0,0,0|3,0,0]=4 1204 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,1,0,0,0,0|3,0,0]=4 1205 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,1,0,0,0,0|3,0,0]=4 1206 B11R0.174 CCNC(=S)SCCC(=O)CC 1458a_200009862762_100000210202 [0,1,0,0,0,0|3,0,0]=4 1207 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,0|2,0,0]=3 1208 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,0|2,0,0]=3 1209 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,1,0,0,0,0|3,0,0]=4 1210 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,0|3,0,0]=4 1211 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,0|3,0,0]=4 1212 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,0|3,0,0]=4 1213 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,0|3,0,0]=4 1214 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,0|3,0,0]=4 1215 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,1,0,0,0,0|2,0,0]=3 1216 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,1,0,0,0,0|3,0,0]=4 1217 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,1,0,0,0,0|2,0,1]=4 1218 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,1,0,0,0,0|3,0,0]=4 1219 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,1,0,0,0,0|3,0,0]=4 1220 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,1,0,0,0,0|3,0,0]=4 1221 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,1,0,0,0,0|3,0,0]=4 1222 B11R0.174 CNC(=O)OCCC(=O)C=CBr 1458a_100016273825_200011997002 [0,1,0,0,0,0|2,0,1]=4 1223 B11R0.174 CNC(=O)OCCC(=O)C=CCl 1458a_200016279998_200011997002 [0,1,0,0,0,0|2,0,1]=4 1224 B11R0.174 CNC(=O)OCCC(=O)C=CI 1458a_100016256311_200011997002 [0,1,0,0,0,0|2,0,1]=4 1225 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,1,0,0,0,0|2,0,1]=4 1226 B11R0.174 CNC(=O)OCCC(=O)COC 1458a_100000210968_200011997002 [0,1,0,0,0,0|2,0,1]=4 1227 B11R0.174 CNC(=O)OCCC(=O)CSC 1458a_100000184570_200011997002 [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,0,0,1,0,0|2,0,1]=4 1229 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,0,0,1,0,0|2,0,1]=4 1230 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,0,0,1,0,0|2,0,1]=4 1231 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,0,0,1,0,0|2,0,1]=4 1232 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,0,0,1,0,0|2,0,1]=4 1233 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,0,0,1,0,0|2,0,1]=4 1234 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,0,0,1,0,0|2,0,1]=4 1235 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,0,0,1,0,0|2,0,1]=4 1236 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,0,0,1,0,0|2,0,1]=4 1237 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,1,0,0|1,0,2]=4 1238 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,1,0,0|1,0,2]=4 1239 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,0,0,1,0,0|2,0,1]=4 1240 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 1241 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 1242 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 1243 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,1,0,0|1,0,2]=4 1244 B11R1.25 CCC(=O)NCC1CCOC1 11a_100000737293_100000210414 [0,0,0,1,0,0|2,0,1]=4 1245 B11R1.25 CCC(=O)NCC1CCOC1 1626a_100000737293_100000210414 [0,0,0,1,0,0|2,0,1]=4 1246 B11R1.25 CCC(=O)NCC1CCOC1 240690a_100000737293_100000210414 [0,0,0,1,0,0|2,0,1]=4 1247 B11R1.25 CCC(=O)NCC1CCOC1 527a_100000737293_100000210414 [0,0,0,1,0,0|2,0,1]=4 1248 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,0,0,1,0,0|2,0,1]=4 1249 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,0,0,1,0,0|2,0,1]=4 1250 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,0,0,1,0,0|2,0,1]=4 1251 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,0,0,1,0,0|2,0,1]=4 1252 B11R1.25 CCC(=O)NN=C1C=CCC1 4a_100000183195_100000239507 [0,0,0,1,0,0|2,0,1]=4 1253 B11R1.27 CC/C=C\CN1CNC(=O)C1 2230a_200000708111_100103147603 [0,0,0,1,0,0|3,0,0]=4 1254 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,0,1,0,0|2,0,1]=4 1255 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,0,1,0,0|2,0,1]=4 1256 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,0,1,0,0|2,0,1]=4 1257 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,0|2,0,1]=4 1258 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,0|2,0,1]=4 1259 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,0|2,0,1]=4 1260 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,0|2,0,1]=4 1261 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,0|2,0,1]=4 1262 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,0|2,0,1]=4 1263 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,0|2,0,1]=4 1264 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,1,0,0|2,0,1]=4 1265 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,1,0,0|2,0,1]=4 1266 B11R1.40 CC(CO)OC1CC=CCC1 34a_100000073881_100012180447 [0,0,0,1,0,0|2,0,1]=4 1267 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,0,1,0,0|1,0,2]=4 1268 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,0,1,0,0|1,0,2]=4 1269 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,0,0,1,0,0|2,0,1]=4 1270 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,0,0,1,0,0|2,0,1]=4 1271 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,0,0,1,0,0|2,0,1]=4 1272 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,0,0,1,0,0|2,0,1]=4 1273 B11R1.40 CCC(=O)CN1CC=CCC1 269982a_100000698166_100000747405 [0,0,0,1,0,0|2,0,0]=3 1274 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 1275 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 1276 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 1277 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,0,1,0,0|1,0,2]=4 1278 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,0,0,1,0,0|2,0,1]=4 1279 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,0,0,1,0,0|2,0,1]=4 1280 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,0,0,1,0,0|2,0,1]=4 1281 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,0,0,1,0,0|2,0,1]=4 1282 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,0,0,1,0,0|2,0,1]=4 1283 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,0,0,1,0,0|2,0,1]=4 1284 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,0,0,1,0,0|2,0,1]=4 1285 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,0,0,1,0,0|2,0,1]=4 1286 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,0,0,1,0,0|2,0,1]=4 1287 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,0,0,1,0,0|2,0,1]=4 1288 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,0,0,1,0,0|2,0,1]=4 1289 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,0,0,1,0,0|2,0,1]=4 1290 B11R1.40 CCC(C)OC1CC=CCC1 34a_100000073881_100011215416 [0,0,0,1,0,0|1,0,1]=3 1291 B11R1.40 CNC(=O)CN1CC=CCC1 2230a_100000698166_100000183359 [0,0,0,1,0,0|3,0,0]=4 1292 B11R1.40 CNC(=O)CN1CC=CCC1 269982a_100000698166_100000183359 [0,0,0,1,0,0|3,0,0]=4 1293 B11R1.40 CNC(=O)CN1CC=CCC1 34a_100000698166_100000183359 [0,0,0,1,0,0|3,0,0]=4 1294 B11R1.40 COC(=O)CN1CC=CCC1 2230a_100000698166_100000747449 [0,0,0,1,0,0|3,0,0]=4 1295 B11R1.40 COC(=O)CN1CC=CCC1 269982a_100000698166_100000747449 [0,0,0,1,0,0|3,0,0]=4 1296 B11R1.40 COC(=O)CN1CC=CCC1 34a_100000698166_100000747449 [0,0,0,1,0,0|3,0,0]=4 1297 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [0,0,0,1,0,0|2,0,1]=4 1298 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [0,0,0,1,0,0|2,0,1]=4 1299 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [0,0,0,1,0,0|1,0,1]=3 1300 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [0,0,0,1,0,0|1,0,1]=3 1301 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [0,0,0,1,0,0|2,0,1]=4 1302 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [0,0,0,1,0,0|2,0,1]=4 1303 B11R1.47 CC/C=C\CCOC1CSC1 7a_100000072292_100015370543 [0,0,0,1,0,0|2,0,1]=4 1304 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [0,0,0,1,0,0|1,1,1]=4 1305 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,0,0,1,0,0|2,0,1]=4 1306 B11R1.59 CCC(=O)N1CC=CC1CC 11a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 1307 B11R1.59 CCC(=O)N1CC=CC1CC 1626a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 1308 B11R1.59 CCC(=O)N1CC=CC1CC 240690a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 1309 B11R1.59 CCC(=O)N1CC=CC1CC 527a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 1310 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 1311 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 1312 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 1313 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,0,0,1,0,0|1,0,2]=4 1314 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,1,0,0|2,0,1]=4 1315 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,1,0,0|2,0,1]=4 1316 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [0,0,0,1,0,0|2,0,1]=4 1317 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [0,0,0,1,0,0|2,0,1]=4 1318 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,0,0,1,0,0|2,0,0]=3 1319 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,0,0,1,0,0|2,0,0]=3 1320 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,0,0,1,0,0|2,0,0]=3 1321 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,1,0,0|2,0,1]=4 1322 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,1,0,0|2,0,1]=4 1323 B11R1.212 CCNN=C1COC(=O)C1C 4a_100000756455_200009850584 [0,0,0,1,0,0|2,0,1]=4 1324 B11R1.214 CCC=Cc1noc(n1)CC 270196a_100016260345_100000210414 [0,0,0,1,0,0|2,0,1]=4 1325 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,0,1,0,0|1,0,2]=4 1326 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 1327 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 1328 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 1329 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,0,0,1,0,0|1,0,2]=4 1330 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [0,0,0,1,0,0|2,0,1]=4 1331 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [0,0,0,1,0,0|2,0,1]=4 1332 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [0,0,0,1,0,0|2,0,1]=4 1333 B11R1.236 CCC(=O)NCCN1CCC1 240690a_100000691440_100000210414 [0,0,0,1,0,0|2,0,1]=4 1334 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,0,0,1,0,0|2,0,1]=4 1335 B11R1.237 CCC(=O)NCCNC1CC1 34a_100132302217_100000211595 [0,0,0,1,0,0|2,0,1]=4 1336 B11R1.237 CCC(=O)NCCOC1CC1 34a_200000158885_100000211595 [0,0,0,1,0,0|2,0,1]=4 1337 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,0,0,1,0,0|2,0,1]=4 1338 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,0,0,1,0,0|2,0,1]=4 1339 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,0,0,1,0,0|2,0,1]=4 1340 B11R1.320 CC/C=C\CCNC1(CC1)C 2230a_100000757604_100015370543 [0,0,0,1,0,0|2,0,1]=4 1341 B11R1.320 CC/C=C\CCOC1(CC1)C 7a_100011725673_100015370543 [0,0,0,1,0,0|1,0,1]=3 1342 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,0,0,1,0,0|1,0,0]=2 1343 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,0,1,0,0|1,0,2]=4 1344 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,0,1,0,0|1,0,2]=4 1345 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 1346 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 1347 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 1348 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,0,1,0,0|1,0,2]=4 1349 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [0,0,0,1,0,0|2,0,1]=4 1350 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [0,0,0,1,0,0|2,0,1]=4 1351 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [0,0,0,1,0,0|2,0,1]=4 1352 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [0,0,0,1,0,0|2,0,1]=4 1353 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [0,0,0,1,0,0|2,0,0]=3 1354 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [0,0,0,1,0,0|2,0,0]=3 1355 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [0,0,0,1,0,0|2,0,0]=3 1356 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [0,0,0,1,0,0|2,0,0]=3 1357 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [0,0,0,1,0,0|2,0,0]=3 1358 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [2,0,0,0,0,0|0,0,2]=4 1359 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|0,0,1]=3 1360 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [2,0,0,0,0,0|1,0,1]=4 1361 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [2,0,0,0,0,0|1,0,1]=4 1362 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [2,0,0,0,0,0|1,0,1]=4 1363 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 1364 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 1365 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 1366 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 1367 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,0]=3 1368 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|0,0,0]=2 1369 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|0,0,0]=2 1370 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|0,0,0]=2 1371 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [2,0,0,0,0,0|1,0,0]=3 1372 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [2,0,0,0,0,0|1,0,0]=3 1373 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|0,1,0]=3 1374 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|0,1,0]=3 1375 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [2,0,0,0,0,0|1,1,0]=4 1376 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [2,0,0,0,0,0|1,1,0]=4 1377 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [2,0,0,0,0,0|2,0,0]=4 1378 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [2,0,0,0,0,0|1,0,1]=4 1379 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|0,0,1]=3 1380 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|0,0,1]=3 1381 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [2,0,0,0,0,0|1,0,1]=4 1382 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [2,0,0,0,0,0|1,0,1]=4 1383 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [2,0,0,0,0,0|1,0,1]=4 1384 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [2,0,0,0,0,0|1,0,1]=4 1385 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [2,0,0,0,0,0|2,0,0]=4 1386 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [2,0,0,0,0,0|2,0,0]=4 1387 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|0,1,1]=4 1388 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|0,1,1]=4 1389 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [2,0,0,0,0,0|0,0,2]=4 1390 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|0,0,2]=4 1391 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [2,0,0,0,0,0|0,0,2]=4 1392 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [2,0,0,0,0,0|0,0,2]=4 1393 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [2,0,0,0,0,0|0,0,2]=4 1394 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [2,0,0,0,0,0|0,0,2]=4 1395 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,2]=4 1396 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,2]=4 1397 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,2]=4 1398 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|0,0,2]=4 1399 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|0,0,2]=4 1400 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|0,0,2]=4 1401 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1402 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 1403 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|1,0,1]=4 1404 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|1,0,1]=4 1405 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|1,0,1]=4 1406 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1407 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,1]=4 1408 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1409 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,1]=4 1410 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 1411 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 1412 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|1,0,1]=4 1413 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|1,0,1]=4 1414 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|1,0,1]=4 1415 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|1,0,1]=4 1416 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|1,0,1]=4 1417 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1418 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,0,1]=4 1419 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,0,1]=4 1420 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 1421 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 1422 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|1,0,1]=4 1423 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 1424 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 1425 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|1,0,1]=4 1426 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 1427 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 1428 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|1,0,1]=4 1429 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|1,0,1]=4 1430 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 1431 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [2,0,0,0,0,0|1,0,1]=4 1432 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [2,0,0,0,0,0|2,0,0]=4 1433 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|1,0,1]=4 1434 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|1,0,1]=4 1435 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [2,0,0,0,0,0|2,0,0]=4 1436 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [2,0,0,0,0,0|2,0,0]=4 1437 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|0,0,0]=2 1438 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [2,0,0,0,0,0|2,0,0]=4 1439 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [2,0,0,0,0,0|2,0,0]=4 1440 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [2,0,0,0,0,0|1,0,1]=4 1441 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [2,0,0,0,0,0|1,0,1]=4 1442 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [2,0,0,0,0,0|2,0,0]=4 1443 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 1444 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 1445 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,2]=4 1446 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,2]=4 1447 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,2]=4 1448 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,1]=4 1449 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,1]=4 1450 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,1]=4 1451 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,1]=4 1452 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,1]=4 1453 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,1]=4 1454 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,1]=4 1455 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|1,0,1]=4 1456 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,1]=4 1457 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,1]=4 1458 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|1,0,1]=4 1459 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|1,0,1]=4 1460 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 1461 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 1462 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,1]=4 1463 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,1]=4 1464 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,1]=4 1465 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,1]=4 1466 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 1467 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 1468 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 1469 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 1470 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 1471 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|1,0,0]=3 1472 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [2,0,0,0,0,0|2,0,0]=4 1473 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [2,0,0,0,0,0|2,0,0]=4 1474 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,1]=4 1475 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,1]=4 1476 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 1477 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 1478 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 1479 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 1480 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 1481 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 1482 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|1,0,0]=3 1483 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|1,0,0]=3 1484 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [2,0,0,0,0,0|2,0,0]=4 1485 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [2,0,0,0,0,0|2,0,0]=4 1486 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|1,0,1]=4 1487 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|1,0,1]=4 1488 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|1,0,1]=4 1489 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|1,0,1]=4 1490 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|1,0,1]=4 1491 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [2,0,0,0,0,0|0,0,2]=4 1492 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [2,0,0,0,0,0|0,0,2]=4 1493 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [2,0,0,0,0,0|1,0,1]=4 1494 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [2,0,0,0,0,0|1,0,1]=4 1495 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [2,0,0,0,0,0|0,0,2]=4 1496 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|1,0,0]=3 1497 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|1,0,0]=3 1498 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [2,0,0,0,0,0|2,0,0]=4 1499 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [2,0,0,0,0,0|2,0,0]=4 1500 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [2,0,0,0,0,0|2,0,0]=4 1501 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [2,0,0,0,0,0|2,0,0]=4 1502 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [2,0,0,0,0,0|2,0,0]=4 1503 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [2,0,0,0,0,0|2,0,0]=4 1504 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [2,0,0,0,0,0|1,0,0]=3 1505 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [2,0,0,0,0,0|1,0,0]=3 1506 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [2,0,0,0,0,0|1,0,0]=3 1507 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [2,0,0,0,0,0|1,0,0]=3 1508 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [2,0,0,0,0,0|2,0,0]=4 1509 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [2,0,0,0,0,0|2,0,0]=4 1510 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [2,0,0,0,0,0|2,0,0]=4 1511 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [2,0,0,0,0,0|2,0,0]=4 1512 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [2,0,0,0,0,0|2,0,0]=4 1513 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [2,0,0,0,0,0|2,0,0]=4 1514 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [2,0,0,0,0,0|2,0,0]=4 1515 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [2,0,0,0,0,0|2,0,0]=4 1516 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [2,0,0,0,0,0|1,0,1]=4 1517 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [2,0,0,0,0,0|1,0,1]=4 1518 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [2,0,0,0,0,0|2,0,0]=4 1519 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [2,0,0,0,0,0|2,0,0]=4 1520 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [2,0,0,0,0,0|2,0,0]=4 1521 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [2,0,0,0,0,0|2,0,0]=4 1522 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [2,0,0,0,0,0|2,0,0]=4 1523 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [2,0,0,0,0,0|1,0,1]=4 1524 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|0,0,0]=2 1525 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [2,0,0,0,0,0|1,0,0]=3 1526 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [2,0,0,0,0,0|1,0,0]=3 1527 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [2,0,0,0,0,0|1,0,0]=3 1528 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [2,0,0,0,0,0|1,0,0]=3 1529 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [2,0,0,0,0,0|1,0,0]=3 1530 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|0,0,0]=2 1531 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [2,0,0,0,0,0|1,0,0]=3 1532 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [2,0,0,0,0,0|2,0,0]=4 1533 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [2,0,0,0,0,0|2,0,0]=4 1534 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [2,0,0,0,0,0|1,0,1]=4 1535 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|0,0,2]=4 1536 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,1]=4 1537 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,1]=4 1538 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,1]=4 1539 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,1]=4 1540 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,1]=4 1541 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,1]=4 1542 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1543 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1544 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1545 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 1546 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 1547 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 1548 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 1549 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 1550 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 1551 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 1552 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 1553 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 1554 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 1555 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 1556 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 1557 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1558 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1559 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1560 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 1561 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|1,0,0]=3 1562 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|1,0,0]=3 1563 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [2,0,0,0,0,0|2,0,0]=4 1564 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|1,0,1]=4 1565 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|0,0,2]=4 1566 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,1]=3 1567 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,1]=3 1568 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,1]=4 1569 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,1]=4 1570 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,1]=4 1571 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 1572 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 1573 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,1]=4 1574 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1575 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1576 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1577 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 1578 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 1579 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 1580 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 1581 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 1582 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 1583 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 1584 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 1585 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 1586 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [2,0,0,0,0,0|1,0,1]=4 1587 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [2,0,0,0,0,0|1,0,1]=4 1588 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [2,0,0,0,0,0|1,0,1]=4 1589 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 1590 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,1]=4 1591 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,1]=4 1592 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,1]=4 1593 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,1]=4 1594 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,1]=4 1595 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 1596 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 1597 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 1598 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|2,0,0]=4 1599 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [2,0,0,0,0,0|1,0,1]=4 1600 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|1,0,0]=3 1601 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|1,0,0]=3 1602 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|2,0,0]=4 1603 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 1604 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 1605 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 1606 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 1607 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 1608 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 1609 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 1610 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|2,0,0]=4 1611 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|1,0,0]=3 1612 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|1,0,0]=3 1613 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [2,0,0,0,0,0|2,0,0]=4 1614 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 1615 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 1616 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 1617 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 1618 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 1619 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 1620 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 1621 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|2,0,0]=4 1622 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|2,0,0]=4 1623 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 1624 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [2,0,0,0,0,0|2,0,0]=4 1625 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [2,0,0,0,0,0|2,0,0]=4 1626 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [2,0,0,0,0,0|2,0,0]=4 1627 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [2,0,0,0,0,0|2,0,0]=4 1628 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [2,0,0,0,0,0|2,0,0]=4 1629 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [2,0,0,0,0,0|2,0,0]=4 1630 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [2,0,0,0,0,0|2,0,0]=4 1631 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 1632 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 1633 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [1,1,0,0,0,0|0,0,2]=4 1634 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [1,1,0,0,0,0|1,0,1]=4 1635 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [1,1,0,0,0,0|1,0,1]=4 1636 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [1,1,0,0,0,0|1,0,1]=4 1637 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [1,1,0,0,0,0|1,0,1]=4 1638 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [1,1,0,0,0,0|1,0,1]=4 1639 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [1,1,0,0,0,0|1,0,1]=4 1640 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [1,1,0,0,0,0|0,0,1]=3 1641 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [1,1,0,0,0,0|1,0,1]=4 1642 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|1,0,1]=4 1643 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [1,1,0,0,0,0|1,0,1]=4 1644 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [1,1,0,0,0,0|1,0,1]=4 1645 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|0,0,1]=3 1646 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [1,1,0,0,0,0|1,0,1]=4 1647 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [1,1,0,0,0,0|0,1,1]=4 1648 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [1,1,0,0,0,0|1,0,1]=4 1649 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|2,0,0]=4 1650 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|2,0,0]=4 1651 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [1,1,0,0,0,0|2,0,0]=4 1652 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [1,1,0,0,0,0|2,0,0]=4 1653 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [1,1,0,0,0,0|2,0,0]=4 1654 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [1,1,0,0,0,0|2,0,0]=4 1655 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [1,1,0,0,0,0|2,0,0]=4 1656 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [1,1,0,0,0,0|2,0,0]=4 1657 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [1,1,0,0,0,0|2,0,0]=4 1658 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [1,1,0,0,0,0|1,1,0]=4 1659 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|2,0,0]=4 1660 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|2,0,0]=4 1661 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|2,0,0]=4 1662 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [1,1,0,0,0,0|2,0,0]=4 1663 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [1,1,0,0,0,0|1,0,1]=4 1664 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [1,1,0,0,0,0|1,0,1]=4 1665 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [1,1,0,0,0,0|0,0,2]=4 1666 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [1,1,0,0,0,0|0,0,2]=4 1667 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [1,1,0,0,0,0|0,0,2]=4 1668 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [1,1,0,0,0,0|0,0,2]=4 1669 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100000764851_100103147603 [1,1,0,0,0,0|2,0,0]=4 1670 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100016268518_100000730704 [1,1,0,0,0,0|2,0,0]=4 1671 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100000730704_100103147603 [1,1,0,0,0,0|2,0,0]=4 1672 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100103147603_100000730704 [1,1,0,0,0,0|2,0,0]=4 1673 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [1,1,0,0,0,0|1,0,0]=3 1674 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [1,1,0,0,0,0|1,0,0]=3 1675 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [1,1,0,0,0,0|1,0,0]=3 1676 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100000748629_100015370543 [1,1,0,0,0,0|1,1,0]=4 1677 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100015370543_100000211660 [1,1,0,0,0,0|1,1,0]=4 1678 B10R0.4 C=C(F)COCC/C=C\CC 34a_100016288707_100009893438 [1,1,0,0,0,0|1,0,1]=4 1679 B10R0.4 C=C(F)COCC/C=C\CC 34a_200010262243_100015370543 [1,1,0,0,0,0|1,0,1]=4 1680 B10R0.4 C=C(F)COCC/C=C\CC 7a_100016288707_100000042424 [1,1,0,0,0,0|1,0,1]=4 1681 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|0,0,2]=4 1682 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|0,0,2]=4 1683 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [1,1,0,0,0,0|1,0,1]=4 1684 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,1,0,0,0,0|1,0,1]=4 1685 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [1,1,0,0,0,0|1,0,1]=4 1686 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [1,1,0,0,0,0|1,0,1]=4 1687 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [1,1,0,0,0,0|1,0,1]=4 1688 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [1,1,0,0,0,0|1,0,1]=4 1689 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,1,0,0,0,0|1,0,1]=4 1690 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,1,0,0,0,0|1,0,1]=4 1691 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [1,1,0,0,0,0|1,0,1]=4 1692 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,1,0,0,0,0|1,0,1]=4 1693 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,1,0,0,0,0|1,0,1]=4 1694 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,1,0,0,0,0|1,0,1]=4 1695 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,1,0,0,0,0|1,0,1]=4 1696 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,1,0,0,0,0|1,0,1]=4 1697 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,1,0,0,0,0|1,0,1]=4 1698 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [1,1,0,0,0,0|1,0,1]=4 1699 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [1,1,0,0,0,0|1,0,1]=4 1700 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,1,0,0,0,0|1,0,1]=4 1701 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,1,0,0,0,0|1,0,1]=4 1702 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [1,1,0,0,0,0|1,0,1]=4 1703 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [1,1,0,0,0,0|1,0,1]=4 1704 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [1,1,0,0,0,0|2,0,0]=4 1705 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [1,1,0,0,0,0|2,0,0]=4 1706 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,1,0,0,0,0|0,0,0]=2 1707 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [1,1,0,0,0,0|1,0,0]=3 1708 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [1,1,0,0,0,0|1,0,0]=3 1709 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [1,1,0,0,0,0|1,0,0]=3 1710 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [1,1,0,0,0,0|1,0,1]=4 1711 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [1,1,0,0,0,0|1,0,1]=4 1712 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [1,1,0,0,0,0|1,0,1]=4 1713 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [1,1,0,0,0,0|1,0,1]=4 1714 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [1,1,0,0,0,0|1,0,1]=4 1715 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [1,1,0,0,0,0|0,0,2]=4 1716 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [1,1,0,0,0,0|0,0,2]=4 1717 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [1,1,0,0,0,0|1,0,1]=4 1718 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [1,1,0,0,0,0|1,0,1]=4 1719 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [1,1,0,0,0,0|0,0,2]=4 1720 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [1,1,0,0,0,0|0,0,2]=4 1721 B10R0.4 CC/C=C\CCOC[N+](=O)[O-] 34a_100016288707_100000761209 [1,1,0,0,0,0|2,0,0]=4 1722 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [1,1,0,0,0,0|1,1,0]=4 1723 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [1,1,0,0,0,0|1,1,0]=4 1724 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [1,1,0,0,0,0|1,1,0]=4 1725 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [1,1,0,0,0,0|1,1,0]=4 1726 B10R0.4 CC/C=C\CNCC=C(C)C 34a_100000718196_100103147603 [1,1,0,0,0,0|2,0,0]=4 1727 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [1,1,0,0,0,0|2,0,0]=4 1728 B10R0.4 CC/C=C\COCC=C(C)C 34a_100000753907_100103147603 [1,1,0,0,0,0|2,0,0]=4 1729 B10R0.4 CC/C=C\COCC=C(C)C 34a_100016268518_100000761012 [1,1,0,0,0,0|2,0,0]=4 1730 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [1,1,0,0,0,0|1,0,0]=3 1731 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [1,1,0,0,0,0|1,0,0]=3 1732 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [1,1,0,0,0,0|2,0,0]=4 1733 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [1,1,0,0,0,0|2,0,0]=4 1734 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [1,1,0,0,0,0|2,0,0]=4 1735 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [1,1,0,0,0,0|0,0,0]=2 1736 B10R0.4 CC/C=C\COCOC(C)C 34a_100016268518_100000709892 [1,1,0,0,0,0|1,0,1]=4 1737 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100000761012_100103147603 [1,1,0,0,0,0|2,0,0]=4 1738 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100103147603_100000761012 [1,1,0,0,0,0|2,0,0]=4 1739 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [1,1,0,0,0,0|1,0,0]=3 1740 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [1,1,0,0,0,0|1,0,0]=3 1741 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [1,1,0,0,0,0|2,0,0]=4 1742 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [1,1,0,0,0,0|2,0,0]=4 1743 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [1,1,0,0,0,0|0,0,0]=2 1744 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [1,1,0,0,0,0|0,0,0]=2 1745 B10R0.4 CC/C=C\CSCOC(C)C 62a_100000709892_100103147603 [1,1,0,0,0,0|1,0,1]=4 1746 B10R0.4 CC/C=C\CSCOC(C)C 62a_100103147603_100000709892 [1,1,0,0,0,0|1,0,1]=4 1747 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [1,1,0,0,0,0|0,0,2]=4 1748 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [1,1,0,0,0,0|0,0,2]=4 1749 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [1,1,0,0,0,0|0,0,2]=4 1750 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [1,1,0,0,0,0|0,0,2]=4 1751 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [1,1,0,0,0,0|0,0,2]=4 1752 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,2]=4 1753 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,1,0,0,0,0|0,0,2]=4 1754 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,1,0,0,0,0|0,0,2]=4 1755 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,1,0,0,0,0|0,0,2]=4 1756 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,1,0,0,0,0|0,0,2]=4 1757 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,1,0,0,0,0|0,0,2]=4 1758 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,1,0,0,0,0|0,0,2]=4 1759 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,1,0,0,0,0|0,0,2]=4 1760 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,1,0,0,0,0|0,0,2]=4 1761 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|0,0,2]=4 1762 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|1,0,1]=4 1763 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|0,0,2]=4 1764 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|0,0,2]=4 1765 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,1,0,0,0,0|0,0,2]=4 1766 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,1,0,0,0,0|0,0,2]=4 1767 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,1,0,0,0,0|0,0,2]=4 1768 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,1,0,0,0,0|1,0,1]=4 1769 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [1,1,0,0,0,0|1,0,1]=4 1770 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [1,1,0,0,0,0|1,0,1]=4 1771 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [1,1,0,0,0,0|1,0,1]=4 1772 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [1,1,0,0,0,0|1,0,1]=4 1773 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,1,0,0,0,0|1,0,1]=4 1774 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [1,1,0,0,0,0|1,0,1]=4 1775 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [1,1,0,0,0,0|1,0,1]=4 1776 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,1,0,0,0,0|0,0,2]=4 1777 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,1,0,0,0,0|0,0,2]=4 1778 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [1,1,0,0,0,0|1,0,1]=4 1779 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [1,1,0,0,0,0|1,0,1]=4 1780 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [1,1,0,0,0,0|1,0,1]=4 1781 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,1,0,0,0,0|1,0,1]=4 1782 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,1,0,0,0,0|1,0,1]=4 1783 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|0,0,2]=4 1784 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|0,0,2]=4 1785 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|0,0,2]=4 1786 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,1,0,0,0,0|1,0,1]=4 1787 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,1,0,0,0,0|1,0,1]=4 1788 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,1,0,0,0,0|1,0,1]=4 1789 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|0,0,2]=4 1790 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,1,0,0,0,0|1,0,1]=4 1791 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,1,0,0,0,0|1,0,1]=4 1792 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [1,1,0,0,0,0|1,0,1]=4 1793 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [1,1,0,0,0,0|1,0,1]=4 1794 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [1,1,0,0,0,0|1,0,1]=4 1795 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [1,1,0,0,0,0|1,0,1]=4 1796 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|0,0,2]=4 1797 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|0,0,2]=4 1798 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,1,0,0,0,0|1,0,1]=4 1799 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,1,0,0,0,0|1,0,1]=4 1801 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,1,0,0,0,0|1,0,1]=4 1802 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [1,1,0,0,0,0|1,0,1]=4 1803 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [1,1,0,0,0,0|1,0,1]=4 1804 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [1,1,0,0,0,0|1,0,1]=4 1805 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [1,1,0,0,0,0|1,0,1]=4 1806 B10R0.22 CC/C=C\CCOC(C)(C)C 34a_100015890283_100015370543 [1,1,0,0,0,0|1,0,1]=4 1807 B10R0.22 CC/C=C\CCOC(C)(C)C 34a_100016288707_100000210625 [1,1,0,0,0,0|1,0,1]=4 1808 B10R0.22 CC/C=C\CCOC(C)(C)C 7a_100015890283_100015370543 [1,1,0,0,0,0|1,0,1]=4 1809 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [1,1,0,0,0,0|1,0,1]=4 1810 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [1,1,0,0,0,0|2,0,0]=4 1811 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [1,1,0,0,0,0|2,0,0]=4 1812 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|1,0,1]=4 1813 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|1,0,1]=4 1814 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|0,0,1]=3 1815 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [1,1,0,0,0,0|0,1,1]=4 1816 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|0,1,1]=4 1817 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [1,1,0,0,0,0|1,0,1]=4 1818 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [1,1,0,0,0,0|1,0,1]=4 1819 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [1,1,0,0,0,0|1,0,1]=4 1820 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [1,1,0,0,0,0|2,0,0]=4 1821 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [1,1,0,0,0,0|2,0,0]=4 1822 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [1,1,0,0,0,0|2,0,0]=4 1823 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [1,1,0,0,0,0|2,0,0]=4 1824 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [1,1,0,0,0,0|2,0,0]=4 1825 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [1,1,0,0,0,0|2,0,0]=4 1826 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [1,1,0,0,0,0|1,0,0]=3 1827 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [1,1,0,0,0,0|1,0,0]=3 1828 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [1,1,0,0,0,0|1,0,0]=3 1829 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [1,1,0,0,0,0|1,1,0]=4 1830 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [1,1,0,0,0,0|1,1,0]=4 1831 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [1,1,0,0,0,0|1,1,0]=4 1832 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [1,1,0,0,0,0|1,0,1]=4 1833 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [1,1,0,0,0,0|1,0,1]=4 1834 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [1,1,0,0,0,0|1,0,1]=4 1835 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [1,1,0,0,0,0|1,0,1]=4 1836 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [1,1,0,0,0,0|2,0,0]=4 1837 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [1,1,0,0,0,0|2,0,0]=4 1838 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [1,1,0,0,0,0|2,0,0]=4 1839 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [1,1,0,0,0,0|2,0,0]=4 1840 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [1,1,0,0,0,0|2,0,0]=4 1841 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [1,1,0,0,0,0|2,0,0]=4 1842 B10R0.75 CC/C=C\COC(C)C(=O)C 34a_100000212229_100103147603 [1,1,0,0,0,0|2,0,0]=4 1843 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100009814033_100103147603 [1,1,0,0,0,0|2,0,0]=4 1844 B10R0.75 CC/C=C\CSC(C)C(=O)C 62a_100103147603_100009814033 [1,1,0,0,0,0|2,0,0]=4 1845 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,1,0,0,0,0|1,0,1]=4 1846 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [1,1,0,0,0,0|1,0,1]=4 1847 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [1,1,0,0,0,0|1,0,1]=4 1848 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [1,1,0,0,0,0|1,0,1]=4 1849 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [1,1,0,0,0,0|1,0,1]=4 1850 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [1,1,0,0,0,0|1,0,1]=4 1851 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [1,1,0,0,0,0|1,0,1]=4 1852 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [1,1,0,0,0,0|1,0,1]=4 1853 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [1,1,0,0,0,0|1,0,1]=4 1854 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [1,1,0,0,0,0|1,0,1]=4 1855 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,1,0,0,0,0|1,0,1]=4 1856 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,1,0,0,0,0|1,0,1]=4 1857 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,1,0,0,0,0|1,0,1]=4 1858 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,1,0,0,0,0|1,0,1]=4 1859 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,1,0,0,0,0|1,0,1]=4 1860 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [1,1,0,0,0,0|1,0,1]=4 1861 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [1,1,0,0,0,0|1,0,1]=4 1862 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [1,1,0,0,0,0|1,0,1]=4 1863 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [1,1,0,0,0,0|1,0,1]=4 1864 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [1,1,0,0,0,0|1,0,1]=4 1865 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [1,1,0,0,0,0|1,0,1]=4 1866 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|1,0,1]=4 1867 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [1,1,0,0,0,0|1,0,1]=4 1868 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [1,1,0,0,0,0|1,0,1]=4 1869 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [1,1,0,0,0,0|1,0,1]=4 1870 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,1,0,0,0,0|0,0,2]=4 1871 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|0,0,2]=4 1872 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|1,0,1]=4 1873 B10R0.71 C#CCCOCC/C=C\CC 34a_100011215631_100015370543 [1,1,0,0,0,0|0,0,2]=4 1874 B10R0.71 C#CCCOCC/C=C\CC 34a_100016288707_100000688953 [1,1,0,0,0,0|0,0,2]=4 1875 B10R0.71 C#CCCOCC/C=C\CC 7a_100016288707_100000688953 [1,1,0,0,0,0|0,0,2]=4 1876 B10R0.71 C/C=C/CCOC/C=C\CC 34a_100016278192_100103147603 [1,1,0,0,0,0|1,0,1]=4 1877 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [1,1,0,0,0,0|0,0,1]=3 1878 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [1,1,0,0,0,0|0,0,1]=3 1879 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [1,1,0,0,0,0|0,0,1]=3 1880 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100015370543_100102629194 [1,1,0,0,0,0|0,1,1]=4 1881 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100102629194_100015370543 [1,1,0,0,0,0|0,1,1]=4 1882 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [1,1,0,0,0,0|0,0,2]=4 1883 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [1,1,0,0,0,0|0,0,2]=4 1884 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [1,1,0,0,0,0|0,0,2]=4 1885 B10R0.71 CC#CCOCC/C=C\CC 34a_100000761923_100015370543 [1,1,0,0,0,0|0,0,2]=4 1886 B10R0.71 CC#CCOCC/C=C\CC 34a_100016288707_100000748600 [1,1,0,0,0,0|0,0,2]=4 1887 B10R0.71 CC#CCOCC/C=C\CC 7a_100016288707_100000748600 [1,1,0,0,0,0|0,0,2]=4 1888 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [1,1,0,0,0,0|1,0,0]=3 1889 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [1,1,0,0,0,0|1,0,0]=3 1890 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [1,1,0,0,0,0|1,0,0]=3 1891 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [1,1,0,0,0,0|1,0,0]=3 1892 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|0,0,1]=3 1893 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|0,0,1]=3 1894 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,1,0,0,0,0|1,0,1]=4 1895 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,1,0,0,0,0|1,0,1]=4 1896 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,1,0,0,0,0|1,0,1]=4 1897 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,1,0,0,0,0|1,0,1]=4 1898 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,1,0,0,0,0|1,0,1]=4 1899 B10R0.71 CC/C=C\CCC=NNCC 4a_100000756455_100016279218 [1,1,0,0,0,0|2,0,0]=4 1900 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|1,0,1]=4 1901 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 1902 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 1903 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 1904 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 1905 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 1906 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 1907 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|1,0,1]=4 1908 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|1,0,1]=4 1909 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,1,0,0,0,0|1,0,1]=4 1910 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,1,0,0,0,0|1,0,1]=4 1911 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,1,0,0,0,0|1,0,1]=4 1912 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [1,1,0,0,0,0|1,0,1]=4 1913 B10R0.71 CC/C=C\CCOCCC#N 7a_100016288707_100000184422 [1,1,0,0,0,0|0,0,2]=4 1914 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,1,0,0,0,0|0,0,1]=3 1915 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|0,0,1]=3 1916 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|0,0,1]=3 1917 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|0,0,1]=3 1918 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|0,0,1]=3 1919 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,1,0,0,0,0|0,0,1]=3 1920 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,1,0,0,0,0|0,0,1]=3 1921 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,1,0,0,0,0|0,0,1]=3 1922 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,1,0,0,0,0|0,0,1]=3 1923 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,1,0,0,0,0|0,0,1]=3 1924 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,1,0,0,0,0|0,0,1]=3 1925 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,1,0,0,0,0|0,0,1]=3 1926 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,1,0,0,0,0|0,0,1]=3 1927 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,1,0,0,0,0|0,0,1]=3 1928 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,1,0,0,0,0|0,0,1]=3 1929 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [1,1,0,0,0,0|1,0,1]=4 1930 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,1,0,0,0,0|0,0,1]=3 1931 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,1,0,0,0,0|0,0,1]=3 1932 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,1,0,0,0,0|0,0,1]=3 1933 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,1,0,0,0,0|0,0,1]=3 1934 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|0,1,1]=4 1935 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|0,1,1]=4 1936 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,1,0,0,0,0|0,1,1]=4 1937 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,1,0,0,0,0|0,1,1]=4 1938 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,1,0,0,0,0|0,1,1]=4 1939 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,1,0,0,0,0|0,1,1]=4 1940 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,1,0,0,0,0|0,1,1]=4 1941 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,1,0,0,0,0|0,1,1]=4 1942 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [1,1,0,0,0,0|0,1,1]=4 1943 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [1,1,0,0,0,0|0,1,1]=4 1944 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [1,1,0,0,0,0|0,1,1]=4 1945 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [1,1,0,0,0,0|0,1,1]=4 1946 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|1,0,1]=4 1947 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [1,1,0,0,0,0|2,0,0]=4 1948 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [1,1,0,0,0,0|2,0,0]=4 1949 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [1,1,0,0,0,0|2,0,0]=4 1950 B10R0.71 CC/C=C\COC/C=C\CC 34a_100016268518_100103147603 [1,1,0,0,0,0|1,0,0]=3 1951 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 1952 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|1,0,1]=4 1953 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|1,0,1]=4 1954 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [1,1,0,0,0,0|2,0,0]=4 1955 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [1,1,0,0,0,0|2,0,0]=4 1956 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [1,1,0,0,0,0|2,0,0]=4 1957 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [1,1,0,0,0,0|2,0,0]=4 1958 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [1,1,0,0,0,0|2,0,0]=4 1959 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [1,1,0,0,0,0|2,0,0]=4 1960 B10R0.71 CC/C=C\CSC/C=C\CC 62a_100103147603_100103147603 [1,1,0,0,0,0|1,0,0]=3 1961 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|1,0,1]=4 1962 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|1,0,1]=4 1963 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [1,1,0,0,0,0|2,0,0]=4 1964 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [1,1,0,0,0,0|2,0,0]=4 1965 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [1,1,0,0,0,0|2,0,0]=4 1966 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [1,1,0,0,0,0|2,0,0]=4 1967 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [1,1,0,0,0,0|0,0,1]=3 1968 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [1,1,0,0,0,0|0,0,1]=3 1969 B10R0.71 CC=CCSCC/C=C\CC 62a_100000070051_100015370543 [1,1,0,0,0,0|0,1,1]=4 1970 B10R0.71 CC=CCSCC/C=C\CC 62a_100015370543_100000070051 [1,1,0,0,0,0|0,1,1]=4 1971 B10R0.71 CCC#CCOC/C=C\CC 34a_100000032950_100103147603 [1,1,0,0,0,0|1,0,1]=4 1972 B10R0.71 CCC#CCOC/C=C\CC 34a_100016268518_100009813939 [1,1,0,0,0,0|1,0,1]=4 1973 B10R0.71 CCC#CCSC/C=C\CC 62a_100009813939_100103147603 [1,1,0,0,0,0|1,0,1]=4 1974 B10R0.71 CCC#CCSC/C=C\CC 62a_100103147603_100009813939 [1,1,0,0,0,0|1,0,1]=4 1975 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|1,0,1]=4 1976 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|1,0,1]=4 1977 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|1,0,1]=4 1978 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|1,0,1]=4 1979 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [1,1,0,0,0,0|1,0,1]=4 1980 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [1,1,0,0,0,0|1,0,1]=4 1981 B10R0.18 CCC(=O)CC(=O)C=COC 1458a_100016268678_100000747405 [1,1,0,0,0,0|1,0,1]=4 1982 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [1,1,0,0,0,0|0,0,1]=3 1983 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [1,1,0,0,0,0|1,0,1]=4 1984 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [1,1,0,0,0,0|1,0,1]=4 1985 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,1,0,0,0,0|1,0,1]=4 1986 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,1,0,0,0,0|1,0,1]=4 1987 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,1,0,0,0,0|1,0,1]=4 1988 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,1,0,0,0,0|1,0,1]=4 1989 B10R0.41 C#CC(CC)OC/C=C\CC 34a_100000758843_100103147603 [1,1,0,0,0,0|1,0,1]=4 1990 B10R0.41 C#CC(CC)OC/C=C\CC 7a_100000758843_100103147603 [1,1,0,0,0,0|1,0,1]=4 1991 B10R0.41 C=CC(CC)OC/C=C\CC 34a_100000766422_100103147603 [1,1,0,0,0,0|1,0,1]=4 1992 B10R0.41 C=CC(CC)OC/C=C\CC 7a_100000766422_100103147603 [1,1,0,0,0,0|1,0,1]=4 1993 B10R0.41 CC/C=C\CCN(CC)CC 2230a_100000724800_100015370543 [1,1,0,0,0,0|2,0,0]=4 1994 B10R0.41 CC/C=C\CCN(CC)CC 269956a_100000042499_100015370543 [1,1,0,0,0,0|2,0,0]=4 1995 B10R0.41 CC/C=C\CCN(CC)CC 269982a_100000724800_100015370543 [1,1,0,0,0,0|2,0,0]=4 1996 B10R0.41 CC/C=C\COC(CC)CC 7a_100000688536_100103147603 [1,1,0,0,0,0|1,0,1]=4 1997 B10R0.59 C=CC(=O)CCOC(=O)NC 1458a_100000185746_200011997002 [1,1,0,0,0,0|1,0,1]=4 1998 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000065099_100000210202 [1,1,0,0,0,0|0,0,2]=4 1999 B10R0.59 C=CC(=O)OCCC(=O)CC 1458a_100000210414_100009813456 [1,1,0,0,0,0|0,0,2]=4 2000 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [1,1,0,0,0,0|1,0,1]=4 2001 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [1,1,0,0,0,0|1,0,1]=4 2002 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [1,1,0,0,0,0|1,0,1]=4 2003 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [1,1,0,0,0,0|1,0,1]=4 2004 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [1,1,0,0,0,0|1,0,0]=3 2005 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [1,1,0,0,0,0|1,0,1]=4 2006 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 2007 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 2008 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [1,1,0,0,0,0|2,0,0]=4 2009 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [1,1,0,0,0,0|2,0,0]=4 2010 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|1,0,1]=4 2011 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|1,0,1]=4 2012 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|1,0,1]=4 2013 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|1,0,1]=4 2014 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [1,1,0,0,0,0|2,0,0]=4 2015 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [1,1,0,0,0,0|2,0,0]=4 2016 B10R0.62 CC/C=C\COC(C)(C)CC 7a_100000210230_100103147603 [1,1,0,0,0,0|1,0,1]=4 2017 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100000742827_100102629194 [1,1,0,0,0,0|2,0,0]=4 2018 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100102629194_100000742827 [1,1,0,0,0,0|2,0,0]=4 2019 B10R0.83 CC/C=C\CC(=O)C(=O)NC 1458a_100011218921_100103147603 [1,1,0,0,0,0|1,0,1]=4 2020 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000070051_100000742827 [1,1,0,0,0,0|2,0,0]=4 2021 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000742827_100000070051 [1,1,0,0,0,0|2,0,0]=4 2022 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,1,0,0,0,0|0,0,2]=4 2023 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,1,0,0,0,0|0,0,2]=4 2024 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [1,1,0,0,0,0|1,0,1]=4 2025 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [1,1,0,0,0,0|1,0,1]=4 2026 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [1,1,0,0,0,0|1,0,1]=4 2027 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [1,1,0,0,0,0|1,0,1]=4 2028 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [1,1,0,0,0,0|1,0,1]=4 2029 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [1,1,0,0,0,0|1,0,1]=4 2030 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|1,0,1]=4 2031 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [1,1,0,0,0,0|1,0,1]=4 2032 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [1,1,0,0,0,0|1,0,1]=4 2033 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [1,1,0,0,0,0|1,0,0]=3 2034 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [1,1,0,0,0,0|2,0,0]=4 2035 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [1,1,0,0,0,0|2,0,0]=4 2036 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [1,1,0,0,0,0|2,0,0]=4 2037 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [1,1,0,0,0,0|2,0,0]=4 2038 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [1,1,0,0,0,0|2,0,0]=4 2039 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [1,1,0,0,0,0|2,0,0]=4 2040 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [1,1,0,0,0,0|2,0,0]=4 2041 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [1,1,0,0,0,0|2,0,0]=4 2042 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [1,1,0,0,0,0|2,0,0]=4 2043 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [1,1,0,0,0,0|2,0,0]=4 2044 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 2045 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 2046 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 2047 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [1,1,0,0,0,0|2,0,0]=4 2048 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [1,1,0,0,0,0|2,0,0]=4 2049 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [1,1,0,0,0,0|2,0,0]=4 2050 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [1,1,0,0,0,0|2,0,0]=4 2051 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [1,1,0,0,0,0|2,0,0]=4 2052 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [1,1,0,0,0,0|2,0,0]=4 2053 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [1,1,0,0,0,0|2,0,0]=4 2054 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|1,0,0]=3 2055 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [1,1,0,0,0,0|2,0,0]=4 2056 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [1,1,0,0,0,0|2,0,0]=4 2057 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [1,1,0,0,0,0|2,0,0]=4 2058 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [1,1,0,0,0,0|2,0,0]=4 2059 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [1,1,0,0,0,0|2,0,0]=4 2060 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [1,1,0,0,0,0|2,0,0]=4 2061 B12R0.1 C/C=C/C=C/COCC(=O)NCC 34a_100016283227_100000183381 [0,2,0,0,0,0|0,0,2]=4 2062 B12R0.1 C/C=C/C=C/COCC(=O)OCC 34a_100016283227_100000188475 [0,2,0,0,0,0|0,0,2]=4 2063 B12R0.1 C/C=C/CCOCOC(=O)CCC 34a_100016278192_100000034017 [0,2,0,0,0,0|0,0,2]=4 2064 B12R0.1 C=COC(=O)COCC/C=C\CC 34a_100016288707_100000036128 [0,2,0,0,0,0|0,0,2]=4 2065 B12R0.1 CC/C=C/CCCOC(C)CCC 34a_100016287902_100000766640 [0,2,0,0,0,0|1,0,1]=4 2066 B12R0.1 CC/C=C/CCCOC(C)CCC 7a_100016287902_100000766640 [0,2,0,0,0,0|1,0,1]=4 2067 B12R0.1 CC/C=C/CCCOC(C)CCO 34a_100016287902_100009893172 [0,2,0,0,0,0|1,0,1]=4 2068 B12R0.1 CC/C=C/CCCOC(C)CCO 7a_100016287902_100009893172 [0,2,0,0,0,0|1,0,1]=4 2069 B12R0.1 CC/C=C/CCCOC(C)COC 34a_100016287902_100000765312 [0,2,0,0,0,0|1,0,1]=4 2070 B12R0.1 CC/C=C/CCCOC(C)COC 7a_100016287902_100000765312 [0,2,0,0,0,0|1,0,1]=4 2071 B12R0.1 CC/C=C\CCNCC(=O)NCC 2230a_100016988866_100015370543 [0,2,0,0,0,0|1,0,0]=3 2072 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,2,0,0,0,0|0,0,0]=2 2073 B12R0.1 CC/C=C\CCOCC(=O)NCC 34a_100016288707_100000183381 [0,2,0,0,0,0|0,0,0]=2 2074 B12R0.1 CC/C=C\CCOCC(=O)NCC 7a_100016288707_100000183381 [0,2,0,0,0,0|0,0,0]=2 2075 B12R0.1 CC/C=C\CCOCC(=O)NCO 34a_100016288707_100000185155 [0,2,0,0,0,0|1,0,0]=3 2076 B12R0.1 CC/C=C\CCOCC(=O)NCO 7a_100016288707_100000185155 [0,2,0,0,0,0|1,0,0]=3 2077 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,2,0,0,0,0|0,0,0]=2 2078 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,2,0,0,0,0|0,0,0]=2 2079 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100000688023_100015370543 [0,2,0,0,0,0|1,0,1]=4 2080 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100016288707_100011216630 [0,2,0,0,0,0|1,0,1]=4 2081 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100000688023_100015370543 [0,2,0,0,0,0|1,0,1]=4 2082 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100016288707_100011216630 [0,2,0,0,0,0|1,0,1]=4 2083 B12R0.1 CC/C=C\CCOCC(C)CCN 34a_106354213184_100015370543 [0,2,0,0,0,0|1,0,1]=4 2084 B12R0.1 CC/C=C\CCOCC(N)COC 34a_100000724102_100015370543 [0,2,0,0,0,0|1,0,1]=4 2085 B12R0.1 CC/C=C\CCOCC(O)COC 34a_100016288707_100011215053 [0,2,0,0,0,0|0,0,2]=4 2086 B12R0.1 CC/C=C\CCOCC(O)COC 7a_100016288707_100011215053 [0,2,0,0,0,0|0,0,2]=4 2087 B12R0.1 CC/C=C\CCOC[C@@H](N)CCC 34a_100000732646_100015370543 [0,2,0,0,0,0|1,0,1]=4 2088 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,2,0,0,0,0|0,1,0]=3 2089 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,2,0,0,0,0|0,1,0]=3 2090 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100000183381_100015370543 [0,2,0,0,0,0|0,1,0]=3 2091 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100015370543_100000183381 [0,2,0,0,0,0|0,1,0]=3 2092 B12R0.1 CC/C=C\CCSCC(=O)NCO 62a_100000185155_100015370543 [0,2,0,0,0,0|1,1,0]=4 2093 B12R0.1 CC/C=C\CCSCC(=O)NCO 62a_100015370543_100000185155 [0,2,0,0,0,0|1,1,0]=4 2094 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,2,0,0,0,0|0,1,0]=3 2095 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,2,0,0,0,0|0,1,0]=3 2096 B12R0.1 CC/C=C\CNCCC(=O)NCC 34a_100025743525_100103147603 [0,2,0,0,0,0|1,0,0]=3 2097 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,2,0,0,0,0|1,0,0]=3 2098 B12R0.1 CC/C=C\COCOC(=O)CCC 34a_100016268518_100000034017 [0,2,0,0,0,0|0,0,0]=2 2099 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100000737597_100103147603 [0,2,0,0,0,0|1,0,0]=3 2100 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100103147603_100000737597 [0,2,0,0,0,0|1,0,0]=3 2101 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,2,0,0,0,0|1,0,0]=3 2102 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,2,0,0,0,0|1,0,0]=3 2103 B12R0.1 CC/C=C\CSCOC(=O)CCC 62a_100103147603_100000034017 [0,2,0,0,0,0|0,0,0]=2 2104 B12R0.1 CC/C=C\CSCOC(=O)OCC 62a_100103147603_100000075025 [0,2,0,0,0,0|0,0,0]=2 2105 B12R0.1 CC=C=CCCOCC(=O)NCC 34a_100011020354_100000183381 [0,2,0,0,0,0|0,0,2]=4 2106 B12R0.1 CC=C=CCCOCC(=O)OCC 34a_100011020354_100000188475 [0,2,0,0,0,0|0,0,2]=4 2107 B12R0.1 CC=CCCCOCC(=O)NCC 34a_100020645299_100000183381 [0,2,0,0,0,0|0,0,2]=4 2108 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,2,0,0,0,0|0,0,2]=4 2109 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,2,0,0,0,0|0,0,2]=4 2110 B12R0.1 CCC#CCCOCC(=O)NCC 34a_100000036655_100000183381 [0,2,0,0,0,0|0,0,2]=4 2111 B12R0.1 CCC#CCCOCC(=O)NCC 7a_100000036655_100000183381 [0,2,0,0,0,0|0,0,2]=4 2112 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,2,0,0,0,0|0,0,2]=4 2113 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,2,0,0,0,0|0,0,2]=4 2114 B12R0.1 CCC#CCOCOC(=O)CCC 34a_100000032950_100000034017 [0,2,0,0,0,0|0,0,2]=4 2115 B12R0.1 CCC#CCSCOC(=O)CCC 62a_100009813939_100000034017 [0,2,0,0,0,0|0,0,2]=4 2116 B12R0.1 CCC#CCSCOC(=O)OCC 62a_100009813939_100000075025 [0,2,0,0,0,0|0,0,2]=4 2117 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,2,0,0,0,0|0,0,2]=4 2118 B12R0.1 CCC/C=C/COCC(=O)NCC 34a_100016278788_100000183381 [0,2,0,0,0,0|0,0,2]=4 2119 B12R0.1 CCC/C=C/COCC(=O)NCC 7a_100016278788_100000183381 [0,2,0,0,0,0|0,0,2]=4 2120 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,2,0,0,0,0|0,0,2]=4 2121 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,2,0,0,0,0|0,0,2]=4 2122 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,2,0,0,0,0|1,0,1]=4 2123 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,2,0,0,0,0|1,0,1]=4 2124 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,2,0,0,0,0|1,0,1]=4 2125 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,2,0,0,0,0|1,0,1]=4 2126 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,2,0,0,0,0|1,0,1]=4 2127 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,2,0,0,0,0|1,0,1]=4 2128 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,2,0,0,0,0|1,0,1]=4 2129 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,2,0,0,0,0|1,0,1]=4 2130 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,2,0,0,0,0|1,0,1]=4 2131 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|0,0,2]=4 2132 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|0,0,2]=4 2133 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|0,0,2]=4 2134 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|0,0,2]=4 2135 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|0,0,2]=4 2136 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,2,0,0,0,0|0,0,2]=4 2137 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,2,0,0,0,0|0,0,2]=4 2138 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,2,0,0,0,0|0,0,2]=4 2139 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|0,0,2]=4 2140 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,2,0,0,0,0|1,0,1]=4 2141 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,2,0,0,0,0|1,0,1]=4 2142 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,2,0,0,0,0|1,0,1]=4 2143 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,2,0,0,0,0|1,0,1]=4 2144 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,2,0,0,0,0|1,0,1]=4 2145 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,2,0,0,0,0|1,0,1]=4 2146 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,2,0,0,0,0|1,0,1]=4 2147 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,2,0,0,0,0|1,0,1]=4 2148 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,2,0,0,0,0|1,0,1]=4 2149 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,2,0,0,0,0|1,0,1]=4 2150 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,2,0,0,0,0|1,0,1]=4 2151 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,2,0,0,0,0|1,0,1]=4 2152 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,2,0,0,0,0|1,0,1]=4 2153 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,2,0,0,0,0|1,0,1]=4 2154 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,2,0,0,0,0|1,0,1]=4 2155 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,2,0,0,0,0|1,0,1]=4 2156 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,2,0,0,0,0|1,0,1]=4 2157 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,2,0,0,0,0|1,0,1]=4 2158 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,2,0,0,0,0|1,0,1]=4 2159 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,2,0,0,0,0|1,0,1]=4 2160 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,2,0,0,0,0|1,0,1]=4 2161 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,2,0,0,0,0|1,0,1]=4 2162 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,2,0,0,0,0|1,0,1]=4 2163 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,2,0,0,0,0|1,0,1]=4 2164 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,2,0,0,0,0|1,0,1]=4 2165 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,2,0,0,0,0|1,0,1]=4 2166 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,2,0,0,0,0|1,0,1]=4 2167 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100000211805_100015370543 [0,2,0,0,0,0|1,0,1]=4 2168 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100016288707_100000731052 [0,2,0,0,0,0|1,0,1]=4 2169 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100000211805_100015370543 [0,2,0,0,0,0|1,0,1]=4 2170 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100016288707_100000731052 [0,2,0,0,0,0|1,0,1]=4 2171 B12R0.4 CC/C=C\CNCC(=O)NC(C)C 2230a_100000168517_100103147603 [0,2,0,0,0,0|2,0,0]=4 2172 B12R0.4 CC/C=C\COCC(=O)NC(C)C 34a_100016268518_100000183996 [0,2,0,0,0,0|2,0,0]=4 2173 B12R0.4 CC/C=C\COCC(=O)OC(C)C 34a_100016268518_100011215430 [0,2,0,0,0,0|2,0,0]=4 2174 B12R0.4 CC/C=C\CSCC(=O)NC(C)C 62a_100000183996_100103147603 [0,2,0,0,0,0|2,0,0]=4 2175 B12R0.4 CC/C=C\CSCC(=O)NC(C)C 62a_100103147603_100000183996 [0,2,0,0,0,0|2,0,0]=4 2176 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100011215430_100103147603 [0,2,0,0,0,0|2,0,0]=4 2177 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100103147603_100011215430 [0,2,0,0,0,0|2,0,0]=4 2178 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,2,0,0,0,0|1,0,1]=4 2179 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,2,0,0,0,0|1,0,1]=4 2180 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,2,0,0,0,0|1,0,1]=4 2181 B12R0.49 C=C(COC/C=C\CC)C(=O)OC 34a_100016268518_100009813391 [0,2,0,0,0,0|2,0,0]=4 2182 B12R0.49 C=C(CSC/C=C\CC)C(=O)OC 62a_100009813391_100103147603 [0,2,0,0,0,0|2,0,0]=4 2183 B12R0.49 C=C(CSC/C=C\CC)C(=O)OC 62a_100103147603_100009813391 [0,2,0,0,0,0|2,0,0]=4 2184 B12R0.49 C=C[C@@H](C)[C@@H](C)OCC/C=C\CC 34a_100015455354_100015370543 [0,2,0,0,0,0|1,0,1]=4 2185 B12R0.49 C=C[C@@H](C)[C@@H](C)OCC/C=C\CC 7a_100015455354_100015370543 [0,2,0,0,0,0|1,0,1]=4 2186 B12R0.49 CC/C=C\CCN[C@H](C)C(=O)NC 2230a_100000684985_100015370543 [0,2,0,0,0,0|2,0,0]=4 2187 B12R0.49 CC/C=C\CCN[C@H](C)C(=O)NC 34a_100000684985_100015370543 [0,2,0,0,0,0|2,0,0]=4 2188 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 34a_200020655201_200000210301 [0,2,0,0,0,0|0,0,0]=2 2189 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 7a_200020655201_200000210301 [0,2,0,0,0,0|0,0,0]=2 2190 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 34a_200020655201_200025704644 [0,2,0,0,0,0|0,0,0]=2 2191 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 7a_200020655201_200025704644 [0,2,0,0,0,0|0,0,0]=2 2192 B12R0.49 CC/C=C\CCOC(C)C(=O)CC 7a_100016288707_100000742827 [0,2,0,0,0,0|0,0,0]=2 2193 B12R0.49 CC/C=C\CCOC(C)C(=O)NC 34a_100016288707_100000731044 [0,2,0,0,0,0|1,0,0]=3 2194 B12R0.49 CC/C=C\CCOC(C)C(=O)NC 7a_100016288707_100000209862 [0,2,0,0,0,0|1,0,0]=3 2195 B12R0.49 CC/C=C\CCOC(C)C(=O)NN 34a_100000725659_100015370543 [0,2,0,0,0,0|2,0,0]=4 2196 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 34a_100011215400_100015370543 [0,2,0,0,0,0|1,0,0]=3 2197 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 34a_100016288707_100000211248 [0,2,0,0,0,0|1,0,0]=3 2198 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 7a_100016288707_100000211248 [0,2,0,0,0,0|1,0,0]=3 2199 B12R0.49 CC/C=C\CCOC(C)C(C)CC 7a_100011215189_100015370543 [0,2,0,0,0,0|1,0,1]=4 2200 B12R0.49 CC/C=C\CCOC(F)C(=O)NC 34a_100016288707_100009813575 [0,2,0,0,0,0|1,0,0]=3 2201 B12R0.49 CC/C=C\CCOC(F)C(=O)NC 7a_100016288707_100009813575 [0,2,0,0,0,0|1,0,0]=3 2202 B12R0.49 CC/C=C\CCSC(C)C(=O)CC 62a_100000742827_100015370543 [0,2,0,0,0,0|0,1,0]=3 2203 B12R0.49 CC/C=C\CCSC(C)C(=O)CC 62a_100015370543_100000742827 [0,2,0,0,0,0|0,1,0]=3 2204 B12R0.49 CC/C=C\CCSC(C)C(=O)NC 62a_100000209862_100015370543 [0,2,0,0,0,0|1,1,0]=4 2205 B12R0.49 CC/C=C\CCSC(C)C(=O)NC 62a_100015370543_100000731044 [0,2,0,0,0,0|1,1,0]=4 2206 B12R0.49 CC/C=C\CCSC(C)C(=O)OC 62a_100000211248_100015370543 [0,2,0,0,0,0|1,1,0]=4 2207 B12R0.49 CC/C=C\CCSC(C)C(=O)OC 62a_100015370543_100000211248 [0,2,0,0,0,0|1,1,0]=4 2208 B12R0.49 CC/C=C\CCSC(F)C(=O)NC 62a_100009813575_100015370543 [0,2,0,0,0,0|1,1,0]=4 2209 B12R0.49 CC/C=C\CCSC(F)C(=O)NC 62a_100015370543_100009813575 [0,2,0,0,0,0|1,1,0]=4 2210 B12R0.49 CC/C=C\CNCC(C)C(=O)NC 2230a_100015187722_100103147603 [0,2,0,0,0,0|2,0,0]=4 2211 B12R0.49 CC/C=C\CNCC(C)C(=O)NC 34a_100015187722_100103147603 [0,2,0,0,0,0|2,0,0]=4 2212 B12R0.49 CC/C=C\COCC(=O)C(=O)OC 34a_100016268518_100011610305 [0,2,0,0,0,0|2,0,0]=4 2213 B12R0.49 CC/C=C\COCC(=O)N(C)CC 34a_100016268518_100000738999 [0,2,0,0,0,0|2,0,0]=4 2214 B12R0.49 CC/C=C\COCC(C)C(=O)OC 34a_100000749362_100103147603 [0,2,0,0,0,0|2,0,0]=4 2215 B12R0.49 CC/C=C\COCC(C)C(=O)OC 34a_100016268518_100000698445 [0,2,0,0,0,0|2,0,0]=4 2216 B12R0.49 CC/C=C\COCC(C)C(=O)OC 7a_100000749362_100103147603 [0,2,0,0,0,0|2,0,0]=4 2217 B12R0.49 CC/C=C\COCC(F)C(=O)OC 34a_200009849844_100103147603 [0,2,0,0,0,0|2,0,0]=4 2218 B12R0.49 CC/C=C\COC[C@@H](N)C(=O)OC 34a_100000003586_100103147603 [0,2,0,0,0,0|2,0,0]=4 2219 B12R0.49 CC/C=C\CSCC(=O)C(=O)OC 62a_100011610305_100103147603 [0,2,0,0,0,0|2,0,0]=4 2220 B12R0.49 CC/C=C\CSCC(=O)C(=O)OC 62a_100103147603_100011610305 [0,2,0,0,0,0|2,0,0]=4 2221 B12R0.49 CC/C=C\CSCC(=O)N(C)CC 62a_100000738999_100103147603 [0,2,0,0,0,0|2,0,0]=4 2222 B12R0.49 CC/C=C\CSCC(=O)N(C)CC 62a_100103147603_100000738999 [0,2,0,0,0,0|2,0,0]=4 2223 B12R0.49 CC/C=C\CSCC(C)C(=O)OC 62a_100000698445_100103147603 [0,2,0,0,0,0|2,0,0]=4 2224 B12R0.49 CC/C=C\CSCC(C)C(=O)OC 62a_100103147603_100000698445 [0,2,0,0,0,0|2,0,0]=4 2225 B12R0.49 CCC#CCCOC(C)C(=O)CC 7a_100000036655_100000742827 [0,2,0,0,0,0|0,0,2]=4 2226 B12R0.49 CCC/C=C/COC(C)C(=O)CC 7a_100016278788_100000742827 [0,2,0,0,0,0|0,0,2]=4 2227 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|0,0,2]=4 2228 B12R0.49 CCCOCCOC(C)C(=O)CC 7a_100000752267_100000742827 [0,2,0,0,0,0|1,0,1]=4 2229 B12R0.49 CCCSCCOC(C)C(=O)CC 7a_200000230433_100000742827 [0,2,0,0,0,0|1,0,1]=4 2230 B12R0.49 CCOCCCOC(C)C(=O)CC 7a_100000757476_100000742827 [0,2,0,0,0,0|1,0,1]=4 2231 B12R0.49 CCSCCCOC(C)C(=O)CC 7a_100011216438_100000742827 [0,2,0,0,0,0|1,0,1]=4 2232 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [0,2,0,0,0,0|0,0,1]=3 2233 B12R0.101 CCCC(=O)OCC(=O)C=COC 1458a_100016268678_100000034017 [0,2,0,0,0,0|1,0,1]=4 2234 B12R0.114 CC/C=C\CCC(=O)/C(=C/CC)/C 1458a_100016988807_100015370543 [0,2,0,0,0,0|2,0,0]=4 2235 B12R0.114 CC/C=C\CCC(=O)C(=O)NCC 1458a_200011297158_100015370543 [0,2,0,0,0,0|1,0,0]=3 2236 B12R0.114 CC/C=C\CNC(C)C(=O)NCC 2230a_100000736553_100103147603 [0,2,0,0,0,0|2,0,0]=4 2237 B12R0.114 CC/C=C\CNC(C)C(=O)NCC 34a_100000736553_100103147603 [0,2,0,0,0,0|2,0,0]=4 2238 B12R0.114 CC/C=C\CN[C@@H](C)C(=O)SCC 2230a_100103168634_100103147603 [0,2,0,0,0,0|2,0,0]=4 2239 B12R0.114 CC/C=C\COC(C)C(=O)NCC 34a_100016268518_100000230173 [0,2,0,0,0,0|2,0,0]=4 2240 B12R0.114 CC/C=C\COC(C)C(=O)OCC 34a_100016268518_100011216346 [0,2,0,0,0,0|2,0,0]=4 2241 B12R0.114 CC/C=C\COC(F)C(=O)OCC 34a_100016268518_100000760018 [0,2,0,0,0,0|2,0,0]=4 2242 B12R0.114 CC/C=C\CO[C@@H](C)C(=O)OCC 7a_100000751109_100103147603 [0,2,0,0,0,0|2,0,0]=4 2243 B12R0.114 CC/C=C\CSC(C)C(=O)NCC 62a_100000230173_100103147603 [0,2,0,0,0,0|2,0,0]=4 2244 B12R0.114 CC/C=C\CSC(C)C(=O)NCC 62a_100103147603_100000230173 [0,2,0,0,0,0|2,0,0]=4 2245 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100011216346_100103147603 [0,2,0,0,0,0|2,0,0]=4 2246 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100103147603_100011216346 [0,2,0,0,0,0|2,0,0]=4 2247 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100000760018_100103147603 [0,2,0,0,0,0|2,0,0]=4 2248 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100103147603_100000760018 [0,2,0,0,0,0|2,0,0]=4 2249 B12R0.121 C#CC(CCC)OCC/C=C\CC 34a_200011217317_100015370543 [0,2,0,0,0,0|1,0,1]=4 2250 B12R0.121 C#CC(CCC)OCC/C=C\CC 7a_200011217317_100015370543 [0,2,0,0,0,0|1,0,1]=4 2251 B12R0.121 C#CCC(CC)OCC/C=C\CC 34a_200011217983_100015370543 [0,2,0,0,0,0|1,0,1]=4 2252 B12R0.121 C#CCC(CC)OCC/C=C\CC 7a_200011217983_100015370543 [0,2,0,0,0,0|1,0,1]=4 2253 B12R0.121 C=CC(CCC)OCC/C=C\CC 34a_100011216692_100015370543 [0,2,0,0,0,0|1,0,1]=4 2254 B12R0.121 C=CC(CCC)OCC/C=C\CC 7a_100011216692_100015370543 [0,2,0,0,0,0|1,0,1]=4 2255 B12R0.121 CC#CC(CC)OCC/C=C\CC 34a_200011219922_100015370543 [0,2,0,0,0,0|1,0,1]=4 2256 B12R0.121 CC#CC(CC)OCC/C=C\CC 7a_200011219922_100015370543 [0,2,0,0,0,0|1,0,1]=4 2257 B12R0.121 CC/C=C\CCOC(C#N)CCC 34a_100000686963_100015370543 [0,2,0,0,0,0|1,0,1]=4 2258 B12R0.121 CC/C=C\CCOC(C#N)CCC 7a_100000686963_100015370543 [0,2,0,0,0,0|1,0,1]=4 2259 B12R0.121 CC/C=C\CCOC(CC)CCC 34a_100000687864_100015370543 [0,2,0,0,0,0|1,0,1]=4 2260 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100000687864_100015370543 [0,2,0,0,0,0|1,0,1]=4 2261 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100016288707_100011219200 [0,2,0,0,0,0|1,0,1]=4 2262 B12R0.121 CC/C=C\CCOC(CC)COC 7a_200011214946_100015370543 [0,2,0,0,0,0|0,0,2]=4 2263 B12R0.121 CC/C=C\CCOC(CCl)COC 34a_100011215053_100015370543 [0,2,0,0,0,0|1,0,1]=4 2264 B12R0.121 CC/C=C\CCOC(CN)COC 34a_100000756049_100015370543 [0,2,0,0,0,0|1,0,1]=4 2265 B12R0.206 C=CCCC(C)OCC/C=C\CC 34a_100000765329_100015370543 [0,2,0,0,0,0|1,0,1]=4 2266 B12R0.206 C=CCCC(C)OCC/C=C\CC 7a_100000765329_100015370543 [0,2,0,0,0,0|1,0,1]=4 2267 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100000687866_100015370543 [0,2,0,0,0,0|1,0,1]=4 2268 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100016288707_200011215066 [0,2,0,0,0,0|1,0,1]=4 2269 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100000687866_100015370543 [0,2,0,0,0,0|1,0,1]=4 2270 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100016288707_200011215066 [0,2,0,0,0,0|1,0,1]=4 2271 B12R0.206 CC/C=C\CCOC(C)CCCCl 34a_200000718107_100015370543 [0,2,0,0,0,0|1,0,1]=4 2272 B12R0.206 CC/C=C\CCOC(C)CCCCl 7a_200000718107_100015370543 [0,2,0,0,0,0|1,0,1]=4 2273 B12R0.206 CC/C=C\CCOC(C)COCC 34a_100000718985_100015370543 [0,2,0,0,0,0|1,0,1]=4 2274 B12R0.206 CC/C=C\CCOC(C)COCC 7a_100000718985_100015370543 [0,2,0,0,0,0|1,0,1]=4 2275 B12R0.206 CC/C=C\CNCC(=O)NCCC 2230a_100000174927_100103147603 [0,2,0,0,0,0|2,0,0]=4 2276 B12R0.206 CC/C=C\CNCC(=O)NCCF 2230a_100000725713_100103147603 [0,2,0,0,0,0|2,0,0]=4 2277 B12R0.206 CC/C=C\COCC(=O)NCCC 34a_100016268518_100000183358 [0,2,0,0,0,0|2,0,0]=4 2278 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [0,2,0,0,0,0|2,0,0]=4 2279 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100000183358_100103147603 [0,2,0,0,0,0|2,0,0]=4 2280 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100103147603_100000183358 [0,2,0,0,0,0|2,0,0]=4 2281 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_100103147603_200011215008 [0,2,0,0,0,0|2,0,0]=4 2282 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_200011215008_100103147603 [0,2,0,0,0,0|2,0,0]=4 2283 B12R0.206 CCC#CC(C)OCC/C=C\CC 34a_100000033903_100015370543 [0,2,0,0,0,0|1,0,1]=4 2284 B12R0.206 CCC#CC(C)OCC/C=C\CC 7a_100000033903_100015370543 [0,2,0,0,0,0|1,0,1]=4 2285 B12R0.239 CC/C=C/CC(=O)CC(=O)CCC 1458a_100016274230_100000747444 [0,2,0,0,0,0|1,0,1]=4 2286 B12R0.239 CC/C=C/CC(=O)CC(=O)NCC 1458a_100016274230_100000183381 [0,2,0,0,0,0|1,0,1]=4 2287 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,2,0,0,0,0|1,0,1]=4 2288 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,2,0,0,0,0|1,0,1]=4 2289 B12R0.239 CC/C=C\CN(C)CC(=O)NCC 2230a_100000741943_100103147603 [0,2,0,0,0,0|2,0,0]=4 2290 B12R0.239 CC/C=C\CN(C)CC(=O)NCC 269982a_100000741943_100103147603 [0,2,0,0,0,0|2,0,0]=4 2291 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,2,0,0,0,0|2,0,0]=4 2292 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,2,0,0,0,0|0,0,2]=4 2293 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,2,0,0,0,0|0,0,2]=4 2294 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,2,0,0,0,0|0,0,2]=4 2295 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,2,0,0,0,0|0,0,2]=4 2296 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,2,0,0,0,0|0,0,2]=4 2297 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,2,0,0,0,0|0,0,2]=4 2298 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,2,0,0,0,0|0,0,2]=4 2299 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,2,0,0,0,0|0,0,2]=4 2300 B12R0.276 CC=CC(=O)CCOCC(=O)OC 1458a_100000210699_100000090808 [0,2,0,0,0,0|1,0,1]=4 2301 B12R0.276 CC=CC(=O)NCCNC(=O)CC 11a_100132302217_100000210699 [0,2,0,0,0,0|1,0,1]=4 2302 B12R0.276 CC=CC(=O)NCCNC(=O)CC 1626a_100132302217_100000210699 [0,2,0,0,0,0|1,0,1]=4 2303 B12R0.276 CC=CC(=O)NCCNC(=O)CC 240690a_100132302217_100000210699 [0,2,0,0,0,0|1,0,1]=4 2304 B12R0.276 CCC(=O)NCCNC(=O)CCO 240690a_100132302217_100011216618 [0,2,0,0,0,0|2,0,0]=4 2305 B12R0.276 CCC(=O)NCCNC(=O)COC 11a_100132302217_100000210968 [0,2,0,0,0,0|2,0,0]=4 2306 B12R0.276 CCC(=O)NCCNC(=O)COC 1626a_100132302217_100000210968 [0,2,0,0,0,0|2,0,0]=4 2307 B12R0.276 CCC(=O)NCCNC(=O)COC 240690a_100132302217_100000210968 [0,2,0,0,0,0|2,0,0]=4 2308 B12R0.276 CCC(=O)NCCNC(=O)COC 527a_100132302217_100000210968 [0,2,0,0,0,0|2,0,0]=4 2309 B12R0.276 CCC(=O)NCCNC(=O)CSC 11a_100132302217_100000184570 [0,2,0,0,0,0|2,0,0]=4 2310 B12R0.276 CCC(=O)NCCNC(=O)CSC 1626a_100132302217_100000184570 [0,2,0,0,0,0|2,0,0]=4 2311 B12R0.276 CCC(=O)NCCNC(=O)CSC 240690a_100132302217_100000184570 [0,2,0,0,0,0|2,0,0]=4 2312 B12R0.276 CCC(=O)NCCNC(=O)CSC 527a_100132302217_100000184570 [0,2,0,0,0,0|2,0,0]=4 2313 B12R0.276 CCC(=O)OCCOC(C)CCO 7a_200000031056_100009893172 [0,2,0,0,0,0|1,0,1]=4 2314 B12R0.276 CCC(=O)OCCOC(C)COC 7a_200000031056_100000765312 [0,2,0,0,0,0|1,0,1]=4 2315 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,2,0,0,0,0|1,0,1]=4 2316 B12R0.276 CCCC(=O)CSCOC(=O)OC 62a_100000747444_100000139417 [0,2,0,0,0,0|1,0,1]=4 2317 B12R0.276 CCCC(=O)NCCNC(=O)CC 11a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 2318 B12R0.276 CCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 2319 B12R0.276 CCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 2320 B12R0.276 CCCC(=O)NCCNC(=O)CC 527a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 2321 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [0,2,0,0,0,0|1,0,1]=4 2322 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [0,2,0,0,0,0|1,0,1]=4 2323 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|0,0,2]=4 2324 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,2,0,0,0,0|0,0,2]=4 2325 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000737597_100000747405 [0,2,0,0,0,0|1,1,0]=4 2326 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000747405_100000737597 [0,2,0,0,0,0|1,1,0]=4 2327 B12R0.276 CCNC(=O)CSCOC(=O)OC 62a_100000183381_100000139417 [0,2,0,0,0,0|2,0,0]=4 2328 B12R0.276 CCNC(=O)NCCNC(=O)CC 2708a_100015525214_100132302217 [0,2,0,0,0,0|2,0,0]=4 2329 B12R0.276 CCNC(=O)NCCNC(=O)CC 2708a_100132302217_100015525214 [0,2,0,0,0,0|2,0,0]=4 2330 B12R0.276 CCNC(=O)NCCNC(=O)CC 273464a_100015525214_100132302217 [0,2,0,0,0,0|2,0,0]=4 2331 B12R0.276 CCNC(=O)NCCNC(=O)CC 273464a_100132302217_100015525214 [0,2,0,0,0,0|2,0,0]=4 2332 B12R0.276 CCNC(=O)NCCNC(=O)CC 512a_100015525214_100132302217 [0,2,0,0,0,0|2,0,0]=4 2333 B12R0.276 CCNC(=O)NCCNC(=O)CC 512a_100132302217_100015525214 [0,2,0,0,0,0|2,0,0]=4 2334 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,2,0,0,0,0|1,0,1]=4 2335 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,2,0,0,0,0|1,0,1]=4 2336 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,2,0,0,0,0|1,0,1]=4 2337 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [0,2,0,0,0,0|1,0,0]=3 2338 B12R0.276 CCOC(=O)CCOCC(=O)NC 34a_100000750040_100000765890 [0,2,0,0,0,0|2,0,0]=4 2339 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [0,2,0,0,0,0|1,1,0]=4 2340 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [0,2,0,0,0,0|1,1,0]=4 2341 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,2,0,0,0,0|2,0,0]=4 2342 B12R0.276 CCOC(=O)CSCOC(=O)OC 62a_100000188475_100000139417 [0,2,0,0,0,0|2,0,0]=4 2343 B12R0.276 CCOC(=O)OCSCC(=O)CC 62a_100000747405_100000075025 [0,2,0,0,0,0|1,0,1]=4 2344 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,2,0,0,0,0|1,0,1]=4 2345 B12R0.285 CC=CC(=O)CCNC(=O)OCC 1458a_100000210699_200011445536 [0,2,0,0,0,0|1,0,1]=4 2346 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,2,0,0,0,0|1,0,1]=4 2347 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,2,0,0,0,0|1,0,1]=4 2348 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,2,0,0,0,0|1,0,1]=4 2349 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,2,0,0,0,0|1,0,1]=4 2350 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 2351 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 2352 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 2353 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,2,0,0,0,0|2,0,0]=4 2354 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,2,0,0,0,0|2,0,0]=4 2355 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,2,0,0,0,0|2,0,0]=4 2356 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,2,0,0,0,0|2,0,0]=4 2357 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,2,0,0,0,0|2,0,0]=4 2358 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,2,0,0,0,0|2,0,0]=4 2359 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,2,0,0,0,0|2,0,0]=4 2360 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,2,0,0,0,0|2,0,0]=4 2361 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,2,0,0,0,0|2,0,0]=4 2362 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,2,0,0,0,0|2,0,0]=4 2363 B12R0.285 CCNC(=O)CCNC(=O)CCO 240690a_100025743525_100011216618 [0,2,0,0,0,0|2,0,0]=4 2364 B12R0.285 CCNC(=O)CCNC(=O)COC 11a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 2365 B12R0.285 CCNC(=O)CCNC(=O)COC 1626a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 2366 B12R0.285 CCNC(=O)CCNC(=O)COC 240690a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 2367 B12R0.285 CCNC(=O)CCNC(=O)COC 527a_100025743525_100000210968 [0,2,0,0,0,0|2,0,0]=4 2368 B12R0.285 CCNC(=O)CCNC(=O)CSC 11a_100025743525_100000184570 [0,2,0,0,0,0|2,0,0]=4 2369 B12R0.285 CCNC(=O)CCNC(=O)CSC 1626a_100025743525_100000184570 [0,2,0,0,0,0|2,0,0]=4 2370 B12R0.285 CCNC(=O)CCNC(=O)CSC 240690a_100025743525_100000184570 [0,2,0,0,0,0|2,0,0]=4 2371 B12R0.285 CCNC(=O)CCNC(=O)CSC 527a_100025743525_100000184570 [0,2,0,0,0,0|2,0,0]=4 2372 B12R0.285 CCNC(=O)CCNC(=O)NCC 2708a_100015525214_100025743525 [0,2,0,0,0,0|2,0,0]=4 2373 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100015525214_100025743525 [0,2,0,0,0,0|2,0,0]=4 2374 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100025743525_100015525214 [0,2,0,0,0,0|2,0,0]=4 2375 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100015525214_100025743525 [0,2,0,0,0,0|2,0,0]=4 2376 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100025743525_100015525214 [0,2,0,0,0,0|2,0,0]=4 2377 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,2,0,0,0,0|2,0,0]=4 2378 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,2,0,0,0,0|2,0,0]=4 2379 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,2,0,0,0,0|2,0,0]=4 2380 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,2,0,0,0,0|2,0,0]=4 2381 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,2,0,0,0,0|2,0,0]=4 2382 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,2,0,0,0,0|2,0,0]=4 2383 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,2,0,0,0,0|2,0,0]=4 2384 B12R0.434 CC/C=C\CCOC(C)(C)CCBr 7a_100000702414_100015370543 [0,2,0,0,0,0|1,0,1]=4 2385 B12R0.434 CC/C=C\CCOC(C)(C)CCC 7a_100000748436_100015370543 [0,2,0,0,0,0|1,0,1]=4 2386 B12R0.57 CC/C=C/CCCOC(CC)CC 7a_100016287902_100000210505 [0,2,0,0,0,0|1,0,1]=4 2387 B12R0.57 CC/C=C\CCOCC(CC)CC 34a_100016288707_100011215472 [0,2,0,0,0,0|1,0,1]=4 2388 B12R0.57 CC/C=C\CCOCC(CC)CC 7a_100000703878_100015370543 [0,2,0,0,0,0|1,0,1]=4 2389 B12R0.57 CC/C=C\CCOCC(CC)CC 7a_100016288707_100011215472 [0,2,0,0,0,0|1,0,1]=4 2390 B12R0.57 CC/C=C\CCOCC(CC)OC 34a_100011934954_100015370543 [0,2,0,0,0,0|0,0,2]=4 2391 B12R0.57 CC/C=C\CCOCC(CC)OC 7a_100011934954_100015370543 [0,2,0,0,0,0|0,0,2]=4 2392 B12R0.57 CC/C=C\CCOCN(CC)CC 7a_200015374951_100015370543 [0,2,0,0,0,0|2,0,0]=4 2393 B12R0.102 C=CC(=O)OCCC(=O)C=CCC 1458a_100000212282_100009813456 [0,2,0,0,0,0|0,0,2]=4 2394 B12R0.102 CC=CCC(=O)CCOC(=O)NC 1458a_100121576822_200011997002 [0,2,0,0,0,0|1,0,1]=4 2395 B12R0.102 CCC#CC(=O)CCOC(=O)NC 1458a_100011827653_200011997002 [0,2,0,0,0,0|1,0,1]=4 2396 B12R0.102 CCC=CC(=O)CCCC(=O)NC 1458a_100000212282_100000741757 [0,2,0,0,0,0|2,0,0]=4 2397 B12R0.102 CCC=CC(=O)CCCC(=O)OC 1458a_100000212282_100011218270 [0,2,0,0,0,0|2,0,0]=4 2398 B12R0.102 CCC=CC(=O)CCOC(=O)NC 1458a_100000212282_200011997002 [0,2,0,0,0,0|1,0,0]=3 2399 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,2,0,0,0,0|1,0,1]=4 2400 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|0,0,2]=4 2401 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,2,0,0,0,0|1,0,1]=4 2402 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,2,0,0,0,0|1,0,1]=4 2403 B12R0.102 CCOCC(=O)CCOC(=O)NC 1458a_100000211967_200011997002 [0,2,0,0,0,0|1,0,1]=4 2404 B12R0.102 CCSCC(=O)CCOC(=O)NC 1458a_100000230394_200011997002 [0,2,0,0,0,0|1,0,1]=4 2405 B12R0.102 CNC(=O)OCCC(=O)C=COC 1458a_100016268678_200011997002 [0,2,0,0,0,0|1,0,1]=4 2406 B12R0.102 CNC(=O)OCCC(=O)CCOC 1458a_100000749529_200011997002 [0,2,0,0,0,0|1,0,1]=4 2407 B12R0.102 CNC(=O)OCCC(=O)CCSC 1458a_100000174002_200011997002 [0,2,0,0,0,0|1,0,1]=4 2408 B12R0.113 CC/C=C\CCC(=O)C=C(C)CC 1458a_100020758463_100015370543 [0,2,0,0,0,0|2,0,0]=4 2409 B12R0.113 CC/C=C\CCC(=O)CC(=O)OC 1458a_100000211351_100015370543 [0,2,0,0,0,0|2,0,0]=4 2410 B12R0.113 CC/C=C\CCN(C)CC(=O)NC 2230a_100000189611_100015370543 [0,2,0,0,0,0|2,0,0]=4 2411 B12R0.113 CC/C=C\CCN(C)CC(=O)OC 2230a_100000198492_100015370543 [0,2,0,0,0,0|2,0,0]=4 2412 B12R0.113 CC/C=C\COC(C)CC(=O)OC 34a_100016268518_100009817358 [0,2,0,0,0,0|2,0,0]=4 2413 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100009817358_100103147603 [0,2,0,0,0,0|2,0,0]=4 2414 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100103147603_100009817358 [0,2,0,0,0,0|2,0,0]=4 2415 B12R0.113 CCC/C=C/CC(=O)CC(=O)CC 1458a_200016266809_100000747405 [0,2,0,0,0,0|1,0,1]=4 2416 B12R0.142 CC/C=C/CC(=O)NNC(=O)CC 22a_100000183195_100016274230 [0,2,0,0,0,0|1,0,1]=4 2417 B12R0.142 CC/C=C\CC(=O)CCC(=O)NC 1458a_100011309844_100103147603 [0,2,0,0,0,0|2,0,0]=4 2418 B12R0.142 CC/C=C\CC(=O)CCC(=O)OC 1458a_100000187943_100103147603 [0,2,0,0,0,0|2,0,0]=4 2419 B12R0.142 CC/C=C\CC(=O)CCS(=O)CC 1458a_100011387550_100103147603 [0,2,0,0,0,0|2,0,0]=4 2420 B12R0.142 CC/C=C\CC(=O)CNC(=O)CC 1458a_100000194589_100103147603 [0,2,0,0,0,0|1,0,0]=3 2421 B12R0.142 CC/C=C\CC(=O)CNC(=O)OC 1458a_100000215747_100103147603 [0,2,0,0,0,0|2,0,0]=4 2422 B12R0.142 CC/C=C\CN(C)CCC(=O)NC 2230a_100000750875_100103147603 [0,2,0,0,0,0|2,0,0]=4 2423 B12R0.142 CC/C=C\CN(C)CCC(=O)NC 269982a_100000750875_100103147603 [0,2,0,0,0,0|2,0,0]=4 2424 B12R0.142 CC/C=C\CN(C)CCC(=O)OC 269982a_100025711912_100103147603 [0,2,0,0,0,0|2,0,0]=4 2425 B12R0.142 CCC#CCC(C)OCC(=O)CC 7a_200000035118_100000747405 [0,2,0,0,0,0|0,0,2]=4 2426 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|0,0,2]=4 2427 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|0,0,2]=4 2428 B12R0.183 CCC(=O)COC/C=C/C(=O)OC 34a_100000725409_100000742655 [0,2,0,0,0,0|1,0,1]=4 2429 B12R0.183 CCC(=O)COCCCC(=O)NC 34a_100000725409_100000741757 [0,2,0,0,0,0|1,0,1]=4 2430 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [0,2,0,0,0,0|1,0,1]=4 2431 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|0,0,2]=4 2432 B12R0.183 CCC(=O)COCCNC(=O)CC 7a_200000158885_100000747405 [0,2,0,0,0,0|1,0,0]=3 2433 B12R0.183 CCC(=O)COCCOC(=O)CC 7a_200000031056_100000747405 [0,2,0,0,0,0|0,0,1]=3 2434 B12R0.183 CCC(=O)COCCOC(=O)NC 34a_100000725409_200011997002 [0,2,0,0,0,0|1,0,1]=4 2435 B12R0.183 CCC(=O)CSCCOC(=O)NC 62a_100000747405_200011997002 [0,2,0,0,0,0|1,0,1]=4 2436 B12R0.183 CCC(=O)CSCCOC(=O)NC 62a_200011997002_100000747405 [0,2,0,0,0,0|1,0,1]=4 2437 B12R0.183 CCC(=O)NCCOCC(=O)NC 34a_200000158885_100000183359 [0,2,0,0,0,0|2,0,0]=4 2438 B12R0.183 CCC(=O)NCCOCC(=O)NC 7a_200000158885_100000183359 [0,2,0,0,0,0|2,0,0]=4 2439 B12R0.183 CCC(=O)NCCOCC(=O)OC 34a_200000158885_100000747449 [0,2,0,0,0,0|2,0,0]=4 2440 B12R0.183 CCC(=O)NCCOCC(=O)OC 7a_200000158885_100000747449 [0,2,0,0,0,0|2,0,0]=4 2441 B12R0.183 CCC(=O)OCCOCC(=O)NC 7a_200000031056_100000183359 [0,2,0,0,0,0|1,0,1]=4 2442 B12R0.183 CCC(=O)OCCOCC(=O)OC 7a_200000031056_100000747449 [0,2,0,0,0,0|1,0,1]=4 2443 B12R0.183 CCC(=O)OCCOCC(C)CC 7a_200000031056_100000748023 [0,2,0,0,0,0|0,0,2]=4 2444 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [0,2,0,0,0,0|0,0,2]=4 2445 B12R0.183 CCC(=O)OCCOCC(O)CO 7a_200000031056_100011219619 [0,2,0,0,0,0|1,0,1]=4 2446 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 7a_200000031056_100009816398 [0,2,0,0,0,0|0,0,2]=4 2447 B12R0.183 CCC(=O)OCCOC[C@@H](C)CO 7a_200000031056_100000059175 [0,2,0,0,0,0|1,0,1]=4 2448 B12R0.183 CCC(=O)OCCOC[C@@H](O)CF 7a_200000031056_100015614560 [0,2,0,0,0,0|1,0,1]=4 2449 B12R0.183 CCC(=O)OCCOC[C@@H](O)CO 7a_200000031056_100009815848 [0,2,0,0,0,0|1,0,1]=4 2450 B12R0.184 C=C(C)CCOCCOC(=O)CC 7a_200000031056_100000730704 [0,2,0,0,0,0|1,0,1]=4 2451 B12R0.184 CC(C)/C=C/CCCCC(=O)CF 1458a_200016995844_100015361967 [0,2,0,0,0,0|2,0,0]=4 2452 B12R0.184 CCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210202 [0,2,0,0,0,0|1,0,0]=3 2453 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|0,0,2]=4 2454 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|0,0,2]=4 2455 B12R0.184 CCC(=O)COCCOCC(C)C 7a_100000703358_100000747405 [0,2,0,0,0,0|1,0,1]=4 2456 B12R0.184 CCC(=O)COCCSCC(C)C 7a_200000230437_100000747405 [0,2,0,0,0,0|1,0,1]=4 2457 B12R0.184 CCC(=O)OCCOCC=C(C)C 7a_200000031056_100000761012 [0,2,0,0,0,0|0,0,2]=4 2458 B12R0.184 CCC(=O)OCCOCCC(=O)C 7a_200000031056_100000053229 [0,2,0,0,0,0|1,0,1]=4 2459 B12R0.184 CCC(=O)OCCOCCC(C)C 7a_200000031056_100000210626 [0,2,0,0,0,0|0,0,2]=4 2460 B12R0.184 CCC(=O)OCCOCCC(C)O 7a_200000031056_100012276601 [0,2,0,0,0,0|0,0,2]=4 2461 B12R0.184 CCC(=O)OCCOCCN(C)C 7a_200000031056_100000755713 [0,2,0,0,0,0|1,0,1]=4 2462 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 11a_106832991635_200016995844 [0,2,0,0,0,0|2,0,0]=4 2463 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 1626a_100102657272_200016995844 [0,2,0,0,0,0|2,0,0]=4 2464 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 240690a_100102657272_200016995844 [0,2,0,0,0,0|2,0,0]=4 2465 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 527a_100102657272_200016995844 [0,2,0,0,0,0|2,0,0]=4 2466 B12R0.248 C#CCCCOCCOC(=O)CC 7a_200000031056_100011215417 [0,2,0,0,0,0|1,0,1]=4 2467 B12R0.248 C=CC(=O)OCCOC/C=C\CC 34a_100016268518_100009813456 [0,2,0,0,0,0|0,0,2]=4 2468 B12R0.248 C=CC(=O)OCCSC/C=C\CC 62a_100009813456_100103147603 [0,2,0,0,0,0|0,0,2]=4 2469 B12R0.248 C=CC(=O)OCCSC/C=C\CC 62a_100103147603_100009813456 [0,2,0,0,0,0|0,0,2]=4 2470 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [0,2,0,0,0,0|1,0,1]=4 2471 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,2,0,0,0,0|0,0,0]=2 2472 B12R0.248 CC/C=C/CCCOCC(=O)NC 34a_100016287902_100000183359 [0,2,0,0,0,0|1,0,0]=3 2473 B12R0.248 CC/C=C/CCCOCC(=O)NC 7a_100016287902_100000183359 [0,2,0,0,0,0|1,0,0]=3 2474 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,2,0,0,0,0|1,0,0]=3 2475 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,2,0,0,0,0|1,0,0]=3 2476 B12R0.248 CC/C=C/CCCOCC(C)CC 34a_100016287902_100000748023 [0,2,0,0,0,0|1,0,1]=4 2477 B12R0.248 CC/C=C/CCCOCC(C)CC 7a_100016287902_100000748023 [0,2,0,0,0,0|1,0,1]=4 2478 B12R0.248 CC/C=C/CCCOCC(O)CC 34a_100016287902_100011218378 [0,2,0,0,0,0|0,0,2]=4 2479 B12R0.248 CC/C=C/CCCOCC(O)CC 7a_100016287902_100011218378 [0,2,0,0,0,0|0,0,2]=4 2480 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 34a_100016287902_100009816398 [0,2,0,0,0,0|1,0,1]=4 2481 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 7a_100016287902_100009816398 [0,2,0,0,0,0|1,0,1]=4 2482 B12R0.248 CC/C=C\CCC=NNC(=O)CC 4a_100000183195_100016279218 [0,2,0,0,0,0|1,0,0]=3 2483 B12R0.248 CC/C=C\CCCCOC(C)CC 34a_100016287862_100011215416 [0,2,0,0,0,0|1,0,1]=4 2484 B12R0.248 CC/C=C\CCCCOC(C)CC 7a_100016287862_100000758301 [0,2,0,0,0,0|1,0,1]=4 2485 B12R0.248 CC/C=C\CCNCCC(=O)NC 2230a_100000738227_100015370543 [0,2,0,0,0,0|2,0,0]=4 2486 B12R0.248 CC/C=C\CCNCCC(=O)NC 34a_100000738227_100015370543 [0,2,0,0,0,0|2,0,0]=4 2487 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100000754576_100015370543 [0,2,0,0,0,0|1,0,0]=3 2488 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100016288707_100012179268 [0,2,0,0,0,0|1,0,0]=3 2489 B12R0.248 CC/C=C\CCOCCC(=O)NC 7a_100016288707_100000737683 [0,2,0,0,0,0|1,0,0]=3 2490 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [0,2,0,0,0,0|1,0,0]=3 2491 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [0,2,0,0,0,0|1,0,0]=3 2492 B12R0.248 CC/C=C\CCOCCC(C)CC 7a_100011215188_100015370543 [0,2,0,0,0,0|1,0,1]=4 2493 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100000737683_100015370543 [0,2,0,0,0,0|1,1,0]=4 2494 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100015370543_100000737683 [0,2,0,0,0,0|1,1,0]=4 2495 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,2,0,0,0,0|1,1,0]=4 2496 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,2,0,0,0,0|1,1,0]=4 2497 B12R0.248 CC/C=C\CCSCOC(=O)OC 62a_100015370543_100000139417 [0,2,0,0,0,0|1,0,0]=3 2498 B12R0.248 CC/C=C\CNCCCC(=O)NC 2230a_100000740002_100103147603 [0,2,0,0,0,0|2,0,0]=4 2499 B12R0.248 CC/C=C\CNCCCC(=O)NC 34a_100000740002_100103147603 [0,2,0,0,0,0|2,0,0]=4 2500 B12R0.248 CC/C=C\CNCCNC(=O)CC 34a_100132302217_100103147603 [0,2,0,0,0,0|1,0,0]=3 2501 B12R0.248 CC/C=C\CNCCNC(=O)NC 34a_100015205895_100103147603 [0,2,0,0,0,0|2,0,0]=4 2502 B12R0.248 CC/C=C\COC/C=C/C(=O)OC 34a_100016268518_100000742655 [0,2,0,0,0,0|2,0,0]=4 2503 B12R0.248 CC/C=C\COCCCC(=O)NC 34a_100016268518_100000741757 [0,2,0,0,0,0|2,0,0]=4 2504 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [0,2,0,0,0,0|2,0,0]=4 2505 B12R0.248 CC/C=C\COCCNC(=O)CC 34a_200000158885_100103147603 [0,2,0,0,0,0|1,0,0]=3 2506 B12R0.248 CC/C=C\COCCNC(=O)CC 7a_200000158885_100103147603 [0,2,0,0,0,0|1,0,0]=3 2507 B12R0.248 CC/C=C\COCCNC(=O)OC 34a_100000757965_100103147603 [0,2,0,0,0,0|2,0,0]=4 2508 B12R0.248 CC/C=C\COCCOC(=O)CC 7a_200000031056_100103147603 [0,2,0,0,0,0|0,0,0]=2 2509 B12R0.248 CC/C=C\COCCOC(=O)NC 34a_100016268518_200011997002 [0,2,0,0,0,0|1,0,0]=3 2510 B12R0.248 CC/C=C\COCCOC(=O)OC 34a_100010262106_100103147603 [0,2,0,0,0,0|1,0,0]=3 2511 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100000742655_100103147603 [0,2,0,0,0,0|2,0,0]=4 2512 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100103147603_100000742655 [0,2,0,0,0,0|2,0,0]=4 2513 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100000741757_100103147603 [0,2,0,0,0,0|2,0,0]=4 2514 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100103147603_100000741757 [0,2,0,0,0,0|2,0,0]=4 2515 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [0,2,0,0,0,0|2,0,0]=4 2516 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [0,2,0,0,0,0|2,0,0]=4 2517 B12R0.248 CC/C=C\CSCCOC(=O)NC 62a_100103147603_200011997002 [0,2,0,0,0,0|1,0,0]=3 2518 B12R0.248 CC/C=C\CSCCOC(=O)NC 62a_200011997002_100103147603 [0,2,0,0,0,0|1,0,0]=3 2519 B12R0.248 CCC#CCOCCOC(=O)CC 7a_200000031056_100009813939 [0,2,0,0,0,0|0,0,2]=4 2520 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|0,0,2]=4 2521 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|0,0,2]=4 2522 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|0,0,2]=4 2523 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|0,0,2]=4 2524 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|0,0,2]=4 2525 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,2,0,0,0,0|1,0,1]=4 2526 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,2,0,0,0,0|1,0,1]=4 2527 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,2,0,0,0,0|1,0,1]=4 2528 B12R0.248 CCC(=O)OCCOCCCC#N 7a_200000031056_100000687738 [0,2,0,0,0,0|1,0,1]=4 2529 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,2,0,0,0,0|1,0,1]=4 2530 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,2,0,0,0,0|0,0,2]=4 2531 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,2,0,0,0,0|0,0,2]=4 2532 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,2,0,0,0,0|0,0,2]=4 2533 B12R0.248 CCC/C=C/COCCC(=O)NC 34a_100016278788_100012179268 [0,2,0,0,0,0|2,0,0]=4 2534 B12R0.248 CCC/C=C/COCCC(=O)NC 7a_100016278788_100000737683 [0,2,0,0,0,0|2,0,0]=4 2535 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [0,2,0,0,0,0|2,0,0]=4 2536 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [0,2,0,0,0,0|2,0,0]=4 2537 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [0,2,0,0,0,0|0,0,2]=4 2538 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [0,2,0,0,0,0|0,0,2]=4 2539 B12R0.248 CCCC/C=C\CCOC(C)CC 34a_200016286491_100011215416 [0,2,0,0,0,0|1,0,1]=4 2540 B12R0.248 CCCC/C=C\CCOC(C)CC 7a_200016286491_100000758301 [0,2,0,0,0,0|1,0,1]=4 2541 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|0,0,2]=4 2542 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|0,0,2]=4 2543 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|0,0,2]=4 2544 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|0,0,2]=4 2545 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|0,0,2]=4 2546 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|0,0,2]=4 2547 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|0,0,2]=4 2548 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,2,0,0,0,0|0,0,2]=4 2549 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,2,0,0,0,0|0,0,2]=4 2550 B12R0.251 C/C=C/C=C/COCC(=O)C(C)C 34a_100016283227_100000753385 [0,2,0,0,0,0|0,0,2]=4 2551 B12R0.251 CC/C=C\CCNCC(=O)N(C)C 2230a_100015183351_100015370543 [0,2,0,0,0,0|2,0,0]=4 2552 B12R0.251 CC/C=C\CCOCC(=O)C(=O)C 34a_100016288707_100011261029 [0,2,0,0,0,0|0,0,1]=3 2553 B12R0.251 CC/C=C\CCOCC(=O)C(C)C 34a_100016288707_100000753385 [0,2,0,0,0,0|0,0,0]=2 2554 B12R0.251 CC/C=C\CCOCC(=O)C(C)C 7a_100016288707_100000753385 [0,2,0,0,0,0|0,0,0]=2 2555 B12R0.251 CC/C=C\CCOCC(=O)N(C)C 34a_100016288707_100000692301 [0,2,0,0,0,0|1,0,0]=3 2556 B12R0.251 CC/C=C\CCOCC(=O)N(C)C 7a_100016288707_100000692301 [0,2,0,0,0,0|1,0,0]=3 2557 B12R0.251 CC/C=C\CCOC[C@H](N)C(C)C 34a_100011830312_100015370543 [0,2,0,0,0,0|1,0,1]=4 2558 B12R0.251 CC/C=C\CCSCC(=O)C(=O)C 62a_100011261029_100015370543 [0,2,0,0,0,0|0,1,1]=4 2559 B12R0.251 CC/C=C\CCSCC(=O)C(=O)C 62a_100015370543_100011261029 [0,2,0,0,0,0|0,1,1]=4 2560 B12R0.251 CC/C=C\CCSCC(=O)C(C)C 62a_100000753385_100015370543 [0,2,0,0,0,0|0,1,0]=3 2561 B12R0.251 CC/C=C\CCSCC(=O)C(C)C 62a_100015370543_100000753385 [0,2,0,0,0,0|0,1,0]=3 2562 B12R0.251 CC/C=C\CCSCC(=O)N(C)C 62a_100000692301_100015370543 [0,2,0,0,0,0|1,1,0]=4 2563 B12R0.251 CC/C=C\CCSCC(=O)N(C)C 62a_100015370543_100000692301 [0,2,0,0,0,0|1,1,0]=4 2564 B12R0.251 CC/C=C\CNCCC(=O)N(C)C 2230a_100000738053_100103147603 [0,2,0,0,0,0|2,0,0]=4 2565 B12R0.251 CC/C=C\COCCC(=O)N(C)C 34a_200000747469_100103147603 [0,2,0,0,0,0|2,0,0]=4 2566 B12R0.251 CC/C=C\CSCCC(=O)N(C)C 62a_100000737620_100103147603 [0,2,0,0,0,0|2,0,0]=4 2567 B12R0.251 CC/C=C\CSCCC(=O)N(C)C 62a_100103147603_100000737620 [0,2,0,0,0,0|2,0,0]=4 2568 B12R0.251 CC/C=C\CSCOC(=O)C(C)C 62a_100000139345_100103147603 [0,2,0,0,0,0|0,0,0]=2 2569 B12R0.251 CC/C=C\CSCOC(=O)C(C)C 62a_100103147603_100000139345 [0,2,0,0,0,0|0,0,0]=2 2570 B12R0.251 CC=C=CCCOCC(=O)C(C)C 34a_100011020354_100000753385 [0,2,0,0,0,0|0,0,2]=4 2571 B12R0.251 CC=CCCCOCC(=O)C(C)C 34a_100020645299_100000753385 [0,2,0,0,0,0|0,0,2]=4 2572 B12R0.251 CCC#CCCOCC(=O)C(C)C 34a_100000036655_100000753385 [0,2,0,0,0,0|0,0,2]=4 2573 B12R0.251 CCC#CCCOCC(=O)C(C)C 7a_100000036655_100000753385 [0,2,0,0,0,0|0,0,2]=4 2574 B12R0.251 CCC#CCSCOC(=O)C(C)C 62a_100000139345_100009813939 [0,2,0,0,0,0|0,0,2]=4 2575 B12R0.251 CCC#CCSCOC(=O)C(C)C 62a_100009813939_100000139345 [0,2,0,0,0,0|0,0,2]=4 2576 B12R0.251 CCC/C=C/COCC(=O)C(C)C 34a_100016278788_100000753385 [0,2,0,0,0,0|0,0,2]=4 2577 B12R0.251 CCC/C=C/COCC(=O)C(C)C 7a_100016278788_100000753385 [0,2,0,0,0,0|0,0,2]=4 2578 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|0,0,2]=4 2579 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|0,0,2]=4 2580 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000139345_100000210326 [0,2,0,0,0,0|0,0,2]=4 2581 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000210326_100000139345 [0,2,0,0,0,0|0,0,2]=4 2582 B12R0.251 CCCOCCOCC(=O)C(C)C 34a_100000752267_100000753385 [0,2,0,0,0,0|1,0,1]=4 2583 B12R0.251 CCCOCCOCC(=O)C(C)C 7a_100000752267_100000753385 [0,2,0,0,0,0|1,0,1]=4 2584 B12R0.251 CCCSCCOCC(=O)C(C)C 34a_200000230433_100000753385 [0,2,0,0,0,0|1,0,1]=4 2585 B12R0.251 CCCSCCOCC(=O)C(C)C 7a_200000230433_100000753385 [0,2,0,0,0,0|1,0,1]=4 2586 B12R0.251 CCOCCCOCC(=O)C(C)C 34a_100000757476_100000753385 [0,2,0,0,0,0|1,0,1]=4 2587 B12R0.251 CCOCCCOCC(=O)C(C)C 7a_100000757476_100000753385 [0,2,0,0,0,0|1,0,1]=4 2588 B12R0.251 CCOCCSCOC(=O)C(C)C 62a_100000139345_100011215890 [0,2,0,0,0,0|1,0,1]=4 2589 B12R0.251 CCOCCSCOC(=O)C(C)C 62a_100000210147_100000139345 [0,2,0,0,0,0|1,0,1]=4 2590 B12R0.251 CCSCCCOCC(=O)C(C)C 34a_100011216438_100000753385 [0,2,0,0,0,0|1,0,1]=4 2591 B12R0.251 CCSCCCOCC(=O)C(C)C 7a_100011216438_100000753385 [0,2,0,0,0,0|1,0,1]=4 2592 B12R0.251 CCSCCSCOC(=O)C(C)C 62a_100000139345_100000757381 [0,2,0,0,0,0|1,0,1]=4 2593 B12R0.251 CCSCCSCOC(=O)C(C)C 62a_100000757381_100000139345 [0,2,0,0,0,0|1,0,1]=4 2594 B12R0.312 CC/C=C/CCCOC(C)(C)CC 7a_100016287902_100000210677 [0,2,0,0,0,0|1,0,1]=4 2595 B12R0.312 CC/C=C\CCOCC(C)(C)CC 7a_100000765029_100015370543 [0,2,0,0,0,0|1,0,1]=4 2596 B12R0.312 CC/C=C\CNCCS(=O)(=O)CC 2230a_100000751051_100103147603 [0,2,0,0,0,0|2,0,0]=4 2597 B12R0.312 CC/C=C\CNCCS(=O)(=O)CC 34a_100000751051_100103147603 [0,2,0,0,0,0|2,0,0]=4 2598 B12R0.312 CC/C=C\COCCS(=O)(=O)CC 34a_100016268518_100000756660 [0,2,0,0,0,0|2,0,0]=4 2599 B12R0.312 CC/C=C\COCCS(=O)(=O)CC 34a_200011216379_100103147603 [0,2,0,0,0,0|2,0,0]=4 2600 B12R0.312 CC/C=C\COCCS(=O)(=O)CC 7a_200011216379_100103147603 [0,2,0,0,0,0|2,0,0]=4 2601 B12R0.312 CC/C=C\CSCCS(=O)(=O)CC 62a_100000756660_100103147603 [0,2,0,0,0,0|2,0,0]=4 2602 B12R0.312 CC/C=C\CSCCS(=O)(=O)CC 62a_100103147603_100000756660 [0,2,0,0,0,0|2,0,0]=4 2603 B12R0.46 CC/C=C\CCC(=O)C(=O)N(C)C 1458a_100011218876_100015370543 [0,2,0,0,0,0|2,0,0]=4 2604 B12R0.46 CC/C=C\CSC(C)C(=O)C(C)C 62a_100009893295_100103147603 [0,2,0,0,0,0|2,0,0]=4 2605 B12R0.46 CC/C=C\CSC(C)C(=O)C(C)C 62a_100103147603_100009893295 [0,2,0,0,0,0|2,0,0]=4 2606 B12R0.48 CCC=CC(=O)COC(=O)C(C)C 1458a_100000212282_100000139345 [0,2,0,0,0,0|0,0,1]=3 2607 B12R0.48 COC=CC(=O)COC(=O)C(C)C 1458a_100016268678_100000139345 [0,2,0,0,0,0|1,0,1]=4 2608 B12R0.58 CC/C=C\CCOC(C)(C)C(C)C 7a_100011215261_100015370543 [0,2,0,0,0,0|1,0,1]=4 2609 B12R0.123 CC/C=C/CC(=O)CC(=O)C(C)C 1458a_100016274230_100000753385 [0,2,0,0,0,0|1,0,1]=4 2610 B12R0.186 CCC(=O)CSCOC(=O)C(C)C 62a_100000139345_100000747405 [0,2,0,0,0,0|1,0,1]=4 2611 B12R0.186 CCC(=O)CSCOC(=O)C(C)C 62a_100000747405_100000139345 [0,2,0,0,0,0|1,0,1]=4 2612 B12R0.186 CCC(=O)NCCNC(=O)C(C)C 11a_100000752568_100000210414 [0,2,0,0,0,0|2,0,0]=4 2613 B12R0.186 CCC(=O)NCCNC(=O)C(C)C 11a_100132302217_100000210198 [0,2,0,0,0,0|2,0,0]=4 2614 B12R0.186 CCC(=O)NCCNC(=O)C(C)C 1626a_100132302217_100000210198 [0,2,0,0,0,0|2,0,0]=4 2615 B12R0.186 CCC(=O)NCCNC(=O)C(C)C 240690a_100000752568_100000210414 [0,2,0,0,0,0|2,0,0]=4 2616 B12R0.186 CCC(=O)NCCNC(=O)C(C)C 240690a_100132302217_100000210198 [0,2,0,0,0,0|2,0,0]=4 2617 B12R0.186 CCC(=O)NCCNC(=O)C(C)C 527a_100000752568_100000210414 [0,2,0,0,0,0|2,0,0]=4 2618 B12R0.186 CCC(=O)NCCNC(=O)C(C)C 527a_100132302217_100000210198 [0,2,0,0,0,0|2,0,0]=4 2619 B12R0.186 CCC(=O)NCCNC(=O)C(C)F 11a_100132302217_100000062450 [0,2,0,0,0,0|2,0,0]=4 2620 B12R0.186 CCC(=O)NCCNC(=O)C(C)F 1626a_100132302217_100000062450 [0,2,0,0,0,0|2,0,0]=4 2621 B12R0.186 CCC(=O)NCCNC(=O)C(C)F 240690a_100132302217_100000062450 [0,2,0,0,0,0|2,0,0]=4 2622 B12R0.186 CCC(=O)NCCNC(=O)C(C)F 527a_100132302217_100000062450 [0,2,0,0,0,0|2,0,0]=4 2623 B12R0.186 CCC(=O)NCCNC(=O)[C@@H](C)O 240690a_100132302217_100000717761 [0,2,0,0,0,0|2,0,0]=4 2624 B12R0.186 CCC(=O)NCCNC(=O)[C@H](C)O 1626a_100132302217_217856618621 [0,2,0,0,0,0|2,0,0]=4 2625 B12R0.186 CCC(=O)NCCNC(=O)[C@H](C)O 240690a_100132302217_217856618621 [0,2,0,0,0,0|2,0,0]=4 2626 B12R0.201 C#CC(OCC/C=C\CC)C(C)C 34a_100011217124_100015370543 [0,2,0,0,0,0|1,0,1]=4 2627 B12R0.201 C#CC(OCC/C=C\CC)C(C)C 7a_100011217124_100015370543 [0,2,0,0,0,0|1,0,1]=4 2628 B12R0.201 C=CC(OCC/C=C\CC)C(C)C 34a_100000732651_100015370543 [0,2,0,0,0,0|1,0,1]=4 2629 B12R0.201 C=CC(OCC/C=C\CC)C(C)C 7a_100000732651_100015370543 [0,2,0,0,0,0|1,0,1]=4 2630 B12R0.201 CC/C=C\CCNC(CC)C(=O)N 2230a_100000733705_100015370543 [0,2,0,0,0,0|1,0,1]=4 2631 B12R0.201 CC/C=C\CCNC(CC)C(=O)N 34a_100000733705_100015370543 [0,2,0,0,0,0|1,0,1]=4 2632 B12R0.201 CC/C=C\CCN[C@H](CC)C(=O)O 269956a_100000747097_100015370543 [0,2,0,0,0,0|1,0,1]=4 2633 B12R0.201 CC/C=C\CCOC(C#N)C(C)C 34a_100000748901_100015370543 [0,2,0,0,0,0|1,0,1]=4 2634 B12R0.201 CC/C=C\CCOC(C#N)C(C)C 7a_100000748901_100015370543 [0,2,0,0,0,0|1,0,1]=4 2635 B12R0.201 CC/C=C\CCOC(CC)C(=O)N 34a_100016288707_100000750255 [0,2,0,0,0,0|0,0,1]=3 2636 B12R0.201 CC/C=C\CCOC(CC)C(=O)N 7a_100016288707_100000750255 [0,2,0,0,0,0|0,0,1]=3 2637 B12R0.201 CC/C=C\CCOC(CC)C(C)C 34a_100011218073_100015370543 [0,2,0,0,0,0|1,0,1]=4 2638 B12R0.201 CC/C=C\CCOC(CC)C(C)C 7a_100011218073_100015370543 [0,2,0,0,0,0|1,0,1]=4 2639 B12R0.201 CC/C=C\CCOC(CN)C(C)C 34a_100000759067_100015370543 [0,2,0,0,0,0|1,0,1]=4 2640 B12R0.201 CC/C=C\CCSC(CC)C(=O)N 62a_100000750255_100015370543 [0,2,0,0,0,0|0,1,1]=4 2641 B12R0.201 CC/C=C\CCSC(CC)C(=O)N 62a_100015370543_100000750255 [0,2,0,0,0,0|0,1,1]=4 2642 B12R0.237 CC/C=C\COCC(=O)C(C)(C)C 34a_100016268518_100000229897 [0,2,0,0,0,0|2,0,0]=4 2643 B12R0.237 CC/C=C\COCC(=O)C(C)(C)C 34a_200011592769_100103147603 [0,2,0,0,0,0|2,0,0]=4 2644 B12R0.237 CC/C=C\COCC(=O)C(C)(C)C 7a_200011592769_100103147603 [0,2,0,0,0,0|2,0,0]=4 2645 B12R0.237 CC/C=C\CSCC(=O)C(C)(C)C 62a_100000210923_100103147603 [0,2,0,0,0,0|2,0,0]=4 2646 B12R0.237 CC/C=C\CSCC(=O)C(C)(C)C 62a_100103147603_100000210923 [0,2,0,0,0,0|2,0,0]=4 2647 B12R0.237 CCCOCCOC(=O)C(C)(C)Br 34a_100009817195_100000210303 [0,2,0,0,0,0|1,0,1]=4 2648 B12R0.237 CCCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210303 [0,2,0,0,0,0|1,0,1]=4 2649 B12R0.279 C=C(C)C(=O)OCCC(=O)C=CC 1458a_100000210699_100009816335 [0,2,0,0,0,0|0,0,2]=4 2650 B12R0.279 C=C(C)C(=O)OCCC(=O)CCC 1458a_100000211992_100009816335 [0,2,0,0,0,0|0,0,2]=4 2651 B12R0.279 CCNC(=O)CCCC(=O)C(C)C 1458a_100000199580_100000210206 [0,2,0,0,0,0|2,0,0]=4 2652 B12R0.279 CCNC(=O)CCNC(=O)C(C)C 11a_100025743525_100000210198 [0,2,0,0,0,0|2,0,0]=4 2653 B12R0.279 CCNC(=O)CCNC(=O)C(C)C 1626a_100025743525_100000210198 [0,2,0,0,0,0|2,0,0]=4 2654 B12R0.279 CCNC(=O)CCNC(=O)C(C)C 240690a_100025743525_100000210198 [0,2,0,0,0,0|2,0,0]=4 2655 B12R0.279 CCNC(=O)CCNC(=O)C(C)C 527a_100025743525_100000210198 [0,2,0,0,0,0|2,0,0]=4 2656 B12R0.279 CCNC(=O)CCNC(=O)C(C)F 11a_100025743525_100000062450 [0,2,0,0,0,0|2,0,0]=4 2657 B12R0.279 CCNC(=O)CCNC(=O)C(C)F 1626a_100025743525_100000062450 [0,2,0,0,0,0|2,0,0]=4 2658 B12R0.279 CCNC(=O)CCNC(=O)C(C)F 240690a_100025743525_100000062450 [0,2,0,0,0,0|2,0,0]=4 2659 B12R0.279 CCNC(=O)CCNC(=O)C(C)F 527a_100025743525_100000062450 [0,2,0,0,0,0|2,0,0]=4 2660 B12R0.279 CCNC(=O)CCNC(=O)[C@@H](C)O 240690a_100025743525_100000717761 [0,2,0,0,0,0|2,0,0]=4 2661 B12R0.279 CCNC(=O)CCNC(=O)[C@H](C)O 1626a_100025743525_217856618621 [0,2,0,0,0,0|2,0,0]=4 2662 B12R0.279 CCNC(=O)CCNC(=O)[C@H](C)O 240690a_100025743525_217856618621 [0,2,0,0,0,0|2,0,0]=4 2663 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215271 [0,2,0,0,0,0|2,0,0]=4 2664 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210991_100000210206 [0,2,0,0,0,0|2,0,0]=4 2665 B12R0.279 CCOC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215271 [0,2,0,0,0,0|2,0,0]=4 2666 B12R0.279 CCOC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215271 [0,2,0,0,0,0|2,0,0]=4 2667 B12R0.279 CCOC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215271 [0,2,0,0,0,0|2,0,0]=4 2668 B12R0.279 CCOC(=O)CCNC(=O)C(C)C 188690a_100000746078_100000210198 [0,2,0,0,0,0|2,0,0]=4 2669 B12R0.279 CCOC(=O)CCNC(=O)C(C)F 188690a_100000746078_100000062450 [0,2,0,0,0,0|2,0,0]=4 2670 B12R0.279 CCOC(=O)CCNC(=O)[C@@H](C)O 188690a_100000746078_100000717761 [0,2,0,0,0,0|2,0,0]=4 2671 B12R0.279 CCOC(=O)CCNC(=O)[C@H](C)O 188690a_100000746078_217856618621 [0,2,0,0,0,0|2,0,0]=4 2672 B12R0.131 CCC(=O)OCCOC(C)(C)CC 7a_200000031056_100000210677 [0,2,0,0,0,0|1,0,1]=4 2673 B12R0.435 C#CC(C)(CC)OCC/C=C\CC 34a_100000686493_100015370543 [0,2,0,0,0,0|1,0,1]=4 2674 B12R0.435 C#CC(C)(CC)OCC/C=C\CC 7a_100000686493_100015370543 [0,2,0,0,0,0|1,0,1]=4 2675 B12R0.435 CC/C=C\CCOC(C)(C#N)CC 7a_100000760259_100015370543 [0,2,0,0,0,0|1,0,1]=4 2676 B12R0.435 CC/C=C\CCOC(C)(CC)CC 7a_100000755174_100015370543 [0,2,0,0,0,0|1,0,1]=4 2677 B12R0.435 CC/C=C\CCOC(C)(CC)CC 7a_100016288707_100009817345 [0,2,0,0,0,0|1,0,1]=4 2678 B12R0.130 CCC(=O)OCCOC(CC)CC 7a_200000031056_100000210505 [0,2,0,0,0,0|1,0,1]=4 2679 B12R0.156 C/C=C(\C)/C(=O)CCOC(=O)NC 1458a_100020587367_200011997002 [0,2,0,0,0,0|1,0,1]=4 2680 B12R0.156 CCC(C)C(=O)CCOC(=O)NC 1458a_100011192722_200011997002 [0,2,0,0,0,0|1,0,1]=4 2681 B12R0.156 CCC(O)C(=O)CCOC(=O)NC 1458a_100011196387_200011997002 [0,2,0,0,0,0|1,0,1]=4 2682 B12R0.156 CNC(=O)OCCC(=O)C(=O)NC 1458a_100011218921_200011997002 [0,2,0,0,0,0|2,0,0]=4 2683 B12R0.150 CCC(=O)OCCOCC(C)(C)O 7a_200000031056_100000764493 [0,2,0,0,0,0|1,0,1]=4 2684 B12R0.240 CCC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000747405 [0,2,0,0,0,0|1,0,1]=4 2685 B12R0.241 CNC(=O)OCCC(=O)C=C(C)C 1458a_100000211388_200011997002 [0,2,0,0,0,0|1,0,1]=4 2686 B12R0.241 CNC(=O)OCCC(=O)C=C(C)Cl 1458a_200042562850_200011997002 [0,2,0,0,0,0|1,0,1]=4 2687 B12R0.241 CNC(=O)OCCC(=O)C=C(C)I 1458a_100025716642_200011997002 [0,2,0,0,0,0|1,0,1]=4 2688 B12R0.241 CNC(=O)OCCC(=O)CC(C)C 1458a_100000210554_200011997002 [0,2,0,0,0,0|1,0,1]=4 2689 B12R0.241 CNC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_200011997002 [0,2,0,0,0,0|1,0,1]=4 2690 B12R0.79 CCOC(=O)CCC(C)C(=O)CC 1458a_100000210414_100000748298 [0,2,0,0,0,0|2,0,0]=4 2691 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 11a_100000745921_100000210414 [0,2,0,0,0,0|2,0,0]=4 2692 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 1626a_100000745921_100000210414 [0,2,0,0,0,0|2,0,0]=4 2693 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 240690a_100000745921_100000210414 [0,2,0,0,0,0|2,0,0]=4 2694 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 527a_100000745921_100000210414 [0,2,0,0,0,0|2,0,0]=4 2695 B12R0.110 CC/C=C/CC(=O)C(C)C(=O)CC 1458a_100016274230_100000742827 [0,2,0,0,0,0|1,0,1]=4 2696 B12R0.200 CC/C=C\COC(CC)C(=O)CC 34a_200011218131_100103147603 [0,2,0,0,0,0|2,0,0]=4 2697 B12R0.200 CC/C=C\COC(CC)C(=O)CC 7a_200011218131_100103147603 [0,2,0,0,0,0|2,0,0]=4 2698 B12R0.68 CCOC(=O)CC(C)NC(=O)CC 188690a_100000686176_100000210414 [0,2,0,0,0,0|2,0,0]=4 2699 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,1]=4 2700 B10R1.18 CC(C)OC1CC=CCC1 34a_100000073881_100000210206 [1,0,0,1,0,0|1,0,1]=4 2701 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [1,0,0,1,0,0|1,0,1]=4 2702 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [1,0,0,1,0,0|1,0,1]=4 2703 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [1,0,0,1,0,0|1,0,1]=4 2704 B10R1.177 CC/C=C\CCOC1CC1 34a_100016288707_100000211595 [1,0,0,1,0,0|1,0,1]=4 2705 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [1,0,0,1,0,0|1,0,0]=3 2706 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [1,0,0,1,0,0|1,0,0]=3 2707 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [1,0,0,1,0,0|0,0,1]=3 2708 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [1,0,0,1,0,0|2,0,0]=4 2709 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [1,0,0,1,0,0|2,0,0]=4 2710 B10R1.17 CSCOC1CC=CCC1 34a_100000073881_100011218213 [1,0,0,1,0,0|1,0,1]=4 2711 B10R1.17 FCCOC1CC=CCC1 34a_100000073881_100011217306 [1,0,0,1,0,0|1,0,1]=4 2712 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [1,0,0,1,0,0|1,0,1]=4 2713 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [1,0,0,1,0,0|1,0,1]=4 2714 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 2715 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 2716 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [1,0,0,1,0,0|1,0,1]=4 2717 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [1,0,0,1,0,0|1,0,1]=4 2718 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,1,0,0|2,0,0]=4 2719 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 2720 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [1,0,0,1,0,0|2,0,0]=4 2721 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 2722 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [1,0,0,1,0,0|0,0,2]=4 2723 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|0,0,2]=4 2724 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|0,0,2]=4 2725 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,0,0,1,0,0|1,0,1]=4 2726 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,0,0,1,0,0|1,0,1]=4 2727 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [1,0,0,1,0,0|1,0,1]=4 2728 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [1,0,0,1,0,0|1,0,1]=4 2729 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [1,0,0,1,0,0|1,0,1]=4 2730 B10R1.15 CCC(=O)N1CC=CCC1 11a_100000698166_100000210414 [1,0,0,1,0,0|1,0,0]=3 2731 B10R1.15 CCC(=O)N1CC=CCC1 1626a_100000698166_100000210414 [1,0,0,1,0,0|1,0,0]=3 2732 B10R1.15 CCC(=O)N1CC=CCC1 240690a_100000698166_100000210414 [1,0,0,1,0,0|1,0,0]=3 2733 B10R1.15 CCC(=O)N1CC=CCC1 527a_100000698166_100000210414 [1,0,0,1,0,0|1,0,0]=3 2734 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 2735 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 2736 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 2737 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 2738 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 2739 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 2740 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 2741 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [1,0,0,1,0,0|0,0,0]=2 2742 B10R1.15 CNC(=O)N1CC=CCC1 2708a_100102657272_100000698166 [1,0,0,1,0,0|2,0,0]=4 2743 B10R1.15 CNC(=O)N1CC=CCC1 273464a_100102657272_100000698166 [1,0,0,1,0,0|2,0,0]=4 2744 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [1,0,0,1,0,0|1,0,0]=3 2745 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [1,0,0,1,0,0|1,0,0]=3 2746 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [1,0,0,1,0,0|1,0,0]=3 2747 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [1,0,0,1,0,0|1,0,0]=3 2748 B10R1.15 O=C(CF)[C@H]1CC=CCC1 1458a_100009820709_100015361967 [1,0,0,1,0,0|1,0,0]=3 2749 B10R1.15 O=C(CO)N1CC=CCC1 240690a_100000698166_100000210174 [1,0,0,1,0,0|2,0,0]=4 2750 B10R1.15 O=C(CO)N1CC=CCC1 527a_100000698166_100000210174 [1,0,0,1,0,0|2,0,0]=4 2751 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [1,0,0,1,0,0|0,0,2]=4 2752 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [1,0,0,1,0,0|0,0,0]=2 2753 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [1,0,0,1,0,0|1,0,0]=3 2754 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|0,0,2]=4 2755 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|0,0,2]=4 2756 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|1,0,1]=4 2757 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [1,0,0,1,0,0|1,0,1]=4 2758 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [1,0,0,1,0,0|1,0,1]=4 2759 B10R1.27 CCC(=O)CN1CC=CC1 269982a_100015195280_100000747405 [1,0,0,1,0,0|2,0,0]=4 2760 B10R1.27 CCC(=O)NC1CC=CC1 11a_100015188752_100000210414 [1,0,0,1,0,0|1,0,0]=3 2761 B10R1.27 CCC(=O)NC1CC=CC1 1626a_100015188752_100000210414 [1,0,0,1,0,0|1,0,0]=3 2762 B10R1.27 CCC(=O)NC1CC=CC1 240690a_100015188752_100000210414 [1,0,0,1,0,0|1,0,0]=3 2763 B10R1.27 CCC(=O)NC1CC=CC1 527a_100015188752_100000210414 [1,0,0,1,0,0|1,0,0]=3 2764 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,0,0,1,0,0|1,0,1]=4 2765 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,0,0,1,0,0|1,0,1]=4 2766 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,0,0,1,0,0|1,0,1]=4 2767 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,0,0,1,0,0|1,0,1]=4 2768 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 2769 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 2770 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 2771 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 2772 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 2773 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 2774 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [1,0,0,1,0,0|1,0,0]=3 2775 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [1,0,0,1,0,0|1,0,0]=3 2776 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [1,0,0,1,0,0|1,0,0]=3 2777 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [1,0,0,1,0,0|1,0,0]=3 2778 B10R1.27 CNC(=O)CC1CC=CC1 11a_106832991635_200000137526 [1,0,0,1,0,0|2,0,0]=4 2779 B10R1.27 CNC(=O)CC1CC=CC1 1626a_100102657272_200000137526 [1,0,0,1,0,0|2,0,0]=4 2780 B10R1.27 CNC(=O)CC1CC=CC1 240690a_100102657272_200000137526 [1,0,0,1,0,0|2,0,0]=4 2781 B10R1.27 CNC(=O)CC1CC=CC1 527a_100102657272_200000137526 [1,0,0,1,0,0|2,0,0]=4 2782 B10R1.27 CNC(=O)NC1CC=CC1 2708a_100015188752_106832991635 [1,0,0,1,0,0|2,0,0]=4 2783 B10R1.27 CNC(=O)NC1CC=CC1 2708a_100102657272_100015188752 [1,0,0,1,0,0|2,0,0]=4 2784 B10R1.27 CNC(=O)NC1CC=CC1 273464a_100015188752_100102657272 [1,0,0,1,0,0|2,0,0]=4 2785 B10R1.27 CNC(=O)NC1CC=CC1 273464a_100102657272_100015188752 [1,0,0,1,0,0|2,0,0]=4 2786 B10R1.27 CNC(=O)NC1CC=CC1 512a_100015188752_100102657272 [1,0,0,1,0,0|2,0,0]=4 2787 B10R1.27 CNC(=O)NC1CC=CC1 512a_106832991638_100015188752 [1,0,0,1,0,0|2,0,0]=4 2788 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [1,0,0,1,0,0|1,0,0]=3 2789 B10R1.27 O=C(CF)CC1CC=CC1 1458a_200000137526_100015361967 [1,0,0,1,0,0|2,0,0]=4 2790 B10R1.27 O=C(CO)NC1CC=CC1 240690a_100015188752_100000210174 [1,0,0,1,0,0|2,0,0]=4 2791 B10R1.27 O=C(CO)NC1CC=CC1 527a_100015188752_100000210174 [1,0,0,1,0,0|2,0,0]=4 2792 B10R1.70 CC/C=C\COC1(CC1)C 7a_100011725673_100103147603 [1,0,0,1,0,0|1,0,1]=4 2793 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|0,0,2]=4 2794 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [1,0,0,1,0,0|1,0,1]=4 2795 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [1,0,0,1,0,0|1,0,1]=4 2796 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [1,0,0,1,0,0|1,0,1]=4 2797 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [1,0,0,1,0,0|1,0,1]=4 2798 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [1,0,0,1,0,0|1,0,1]=4 2799 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 2800 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 2801 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 2802 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 2803 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [1,0,0,1,0,0|1,0,1]=4 2804 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [1,0,0,1,0,0|1,0,1]=4 2805 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [1,0,0,1,0,0|1,0,1]=4 2806 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [1,0,0,1,0,0|1,0,1]=4 2807 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 2808 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 2809 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 2810 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 2811 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [1,0,0,1,0,0|1,0,1]=4 2812 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [1,0,0,1,0,0|1,0,1]=4 2813 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [1,0,0,1,0,0|1,0,1]=4 2814 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [1,0,0,1,0,0|2,0,0]=4 2815 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [1,0,0,1,0,0|2,0,0]=4 2816 B12R1.28 CC/C=C\CN1CCNC(=O)C1 2230a_100000184651_100103147603 [0,1,0,1,0,0|2,0,0]=4 2817 B12R1.28 CC/C=C\CN1CCOC(=O)C1 2230a_100000131268_100103147603 [0,1,0,1,0,0|2,0,0]=4 2818 B12R1.32 CC(CCO)OC1CC=CCC1 34a_100000073881_100009893172 [0,1,0,1,0,0|1,0,1]=4 2819 B12R1.32 CCCC(=O)CN1CC=CCC1 2230a_100000698166_100000747444 [0,1,0,1,0,0|2,0,0]=4 2820 B12R1.32 CCCC(=O)CN1CC=CCC1 269982a_100000698166_100000747444 [0,1,0,1,0,0|2,0,0]=4 2821 B12R1.32 CCCC(C)OC1CC=CCC1 34a_100000073881_100000766640 [0,1,0,1,0,0|1,0,1]=4 2822 B12R1.32 CCNC(=O)CN1CC=CCC1 2230a_100000698166_100000183381 [0,1,0,1,0,0|2,0,0]=4 2823 B12R1.32 CCNC(=O)CN1CC=CCC1 269982a_100000698166_100000183381 [0,1,0,1,0,0|2,0,0]=4 2824 B12R1.32 CCNC(=O)CN1CC=CCC1 34a_100000698166_100000183381 [0,1,0,1,0,0|2,0,0]=4 2825 B12R1.32 CCOC(=O)CN1CC=CCC1 2230a_100000698166_100000188475 [0,1,0,1,0,0|2,0,0]=4 2826 B12R1.32 CCOC(=O)CN1CC=CCC1 269982a_100000698166_100000188475 [0,1,0,1,0,0|2,0,0]=4 2827 B12R1.32 CCOC(=O)CN1CC=CCC1 34a_100000698166_100000188475 [0,1,0,1,0,0|2,0,0]=4 2828 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,1,0,1,0,0|0,0,2]=4 2829 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,1,0,1,0,0|0,0,2]=4 2830 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,1,0,1,0,0|0,0,2]=4 2831 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,1,0,1,0,0|0,0,2]=4 2832 B12R1.32 COCC(C)OC1CC=CCC1 34a_100000073881_100000765312 [0,1,0,1,0,0|1,0,1]=4 2833 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,1,0,1,0,0|0,0,2]=4 2834 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,1,0,1,0,0|0,0,2]=4 2835 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,1,0,1,0,0|0,0,2]=4 2836 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,1,0,1,0,0|0,0,2]=4 2837 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100000210269_100015370543 [0,1,0,1,0,0|1,0,1]=4 2838 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100016288707_100000179811 [0,1,0,1,0,0|1,0,1]=4 2839 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100000210269_100015370543 [0,1,0,1,0,0|1,0,1]=4 2840 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100016288707_100000179811 [0,1,0,1,0,0|1,0,1]=4 2841 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [0,1,0,1,0,0|0,0,2]=4 2842 B12R1.37 CC/C=C\CCOC1CCOC1 34a_100016288707_100000690089 [0,1,0,1,0,0|0,0,2]=4 2843 B12R1.37 CC/C=C\CCOC1CCOC1 7a_100016288707_100000731011 [0,1,0,1,0,0|0,0,2]=4 2844 B12R1.37 CC/C=C\CCOC1CCSC1 7a_100011232664_100015370543 [0,1,0,1,0,0|0,1,1]=4 2845 B12R1.37 CC/C=C\CCO[C@H]1CCOC1 34a_100000717292_100015370543 [0,1,0,1,0,0|0,0,2]=4 2846 B12R1.311 CC=CC(=O)CCC1CCC1=O 1458a_100000210699_200016118888 [0,1,0,1,0,0|1,0,1]=4 2847 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,1,0,0|1,0,1]=4 2848 B12R1.372 CC/C=C\CNC1CCNC1=O 2230a_100016995588_100103147603 [0,1,0,1,0,0|2,0,0]=4 2849 B12R1.372 CC/C=C\CNC1CCNC1=O 34a_100016995588_100103147603 [0,1,0,1,0,0|2,0,0]=4 2850 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [0,1,0,1,0,0|2,0,0]=4 2851 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [0,1,0,1,0,0|2,0,0]=4 2852 B12R1.372 CC/C=C\COC1CCOC1=O 34a_100016268518_100000211211 [0,1,0,1,0,0|2,0,0]=4 2853 B12R1.372 CC/C=C\CO[C@H]1CCNC1=O 34a_100000688343_100103147603 [0,1,0,1,0,0|2,0,0]=4 2854 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100000211823_100103147603 [0,1,0,1,0,0|2,0,0]=4 2855 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100103147603_100000211823 [0,1,0,1,0,0|2,0,0]=4 2856 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100000211211_100103147603 [0,1,0,1,0,0|2,0,0]=4 2857 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100103147603_100000211211 [0,1,0,1,0,0|2,0,0]=4 2858 B12R1.923 CC/C=C\CCOC(C)C1CC1 34a_100000744524_100015370543 [0,1,0,1,0,0|1,0,1]=4 2859 B12R1.923 CC/C=C\CCOC(C)C1CC1 7a_100000744524_100015370543 [0,1,0,1,0,0|1,0,1]=4 2860 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100000686663_100103147603 [0,1,0,1,0,0|2,0,0]=4 2861 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100016268518_100000746382 [0,1,0,1,0,0|2,0,0]=4 2862 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100000746382_100103147603 [0,1,0,1,0,0|2,0,0]=4 2863 B12R1.923 CC/C=C\CSCC(=O)C1CC1 62a_100103147603_100000746382 [0,1,0,1,0,0|2,0,0]=4 2864 B12R1.1564 C#CCC(=O)C1CCC=CCC1 1458a_100000048548_100000184674 [0,1,0,1,0,0|1,0,1]=4 2865 B12R1.1564 C=CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210623 [0,1,0,1,0,0|1,0,1]=4 2866 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,1,0,1,0,0|1,0,0]=3 2867 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [0,1,0,1,0,0|1,0,0]=3 2868 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [0,1,0,1,0,0|1,0,0]=3 2869 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [0,1,0,1,0,0|1,0,0]=3 2870 B12R1.1564 CNNC(=O)C1CCC=CCC1 22a_100016993582_100000048548 [0,1,0,1,0,0|2,0,0]=4 2871 B12R1.1564 N#CCC(=O)C1CCC=CCC1 1458a_100000048548_100011214920 [0,1,0,1,0,0|1,0,1]=4 2872 B12R1.1564 O=C(CCF)C1CCC=CCC1 1458a_100000048548_100011217306 [0,1,0,1,0,0|1,0,0]=3 2873 B12R1.1564 O=C(CCO)C1CCC=CCC1 1458a_100000048548_100000211926 [0,1,0,1,0,0|1,0,0]=3 2874 B12R1.1996 CC/C=C\CCOC1(CCC1)C 34a_100000759064_100015370543 [0,1,0,1,0,0|1,0,1]=4 2875 B12R1.1996 CC/C=C\CCOC1(CCC1)C 7a_100000759064_100015370543 [0,1,0,1,0,0|1,0,1]=4 2876 B12R1.1996 CC/C=C\CCOC1(CSC1)C 7a_100016018533_100015370543 [0,1,0,1,0,0|1,0,1]=4 2877 B12R1.1 C=C1CCN(CC1)C/C=C\CC 2230a_100000752442_100103147603 [0,1,0,1,0,0|2,0,0]=4 2878 B12R1.1 C=C1CCN(CC1)C/C=C\CC 269982a_100000752442_100103147603 [0,1,0,1,0,0|2,0,0]=4 2879 B12R1.1 C=C1CCN(CC1)C/C=C\CC 34a_100000752442_100103147603 [0,1,0,1,0,0|2,0,0]=4 2880 B12R1.1 CC/C=C\CN1CC=C(CC1)C 2230a_100000693516_100103147603 [0,1,0,1,0,0|2,0,0]=4 2881 B12R1.1 CC/C=C\CN1CC=C(CC1)C 269982a_100000693516_100103147603 [0,1,0,1,0,0|2,0,0]=4 2882 B12R1.1 CC/C=C\CN1CC=C(CC1)C 34a_100000693516_100103147603 [0,1,0,1,0,0|2,0,0]=4 2883 B12R1.1 CC/C=C\CN1CCS(=O)CC1 2230a_100000752083_100103147603 [0,1,0,1,0,0|2,0,0]=4 2884 B12R1.1 CC/C=C\CN1CCS(=O)CC1 269982a_100000752083_100103147603 [0,1,0,1,0,0|2,0,0]=4 2885 B12R1.7 CC/C=C\CCN1CNC(=O)C1 2230a_200000708111_100015370543 [0,1,0,1,0,0|2,0,0]=4 2886 B12R1.7 CC/C=C\CNC1CNC(=O)C1 2230a_100000697751_100103147603 [0,1,0,1,0,0|2,0,0]=4 2887 B12R1.7 CC/C=C\COC1CCC(=O)C1 34a_100012614533_100103147603 [0,1,0,1,0,0|1,0,0]=3 2888 B12R1.7 CC/C=C\COC1CNC(=O)C1 34a_100000690082_100103147603 [0,1,0,1,0,0|2,0,0]=4 2889 B12R1.7 CC/C=C\COC1COC(=O)O1 34a_100016268518_100000032252 [0,1,0,1,0,0|1,0,0]=3 2890 B12R1.7 CC/C=C\CSC1COC(=O)O1 62a_100103147603_100000032252 [0,1,0,1,0,0|1,0,0]=3 2891 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|0,0,2]=4 2892 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|0,0,2]=4 2893 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|0,0,2]=4 2894 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|0,0,2]=4 2895 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,1,0,1,0,0|1,0,1]=4 2896 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,1,0,1,0,0|1,0,1]=4 2897 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,1,0,1,0,0|1,0,1]=4 2898 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,1,0,1,0,0|1,0,1]=4 2899 B12R1.27 CCC(=O)CSC1C=CCCC1 62a_100000747405_100000751183 [0,1,0,1,0,0|2,0,0]=4 2900 B12R1.27 CCC(=O)CSC1C=CCCC1 62a_100000751183_100000747405 [0,1,0,1,0,0|2,0,0]=4 2901 B12R1.27 CCC(C)COC1CC=CCC1 34a_100000073881_100000748023 [0,1,0,1,0,0|1,0,1]=4 2902 B12R1.27 CCC(C)OCC1CC=CCC1 34a_100000210713_100011215416 [0,1,0,1,0,0|1,0,1]=4 2903 B12R1.27 CCC(C)OCC1CCC=CO1 34a_100011217868_100011215416 [0,1,0,1,0,0|1,0,1]=4 2904 B12R1.27 CCC(O)COC1CC=CCC1 34a_100000073881_100011218378 [0,1,0,1,0,0|0,0,2]=4 2905 B12R1.27 CC[C@H](C)COC1CC=CCC1 34a_100000073881_100009816398 [0,1,0,1,0,0|1,0,1]=4 2906 B12R1.27 CNC(=O)CCN1CC=CCC1 2230a_100000698166_100000737683 [0,1,0,1,0,0|2,0,0]=4 2907 B12R1.27 CNC(=O)CCN1CC=CCC1 269982a_100000698166_100000737683 [0,1,0,1,0,0|2,0,0]=4 2908 B12R1.27 CNC(=O)CCN1CC=CCC1 34a_100000698166_100012179268 [0,1,0,1,0,0|2,0,0]=4 2909 B12R1.27 CNC(=O)COC1CC=CCC1 34a_100000073881_100000183359 [0,1,0,1,0,0|1,0,0]=3 2910 B12R1.27 COC(=O)CCN1CC=CCC1 2230a_100000698166_100000204255 [0,1,0,1,0,0|2,0,0]=4 2911 B12R1.27 COC(=O)CCN1CC=CCC1 269982a_100000698166_100000204255 [0,1,0,1,0,0|2,0,0]=4 2912 B12R1.27 COC(=O)CCN1CC=CCC1 34a_100000698166_100000742370 [0,1,0,1,0,0|2,0,0]=4 2913 B12R1.27 COC(=O)COC1CC=CCC1 34a_100000073881_100000747449 [0,1,0,1,0,0|1,0,0]=3 2914 B12R1.82 CCC(=O)CN1CC=CC1CC 269982a_100000730860_100000747405 [0,1,0,1,0,0|2,0,0]=4 2915 B12R1.271 CC/C=C\CCOCC1CC1C 34a_100000744939_100015370543 [0,1,0,1,0,0|1,0,1]=4 2916 B12R1.271 CC/C=C\CCOCC1CC1C 7a_100000744939_100015370543 [0,1,0,1,0,0|1,0,1]=4 2917 B12R1.272 CC/C=C/CCCOC1CCC1 34a_100016287902_100000749161 [0,1,0,1,0,0|1,0,1]=4 2918 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100000760304_100015370543 [0,1,0,1,0,0|1,0,1]=4 2919 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100016288707_100000763275 [0,1,0,1,0,0|1,0,1]=4 2920 B12R1.272 CC/C=C\CCOCC1CCC1 7a_100016288707_100000763275 [0,1,0,1,0,0|1,0,1]=4 2921 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100000039022_100015370543 [0,1,0,1,0,0|0,0,2]=4 2922 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100016288707_100000103362 [0,1,0,1,0,0|0,0,2]=4 2923 B12R1.272 CC/C=C\CCOCC1CCO1 7a_100016288707_100000103362 [0,1,0,1,0,0|0,0,2]=4 2924 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,1,0,0|2,0,0]=4 2925 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|0,0,2]=4 2926 B12R1.356 CCC(=O)OCCOC1COC1 7a_200000031056_100009818527 [0,1,0,1,0,0|1,0,1]=4 2927 B12R1.360 CCC(=O)OCCOCC1CC1 7a_200000031056_100000742324 [0,1,0,1,0,0|0,0,2]=4 2928 B12R1.360 CCC(=O)OCCOCC1CO1 7a_200000031056_102125554688 [0,1,0,1,0,0|1,0,1]=4 2929 B12R1.360 CCC(=O)OCCOCC1CS1 7a_200000031056_100000031435 [0,1,0,1,0,0|1,0,1]=4 2930 B12R1.360 CCC(=O)OCCOC[C@@H]1CO1 7a_200000031056_100000745022 [0,1,0,1,0,0|1,0,1]=4 2931 B12R1.383 C/C=C/C=C/COC1CCC1=O 34a_100016283227_100009892977 [0,1,0,1,0,0|0,0,2]=4 2932 B12R1.383 CC/C=C\CCOC1CCC1=O 34a_100016288707_100009892977 [0,1,0,1,0,0|0,0,0]=2 2933 B12R1.383 CC/C=C\CCOC1CCC1=O 7a_100016288707_100009892977 [0,1,0,1,0,0|0,0,0]=2 2934 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100009892977_100015370543 [0,1,0,1,0,0|0,1,0]=3 2935 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100015370543_100009892977 [0,1,0,1,0,0|0,1,0]=3 2936 B12R1.383 CC=C=CCCOC1CCC1=O 34a_100011020354_100009892977 [0,1,0,1,0,0|0,0,2]=4 2937 B12R1.383 CC=CCCCOC1CCC1=O 34a_100020645299_100009892977 [0,1,0,1,0,0|0,0,2]=4 2938 B12R1.383 CCC#CCCOC1CCC1=O 34a_100000036655_100009892977 [0,1,0,1,0,0|0,0,2]=4 2939 B12R1.383 CCC#CCCOC1CCC1=O 7a_100000036655_100009892977 [0,1,0,1,0,0|0,0,2]=4 2940 B12R1.383 CCC/C=C/COC1CCC1=O 34a_100016278788_100009892977 [0,1,0,1,0,0|0,0,2]=4 2941 B12R1.383 CCC/C=C/COC1CCC1=O 7a_100016278788_100009892977 [0,1,0,1,0,0|0,0,2]=4 2942 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|0,0,2]=4 2943 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|0,0,2]=4 2944 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,1,0,1,0,0|1,0,1]=4 2945 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,1,0,1,0,0|1,0,1]=4 2946 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,1,0,1,0,0|1,0,1]=4 2947 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,1,0,1,0,0|1,0,1]=4 2948 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,1,0,1,0,0|1,0,1]=4 2949 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,1,0,1,0,0|1,0,1]=4 2950 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,1,0,1,0,0|1,0,1]=4 2951 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,1,0,1,0,0|1,0,1]=4 2952 B12R1.455 CC/C=C/Cc1nc(no1)CC 270196a_200000212204_100016274230 [0,1,0,1,0,0|1,0,1]=4 2953 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|0,0,2]=4 2954 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|0,0,2]=4 2955 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,1,0,1,0,0|1,0,1]=4 2956 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,1,0,1,0,0|1,0,1]=4 2957 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [0,1,0,1,0,0|1,0,1]=4 2958 B12R1.821 CC/C=C\CCOCC1(CC1)C 7a_100000698024_100015370543 [0,1,0,1,0,0|1,0,1]=4 2959 B12R1.821 CC/C=C\CCOCC1(CC1)F 34a_200000703853_100015370543 [0,1,0,1,0,0|1,0,1]=4 2960 B12R1.821 CC/C=C\CCOCC1(CC1)F 7a_200000703853_100015370543 [0,1,0,1,0,0|1,0,1]=4 2961 B12R1.1412 CC/C=C\CN1CC1C(=O)OC 2230a_200009830135_100103147603 [0,1,0,1,0,0|2,0,0]=4 2962 B12R1.1659 CCC(=O)C1CC/C=C\CCC1 1458a_100000210414_100021000466 [0,1,0,1,0,0|1,0,0]=3 2963 B12R1.1659 O=C(CO)C1CC/C=C\CCC1 1458a_100000210174_100021000466 [0,1,0,1,0,0|2,0,0]=4 2964 B12R1.43 CC(C)C(=O)CN1CC=CCC1 2230a_100000698166_100000753385 [0,1,0,1,0,0|2,0,0]=4 2965 B12R1.43 CC(C)C(=O)CN1CC=CCC1 269982a_100000698166_100000753385 [0,1,0,1,0,0|2,0,0]=4 2966 B12R1.43 CC(C)C(=O)CN1CC=CCC1 34a_100000698166_100000753385 [0,1,0,1,0,0|2,0,0]=4 2967 B12R1.2197 CC(C)C(=O)C1CCC=CCC1 1458a_100000048548_100000210206 [0,1,0,1,0,0|1,0,0]=3 2968 B12R1.2197 CN(C)C(=O)C1CCC=CCC1 11a_100102631434_100000048548 [0,1,0,1,0,0|2,0,0]=4 2969 B12R1.2197 CN(C)C(=O)C1CCC=CCC1 1626a_100102631434_100000048548 [0,1,0,1,0,0|2,0,0]=4 2970 B12R1.2197 CN(C)C(=O)C1CCC=CCC1 240690a_100102631434_100000048548 [0,1,0,1,0,0|2,0,0]=4 2971 B12R1.2197 CN(C)C(=O)C1CCC=CCC1 527a_100102631434_100000048548 [0,1,0,1,0,0|2,0,0]=4 2972 B12R1.3670 CC/C=C\CCOC1(CC1)C#N 34a_100016288707_100009889376 [0,1,0,1,0,0|1,0,1]=4 2973 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 2974 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 2975 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 2976 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210414 [0,1,0,1,0,0|2,0,0]=4 2977 B12R1.26 CCC(C)OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100011215416 [0,1,0,1,0,0|1,0,1]=4 2978 B12R1.24 CCC(=O)N1CCNC(=O)C1C 11a_100000750721_100000210414 [0,1,0,1,0,0|2,0,0]=4 2979 B12R1.24 CCC(=O)N1CCNC(=O)C1C 1626a_100000750721_100000210414 [0,1,0,1,0,0|2,0,0]=4 2980 B12R1.24 CCC(=O)N1CCNC(=O)C1C 240690a_100000750721_100000210414 [0,1,0,1,0,0|2,0,0]=4 2981 B12R1.24 CCC(=O)N1CCNC(=O)C1C 527a_100000750721_100000210414 [0,1,0,1,0,0|2,0,0]=4 2982 B12R1.49 CCC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000747405 [0,1,0,1,0,0|2,0,0]=4 2983 B12R1.49 CCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 2984 B12R1.49 CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 2985 B12R1.49 CCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 2986 B12R1.49 CCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210414 [0,1,0,1,0,0|2,0,0]=4 2987 B12R1.1658 CCC(=O)N1CCNC(=O)CC1 11a_100000698595_100000210414 [0,1,0,1,0,0|2,0,0]=4 2988 B12R1.1658 CCC(=O)N1CCNC(=O)CC1 1626a_100000698595_100000210414 [0,1,0,1,0,0|2,0,0]=4 2989 B12R1.1658 CCC(=O)N1CCNC(=O)CC1 240690a_100000698595_100000210414 [0,1,0,1,0,0|2,0,0]=4 2990 B12R1.1658 CCC(=O)N1CCNC(=O)CC1 527a_100000698595_100000210414 [0,1,0,1,0,0|2,0,0]=4 2991 B12R1.50 CCC(=O)CN1CCC=C(C1)C 269982a_100000725631_100000747405 [0,1,0,1,0,0|2,0,0]=4 2992 B12R1.50 CCC(=O)NC1CCNC(=O)C1 11a_100016994916_100000210414 [0,1,0,1,0,0|2,0,0]=4 2993 B12R1.50 CCC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000210414 [0,1,0,1,0,0|2,0,0]=4 2994 B12R1.50 CCC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000210414 [0,1,0,1,0,0|2,0,0]=4 2995 B12R1.50 CCC(=O)NC1CCNC(=O)C1 527a_100016994916_100000210414 [0,1,0,1,0,0|2,0,0]=4 2996 B12R1.34 CCC(=O)C(C)N1CC=CCC1 2230a_100000698166_100000742827 [0,1,0,1,0,0|2,0,0]=4 2997 B12R1.34 CCC(=O)C(C)N1CC=CCC1 269982a_100000698166_100000742827 [0,1,0,1,0,0|2,0,0]=4 2998 B12R1.485 CC/C=C/CC(=O)C1CCC1=O 1458a_100016274230_100009892977 [0,1,0,1,0,0|1,0,1]=4 2999 B12R1.16 CCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210303 [0,1,0,1,0,0|1,0,1]=4 3000 B12R1.16 CCNC(=O)C1CCC(=O)NC1 11a_100015525214_100000740907 [0,1,0,1,0,0|2,0,0]=4 3001 B12R1.16 CCNC(=O)C1CCC(=O)NC1 240690a_100015525214_100000740907 [0,1,0,1,0,0|2,0,0]=4 3002 B12R1.16 CCNC(=O)C1CCC(=O)NC1 527a_100015525214_100000740907 [0,1,0,1,0,0|2,0,0]=4 3003 B12R1.31 CC=CC(=O)CC1CNC(=O)O1 1458a_100000210699_100000181169 [0,1,0,1,0,0|1,0,1]=4 3004 B12R1.31 CC=CC(=O)CC1COC(=O)O1 1458a_100000210699_100000073702 [0,1,0,1,0,0|1,0,1]=4 3005 B12R1.31 CC=CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210699_100015189358 [0,1,0,1,0,0|1,0,1]=4 3006 B12R1.31 CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210303 [0,1,0,1,0,0|1,0,1]=4 3007 B12R1.31 CCCC(=O)CC1CNC(=O)O1 1458a_100000211992_100000181169 [0,1,0,1,0,0|1,0,1]=4 3008 B12R1.31 CCCC(=O)CC1COC(=O)O1 1458a_100000211992_100000073702 [0,1,0,1,0,0|1,0,1]=4 3009 B12R1.31 CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211992_100015189358 [0,1,0,1,0,0|1,0,1]=4 3010 B12R1.31 CCNC(=O)CC1CCC(=O)N1 240690a_100015525214_100000026770 [0,1,0,1,0,0|2,0,0]=4 3011 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC 1458a_100009818562_100000210202 [0,1,0,1,0,0|2,0,0]=4 3012 B12R1.1689 CNC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011997002 [0,1,0,1,0,0|1,0,1]=4 3013 B12R2.1596 CCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000210202 [0,0,0,2,0,0|1,0,0]=3 3014 B12R2.1596 CCC(=O)N1CC2C=CC1C2 11a_100000732668_100000210414 [0,0,0,2,0,0|1,0,0]=3 3015 B12R2.1596 CCC(=O)N1CC2C=CC1C2 240690a_100000732668_100000210414 [0,0,0,2,0,0|1,0,0]=3 3016 B12R2.1596 CCC(=O)N1CC2C=CC1C2 527a_100000732668_100000210414 [0,0,0,2,0,0|1,0,0]=3 3017 B12R2.1596 CNC(=O)C1CC2C=CC1C2 11a_106832991635_100000211946 [0,0,0,2,0,0|2,0,0]=4 3018 B12R2.1596 CNC(=O)C1CC2C=CC1C2 1626a_100102657272_100000211946 [0,0,0,2,0,0|2,0,0]=4 3019 B12R2.1596 CNC(=O)C1CC2C=CC1C2 240690a_100102657272_100000211946 [0,0,0,2,0,0|2,0,0]=4 3020 B12R2.1596 CNC(=O)C1CC2C=CC1C2 527a_100102657272_100000211946 [0,0,0,2,0,0|2,0,0]=4 3021 B12R2.1596 CNC(=O)N1CC2C=CC1C2 2708a_100102657272_100000732668 [0,0,0,2,0,0|2,0,0]=4 3022 B12R2.1596 CNC(=O)N1CC2C=CC1C2 273464a_100102657272_100000732668 [0,0,0,2,0,0|2,0,0]=4 3023 B12R2.1596 O=C(CF)C1CC2C=CC1C2 1458a_100000211946_100015361967 [0,0,0,2,0,0|2,0,0]=4 3024 B12R2.1596 O=C(CO)N1CC2C=CC1C2 240690a_100000732668_100000210174 [0,0,0,2,0,0|2,0,0]=4 3025 B12R2.1596 O=C(CO)N1CC2C=CC1C2 527a_100000732668_100000210174 [0,0,0,2,0,0|2,0,0]=4 3026 B12R2.23 O=C1CCC1N2CC=CCC2 269982a_100000698166_100009892977 [0,0,0,2,0,0|2,0,0]=4 3027 B12R2.23 O=C1CCC1N2CC=CCC2 34a_100000698166_100009892977 [0,0,0,2,0,0|2,0,0]=4 3028 B12R2.2058 C1=CCC(CC1)OC2CCC2 34a_100000073881_100000749161 [0,0,0,2,0,0|1,0,1]=4