0 B22R1.706962 CC=1CCCC(C)(C)C1\C=C\C(\C)=C/C=C/C(/C)=C\C(O)=O Amb21520392 [0,0,0,0,0,0|0,0,0]=0 1 B22R1.706962 CC=1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C(N)=O Amb19133812 [0,0,0,0,0,0|1,0,0]=1 2 B22R1.706962 C\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)C=CCC1(C)C Amb17612684 [0,0,0,0,0,0|0,0,2]=2 3 B22R1.706962 C\C(=C/C=C\C(=C/C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C Amb17619889 [0,0,0,0,0,0|0,0,0]=0 4 B22R1.706962 C\C(=C/C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C Amb17619886 [0,0,0,0,0,0|0,0,0]=0 5 B21R1.7257402 CC1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C=O Amb20671978 [1,0,0,0,0,0|0,0,2]=3 6 B21R1.7257402 CC=1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C#N Amb22056137 [1,0,0,0,0,0|1,0,1]=3 7 B21R1.7257402 CC=1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=[13CH]\[13C]#N Amb22056138 [1,0,0,0,0,0|1,0,1]=3 8 B21R1.7257402 C\C(=C/C=O)\C=C\C=C(/C)\CCC1=C(C)CCCC1(C)C Amb24123167 [1,0,0,0,0,0|0,0,2]=3 9 B21R1.7257402 C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=[13CH]\[13CH]=O Amb22056136 [1,0,0,0,0,0|0,0,0]=1 10 B21R1.7257402 C\C(\C=C\C=C(/C)\CCO)=C/C=C/1\C(C)=CCCC1(C)C Amb22056143 [1,0,0,0,0,0|0,0,3]=4 11 B21R1.7257402 N#C\C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C Amb17619904 [1,0,0,0,0,0|1,0,1]=3 12 B21R1.7257402 N#[13C]\[13CH]=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C Amb17619905 [1,0,0,0,0,0|1,0,1]=3 13 B21R1.7257402 O=C\C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C Amb17619882 [1,0,0,0,0,0|0,0,0]=1 14 B21R1.7257402 O=C\C=C(\C=C\C=C(/C=C/C1=C(C)CCCC1(C)C)\C)/C Amb17619878 [1,0,0,0,0,0|0,0,0]=1 15 B21R1.7257402 O=C\C=C(\C=C\C=C(\C=C\C1=C(C)C=CCC1(C)C)/C)/C Amb17611718 [1,0,0,0,0,0|0,0,2]=3 16 B21R1.7257402 O=[13CH][13CH]=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)C Amb17619879 [1,0,0,0,0,0|0,0,0]=1 17 B21R1.7257402 O=[13CH]\[13CH]=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C Amb17619884 [1,0,0,0,0,0|0,0,0]=1 18 B21R1.7257402 OCCC(\C=C/C=C(\C=C\C1=C(C)CCCC1(C)C)/C)C Amb17613005 [1,0,0,0,0,0|0,0,3]=4 19 B21R1.7257402 OCCC(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)C Amb17613004 [1,0,0,0,0,0|0,0,3]=4 20 B21R1.7257402 OC\C=C(\C#C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C Amb17612685 [1,0,0,0,0,0|0,0,3]=4 21 B21R1.7257402 OC\C=C(\C=C\C=C(\C=C\C1=C(C)C=CCC1(C)C)/C)/C Amb17611719 [1,0,0,0,0,0|0,0,3]=4 22 B23R1.2141156 C\C(\C=C\C1=C(CCCC1(C)C)CO)=C/C=C/C(/C)=C/C(O)=O Amb22055501 [0,1,0,0,0,0|0,0,0]=1 23 B23R1.8152110 C\C(=C/C(O)=O)\C=C\C=C(/C)\C=C\C1=C(C)C(O)CCC1(C)C Amb22054905 [0,1,0,0,0,0|0,0,0]=1 24 B23R1.8152110 C\C(=C/C=C/C(=C/C(=O)N)/C)\C=C\C1=C(C)C(=O)CCC1(C)C Amb17616378 [0,1,0,0,0,0|1,0,1]=3 25 B23R1.8152110 C\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)C(=O)CCC1(C)C Amb17616384 [0,1,0,0,0,0|0,0,1]=2 26 B23R1.8152110 C\C(=C/C=C/C(=C\C(=O)O)/C)\C=C\C1=C(C)C(=O)CCC1(C)C Amb17616381 [0,1,0,0,0,0|0,0,1]=2 27 B23R1.8152110 C\C(=C\C(O)=O)\C=C\C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C Amb22055064 [0,1,0,0,0,0|0,0,1]=2 28 B23R1.8152110 C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)C(=O)CCC1(C)C Amb17616379 [0,1,0,0,0,0|0,0,1]=2 29 B23R1.8152110 C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)C(O)CCC1(C)C Amb17615834 [0,1,0,0,0,0|0,0,0]=1 30 B23R1.15904525 COC(=O)\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C Amb17619895 [0,1,0,0,0,0|0,0,0]=1 31 B23R2.235079656 CC=1CCCC(C)(C)C1\C=C\C(\C)=C\C2=CC(C)=CC(=O)O2 Amb19132795 [0,0,0,1,0,0|0,0,0]=1 32 B20R1.1689275 C\C(\C=C\C=C(/C)\C=C)=C/C=C/1\C(C)=CCCC1(C)C Amb22054337 [2,0,0,0,0,0|0,0,1]=3 33 B22R1.11012933 CC=1CC(O)CC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C#N Amb22055500 [1,1,0,0,0,0|1,0,1]=4 34 B22R1.11012933 O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CC(CC1(C)C)O)/C)/C Amb17615827 [1,1,0,0,0,0|0,0,0]=2 35 B22R1.11012940 O=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C Amb17616377 [1,1,0,0,0,0|0,0,1]=3 36 B22R1.11012940 O=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(O)CCC1(C)C)/C)/C Amb17615830 [1,1,0,0,0,0|0,0,0]=2 37 B22R1.11012940 OC\C=C(\C=C\C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C)/C Amb17616388 [1,1,0,0,0,0|0,0,2]=4 38 B22R1.11012940 OC\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C Amb17616387 [1,1,0,0,0,0|0,0,2]=4 39 B24R1.8295573 COC1CCC(C(=C1C)\C=C\C(=C/C=C/C(=CC(=O)O)C)\C)(C)C Amb17617090 [0,2,0,0,0,0|0,0,0]=2 40 B24R1.23706433 COC(=O)\C=C(/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C)\C Amb17616383 [0,2,0,0,0,0|0,0,1]=3 41 B24R1.23706433 COC(=O)\C=C(\C=C\C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C)/C Amb17616380 [0,2,0,0,0,0|0,0,1]=3 42 B24R1.23706433 COC(=O)\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C Amb17616386 [0,2,0,0,0,0|0,0,1]=3 43 B24R1.42820735 CCOC(=O)CC(C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C Amb22055157 [0,2,0,0,0,0|0,0,2]=4 44 B24R1.42820735 CCOC(=O)\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C Amb22546885 [0,2,0,0,0,0|0,0,0]=2 45 B24R1.42820735 CCOC(=O)\C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C Amb17619893 [0,2,0,0,0,0|0,0,0]=2 46 B24R2.841005789 CC1(C)CCCC2(C)OC12\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O Amb22055179 [0,0,0,1,0,1|0,0,2]=4 47 B24R2.841005789 C\C(=C/C=C/C(=C\C(=O)O)/C)\C=C\C12OC1(C)CCCC2(C)C Amb17613726 [0,0,0,1,0,1|0,0,2]=4 48 B24R2.841007779 CC1(C)CCCC2(C)OC(C=C12)\C(\C)=C\C=C\C(\C)=C\C(O)=O Amb22055180 [0,1,0,1,0,0|0,0,2]=4 49 B24R2.841007779 OC(=O)\C=C(/C=C/C=C(/C1C=C2C(O1)(C)CCCC2(C)C)\C)\C Amb17613727 [0,1,0,1,0,0|0,0,2]=4 50 B24R1.17208932 CC(=O)OC\C=C(\C=C\C=C(/C=C/C1=C(C)CCCC1(C)C)\C)/C Amb17619899 [0,0,0,0,0,2|1,0,0]=3