0 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.234 CCCCCCCCCCS(C)=O T29297 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [0,0,0,0,0,0|0,0,4]=4 4 B12R0.234 OCCCCCCC/C=C/C(O)=O T3250 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.3 CCCCCCCCCCC=O TN6898 [1,0,0,0,0,0|0,0,2]=3 7 B11R0.3 CCCCCCCCCCCO T7480 [1,0,0,0,0,0|0,0,3]=4 8 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [1,0,0,0,0,0|0,0,0]=1 10 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [1,0,0,0,0,0|0,0,0]=1 11 B11R0.148 CCCCCCCCCC(C)=O T8017 [1,0,0,0,0,0|1,0,1]=3 12 B11R0.148 CCCCCCCCCC(C)O T22221 [1,0,0,0,0,0|1,0,2]=4 13 B11R0.148 CCCCCCCCCC(F)=O T31304 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.148 CCCCCCCCCC(N)=O T31308 [1,0,0,0,0,0|1,0,1]=3 15 B11R0.148 CCCCCCCCCC(O)=O T30126 [1,0,0,0,0,0|0,0,1]=2 16 B11R0.148 CCCCCCCCCC(O)=O T33472 [1,0,0,0,0,0|0,0,1]=2 17 B11R0.148 CCCCCCCCCC(O)=O T33485 [1,0,0,0,0,0|0,0,1]=2 18 B11R0.148 CCCCCCCCCC(O)=O T3379 [1,0,0,0,0,0|0,0,1]=2 19 B11R0.148 CCCCCCCCCC(O)=O T34161 [1,0,0,0,0,0|0,0,1]=2 20 B11R0.148 CCCCCCCCCC([O-])=O T21240 [1,0,0,0,0,0|0,0,2]=3 21 B11R0.148 CCCCCCCCCC([O-])=O T30689 [1,0,0,0,0,0|0,0,2]=3 22 B11R0.148 CCCCCCCCCC([O-])=O T30994 [1,0,0,0,0,0|0,0,2]=3 23 B11R0.148 CCCCCCCCCC([O-])=O T31345 [1,0,0,0,0,0|0,0,2]=3 24 B11R0.148 CCCCCCCCCC([O-])=O T33164 [1,0,0,0,0,0|0,0,2]=3 25 B11R0.148 CCCCCCCCCC([O-])=O T34116 [1,0,0,0,0,0|0,0,2]=3 26 B11R0.148 CCCCCCCCCC([O-])=O T35308 [1,0,0,0,0,0|0,0,2]=3 27 B11R0.148 CCCCCCCCOC(C)=O T5667 [1,0,0,0,0,0|2,0,0]=3 28 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [1,0,0,0,0,0|0,0,0]=1 29 B13R0.54 CCCCCC/C=C\CCCC(O)=O T8240 [0,1,0,0,0,0|0,0,3]=4 30 B13R0.54 CCCCCCCCCCCC(C)=O T9502 [0,1,0,0,0,0|1,0,2]=4 31 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,1,0,0,0,0|0,0,2]=3 32 B13R0.54 CCCCCCCCCCCC([O-])=O T30004 [0,1,0,0,0,0|0,0,3]=4 33 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [0,1,0,0,0,0|0,0,2]=3 34 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [0,1,0,0,0,0|1,0,2]=4 35 B13R0.147 CCCCCCCCCCC(=O)OC T9505 [0,1,0,0,0,0|0,0,2]=3 36 B13R0.280 CCCCCCCCCCP(O)(O)=O T21191 [0,1,0,0,0,0|1,0,2]=4 37 B13R0.280 CCCCCCCCCCS(O)(=O)=O T31358 [0,1,0,0,0,0|1,0,2]=4 38 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [0,0,0,1,0,0|0,0,2]=3 39 B10R0.71 C(CCCCC)CCCCO T21101 [2,0,0,0,0,0|0,0,2]=4 40 B10R0.71 C(CCCCC)CCCCO T30679 [2,0,0,0,0,0|0,0,2]=4 41 B10R0.71 CCCCC/C=C/C=C/C=O T9506 [2,0,0,0,0,0|0,0,2]=4 42 B10R0.71 CCCCCCCCCC=O T8086 [2,0,0,0,0,0|0,0,1]=3 43 B10R0.71 CCCCCCCCCCO T31347 [2,0,0,0,0,0|0,0,2]=4 44 B10R0.4 CCCCCCCCC(O)=O T3947 [2,0,0,0,0,0|0,0,0]=2 45 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [2,0,0,0,0,0|1,0,1]=4 46 B10R0.4 CCCCCCCOC(C)=O TN6701 [2,0,0,0,0,0|2,0,0]=4 47 B10R0.4 NCCCCCCCC(O)=O T8102 [2,0,0,0,0,0|1,0,0]=3 48 B12R0.5 C/C=C/C=C/CCCCCCCO T20516 [1,1,0,0,0,0|1,0,1]=4 49 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [1,1,0,0,0,0|0,0,0]=2 50 B12R0.248 CCCCCCCCCC(=O)NO T33614 [1,1,0,0,0,0|1,0,1]=4 51 B12R0.4 CCCCCCCC(O)CC(O)=O T7565 [1,1,0,0,0,0|0,0,1]=3 52 B12R0.233 CCCCCC(=O)CCCC(O)=O T29465 [1,1,0,0,0,0|0,0,2]=4 53 B12R0.233 CCCCCC(O)CCCC([O-])=O T29457 [1,1,0,0,0,0|0,0,2]=4 54 B12R0.251 CCCCCCCC[C@@H](C)C(O)=O T31341 [1,1,0,0,0,0|0,0,1]=3 55 B12R0.251 CCCCCCCC[C@H](O)C(O)=O T29352 [1,1,0,0,0,0|0,0,1]=3 56 B12R0.268 CC(=O)CCCCCCCC(O)=O T31343 [1,1,0,0,0,0|0,0,2]=4 57 B14R0.337 CCCCCCCCCCCC(=O)OC TN6895 [0,2,0,0,0,0|0,0,2]=4 58 B14R0.337 COC(=O)CCCCCCCCCCBr T17694 [0,2,0,0,0,0|0,0,2]=4 59 B14R0.391 CCCCCCCCCC(O)CC(O)=O T19120 [0,2,0,0,0,0|0,0,2]=4 60 B14R0.394 CCCCCCCCCCCCC(O)=O T3950 [0,2,0,0,0,0|0,0,2]=4 61 B14R0.394 OCCCCCCCCCCCC(O)=O T4879 [0,2,0,0,0,0|0,0,2]=4 62 B12R1.37 CCCCCCCc1ccco1 T26381 [1,0,0,1,0,0|0,0,1]=3 63 B12R1.7 CCCCCCC1CCC(=O)O1 T8078 [1,0,0,1,0,0|0,0,1]=3 64 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [1,0,0,1,0,0|0,0,1]=3 65 B12R1.252 OC(=O)CCCC1CCCCC1 T20374 [1,0,0,1,0,0|0,0,1]=3