0 B14R0.394 CCCCCCCCCCCCC(O)=O T3950 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.394 COCCOCCOCCOCC(O)=O T15858 [0,0,0,0,0,0|4,0,0]=4 2 B14R0.394 NCCOCCOCCOCCC(O)=O T14232 [0,0,0,0,0,0|4,0,0]=4 3 B14R0.394 OC(=O)CCOCCOCCOCCBr T14797 [0,0,0,0,0,0|4,0,0]=4 4 B14R0.394 OC(=O)CCOCCOCCOCCS T17074 [0,0,0,0,0,0|4,0,0]=4 5 B14R0.394 OCCCCCCCCCCCC(O)=O T4879 [0,0,0,0,0,0|1,0,0]=1 6 B14R0.394 OCCOCCOCCOCCC(O)=O T20849 [0,0,0,0,0,0|4,0,0]=4 7 B13R0.54 CCCCCC/C=C\CCCC(O)=O T8240 [1,0,0,0,0,0|0,0,2]=3 8 B13R0.54 CCCCCCCCCCCC(C)=O T9502 [1,0,0,0,0,0|1,0,0]=2 9 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [1,0,0,0,0,0|0,0,0]=1 10 B13R0.54 CCCCCCCCCCCC([O-])=O T30004 [1,0,0,0,0,0|0,0,1]=2 11 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [1,0,0,0,0,0|1,0,0]=2 12 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [1,0,0,0,0,0|2,0,0]=3 13 B13R0.336 CCCCCCCCCCCCCC TN6959 [1,0,0,0,0,0|1,0,1]=3 14 B13R0.336 NCCCCCCCCCCCCN T20478 [1,0,0,0,0,0|2,0,1]=4 15 B15R0.81 CCCCCCCCCCCCC(=O)OC TN6919 [0,1,0,0,0,0|0,0,0]=1 16 B15R0.81 CCCCCCCCCCCCC(O)CO T20378 [0,1,0,0,0,0|0,0,2]=3 17 B15R0.88 CCCCCCCCOC(=O)CCC(O)=O T19436 [0,1,0,0,0,0|1,0,1]=3 18 B15R0.111 CCOC(=O)CCCCCCCCC(O)=O T31336 [0,1,0,0,0,0|1,0,1]=3 19 B15R0.164 CCC/C=C\CCCCCCCOC(C)=O T20508 [0,1,0,0,0,0|1,0,2]=4 20 B15R0.164 CCCC/C=C\CCCCCCOC(C)=O T20807 [0,1,0,0,0,0|1,0,2]=4 21 B15R0.164 CCCCCCCCCCCCCC(O)=O T3949 [0,1,0,0,0,0|0,0,0]=1 22 B15R0.164 CCCCCCCCCCCCNC(N)=N T25347 [0,1,0,0,0,0|2,0,0]=3 23 B15R0.164 COCCOCCOCCOCCC(O)=O T15857 [0,1,0,0,0,0|3,0,0]=4 24 B15R0.164 OC(=O)CCCCCCCCCCCC#C T14184 [0,1,0,0,0,0|0,0,1]=2 25 B15R0.222 CS(=O)CCCCCCCCCCS(C)=O T31316 [0,1,0,0,0,0|3,0,0]=4 26 B15R0.222 OC(=O)CCCCCCCCCCC(O)=O T22312 [0,1,0,0,0,0|1,0,1]=3 27 B15R0.222 OC(=O)CCCCCCCCCCC(O)=O T5258 [0,1,0,0,0,0|1,0,1]=3 28 B15R0.252 CCCCCCCCCCCC[N+](C)(C)[O-] T20936 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.34 CCCCCCCCCC1OCC(C)O1 T31303 [0,0,0,1,0,0|2,0,1]=4 30 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [2,0,0,0,0,0|0,0,2]=4 31 B12R0.5 CCCCCCCCCCCCO T9514 [2,0,0,0,0,0|0,0,0]=2 32 B12R0.5 CCCCCCCCCCOC=C T31314 [2,0,0,0,0,0|1,0,1]=4 33 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [2,0,0,0,0,0|0,0,2]=4 34 B12R0.234 CCCCCCCCCCC(O)=O T3948 [2,0,0,0,0,0|0,0,0]=2 35 B12R0.234 CCCCCCCCCCS(C)=O T29297 [2,0,0,0,0,0|2,0,0]=4 36 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [2,0,0,0,0,0|0,0,2]=4 37 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [2,0,0,0,0,0|1,0,0]=3 38 B14R0.68 OC(=O)CCCCCCCCCC(O)=O T5565 [1,1,0,0,0,0|1,0,1]=4 39 B14R0.88 CCCCCCCCCCOP(O)([O-])=O T29032 [1,1,0,0,0,0|2,0,0]=4 40 B14R0.88 OP(O)(=O)CCCCCCCCCCBr T13999 [1,1,0,0,0,0|2,0,0]=4 41 B14R0.305 COC(=O)CCCCCCCCC(O)=O T21236 [1,1,0,0,0,0|1,0,1]=4 42 B14R0.337 CCCCCCCCCCCC(=O)OC TN6895 [1,1,0,0,0,0|0,0,0]=2 43 B14R0.337 COC(=O)CCCCCCCCCCBr T17694 [1,1,0,0,0,0|1,0,0]=3 44 B14R0.340 NCCCCNCCCC[C@H](N)C(O)=O T31380 [1,1,0,0,0,0|2,0,0]=4 45 B14R0.391 CCCCCCCCCC(O)CC(O)=O T19120 [1,1,0,0,0,0|0,0,0]=2 46 B14R0.392 CCCCCCCCCCCCCC#N T20275 [1,1,0,0,0,0|1,0,1]=4 47 B14R0.392 CCCCCCCCCCCCCC=C TN6906 [1,1,0,0,0,0|1,0,0]=3 48 B14R0.392 CCCCCCCCCCCCCCC TN6759 [1,1,0,0,0,0|1,0,1]=4 49 B14R0.392 CCCCCCCCCCCCCCO TN6991 [1,1,0,0,0,0|0,0,1]=3 50 B16R0.221 CCCC/C=C\CCCCCCCC(=O)OC TN7013 [0,2,0,0,0,0|0,0,1]=3 51 B16R0.221 CCCCCCCCCCCCCC(=O)OC TN6901 [0,2,0,0,0,0|0,0,0]=2 52 B16R0.274 CCCCCCCC/C=C/CCCOC(C)=O T29444 [0,2,0,0,0,0|1,0,1]=4 53 B16R0.274 CCCCCCCCCCCCCCC(O)=O T8049 [0,2,0,0,0,0|0,0,0]=2 54 B16R0.274 COCCOCCOCCOCCCC(O)=O T15875 [0,2,0,0,0,0|2,0,0]=4 55 B16R0.1188 CCCCCCCCCCCCOS([O-])(=O)=O T20075 [0,2,0,0,0,0|1,0,1]=4 56 B16R0.3288 CC(C)CCCCCCCCCCCC(O)=O T27807 [0,2,0,0,0,0|0,0,0]=2 57 B16R0.3288 OC(=O)CCCCCCCCCCCC(O)=O T5252 [0,2,0,0,0,0|0,0,1]=3 58 B14R1.40 CCCCCCCCCC1OCCO1 T29359 [1,0,0,1,0,0|1,0,1]=4 59 B16R1.642 CCCCCCCC/C=C\[C@H]1CCC(=O)O1 T24194 [0,1,0,1,0,0|0,0,1]=3 60 B16R1.8816 O=C1CCCCCCCCCCCCCC1 T7978 [0,1,0,1,0,0|1,0,0]=3 61 B16R1.19291 OCC1CCCCCCCCCC(=C)C1=O T27274 [0,1,0,1,0,0|2,0,0]=4