0 B11R0.4 CCCCCCCC(OCC)=O TN6743 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.1 CCCCCCC(Cl)CCC T29433 [1,0,0,0,0,0|2,0,1]=4 2 B10R0.1 CCCCCC[C@H](C)CCC T31329 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.1 CCCCCC[C@H](O)CCC T21104 [1,0,0,0,0,0|1,0,2]=4 4 B10R0.71 C(CCCCC)CCCCCl T21123 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.71 C(CCCCC)CCCCO T21101 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.71 C(CCCCC)CCCCO T30679 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.71 CCCCCCCCCCBr T31355 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.71 CCCCCCCCCCC TN2458 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.71 CCCCCCCCCCCl T30897 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.71 CCCCCCCCCCF T21116 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.71 CCCCCCCCCCI T21125 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.71 CCCCCCCCCCO T31347 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.71 CCCCCSCCCCC T20315 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.74 CCCCCCCC(=O)OC TN6890 [1,0,0,0,0,0|0,0,0]=1 15 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [1,0,0,0,0,0|1,0,1]=3 16 B12R0.1 CCCCCCCCC(=O)OCC T19315 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.277 CCOC(=O)CCCCCC(O)=O T18363 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,0,0,1,0,0|2,0,0]=3 19 B12R1.32 CCOC(=O)CC1CCCCC1 T20380 [0,0,0,1,0,0|0,0,0]=1 20 B12R1.37 CCCCCCCc1ccco1 T26381 [0,0,0,1,0,0|1,0,2]=4 21 B9R0.45 CCCCCCCCCO TN6912 [2,0,0,0,0,0|1,0,1]=4 22 B9R0.46 COC(=O)CCOCCO T15511 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.2 CC(=O)NCCCCCN T5222 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.2 CCCCC/C=C/C(O)=O T5261 [2,0,0,0,0,0|0,0,2]=4 25 B9R0.2 CCCCCCCC(C)=O T29360 [2,0,0,0,0,0|0,0,0]=2 26 B9R0.2 CCCCCCCC(C)O TN6692 [2,0,0,0,0,0|0,0,2]=4 27 B9R0.2 CCCCCCCC(O)=O T3946 [2,0,0,0,0,0|0,0,0]=2 28 B9R0.2 CCCCCNCC(N)=O T24465 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.2 CCCCCNCC(N)=O T50055 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.2 CNCCOCCC(O)=O T16047 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.2 COCCOCCC(O)=O T15841 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.2 NOCCCCCC(O)=O T18489 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.2 OC(=O)CCCCCC#C T17345 [2,0,0,0,0,0|0,0,2]=4 34 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [1,1,0,0,0,0|1,0,1]=4 35 B11R0.62 CCOC(=O)CCC(=O)OCC T8096 [1,1,0,0,0,0|1,0,1]=4 36 B11R0.81 CCCCCOC(=O)CCCC T20310 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.3 CCCCCCCCCCCC TN6897 [1,1,0,0,0,0|1,0,1]=4 38 B11R0.3 CCCCCCCCCCCO T7480 [1,1,0,0,0,0|1,0,1]=4 39 B11R0.3 CCCCCCCCCCOC T31321 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.148 CCCCCCCCCC(C)O T22221 [1,1,0,0,0,0|1,0,1]=4 41 B11R0.148 CCCCCCCCOC(C)=O T5667 [1,1,0,0,0,0|0,0,2]=4 42 B11R0.42 CCCCCCCC(C)C(C)C T31332 [1,1,0,0,0,0|1,0,1]=4 43 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [0,2,0,0,0,0|0,0,0]=2 44 B13R0.367 CCOC(=O)CCCCC(=O)OCC T20272 [0,2,0,0,0,0|0,0,1]=3 45 B13R0.286 CC(C)(C)OC(=O)NCCCCCN T18617 [0,2,0,0,0,0|2,0,0]=4 46 B13R0.286 CNCCOCCC(=O)OC(C)(C)C T16048 [0,2,0,0,0,0|2,0,0]=4 47 B13R0.18 CCOC(=O)CC[C@H](N)C(=O)OCC T2A2497L [0,2,0,0,0,0|1,0,1]=4 48 B13R0.338 CCCCCCOC(=O)CCCCC T5599 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [1,0,0,1,0,0|1,0,0]=3 51 B11R1.40 CCC(=O)OC1CCCCC1 T29781 [1,0,0,1,0,0|1,0,0]=3