0 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 COCCOCCOCC(=O)O MC10459 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.4 CCCCCCCCB(O)O MC31112 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.4 CCCCCCCCC(C)C CS21688 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.4 NCCOCCOCC(=O)O CS12154 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.4 NCCOCCOCC(=O)O MC428319 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O MC436282 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.71 BrCCCCCCCCCBr CS20559 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.71 C=CCCCCCCCCBr CS20576 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.71 ClCCCCCCCCCCl CS20560 [1,0,0,0,0,0|2,0,1]=4 11 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MC445022 [0,1,0,0,0,0|1,0,1]=3 12 B12R0.184 COC(=O)CCCCCCC(=O)O CS11965 [0,1,0,0,0,0|1,0,1]=3 13 B12R0.234 C=CCCCCCCCCC(=O)O MC41958 [0,1,0,0,0,0|0,0,1]=2 14 B12R0.234 O=C(O)\C=C\CCCCCCCO CS13683 [0,1,0,0,0,0|0,0,2]=3 15 B12R0.251 CCCCCCCCC(N)C(=O)O MC428037 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.75 COC1CCCNC1CC(C)=O MC445565 [0,0,0,1,0,0|3,0,0]=4 17 B12R1.255 O=C(O)CCCCC1CCSS1 CS11282 [0,0,0,1,0,0|2,0,0]=3 18 B9R0.2 CCCCCCCC(=O)Cl MC40496 [2,0,0,0,0,0|1,0,0]=3 19 B9R0.2 CCCCCCOC(=O)Cl CS11449 [2,0,0,0,0,0|2,0,0]=4 20 B9R0.2 CCCSCCCC(=O)O MC112372 [2,0,0,0,0,0|1,0,0]=3 21 B9R0.2 NCCCCCCC(=O)O CS10138 [2,0,0,0,0,0|1,0,0]=3 22 B9R0.2 O=C(O)CCCCCCO CS10820 [2,0,0,0,0,0|1,0,0]=3 23 B9R0.45 C#CCCCCCCCO MC424005 [2,0,0,0,0,0|0,0,2]=4 24 B9R0.45 CCCCCCCCNC CS15827 [2,0,0,0,0,0|1,0,1]=4 25 B9R0.45 ClCCCCCCCCCl CS20556 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.45 OCCCCCCCCBr CS14609 [2,0,0,0,0,0|1,0,0]=3 27 B9R0.45 OCCCCCCCCO CS20567 [2,0,0,0,0,0|1,0,0]=3 28 B11R0.2 CCCCCCC(C)CC(=O)O MC112332 [1,1,0,0,0,0|0,0,0]=2 29 B11R0.30 O=C(O)CCCCCCC(=O)O CS11964 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.159 CCCCCCCCS(=O)(=O)Cl MC32081 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.159 CCCCCCCCS(=O)(=O)F MC32082 [1,1,0,0,0,0|1,0,1]=4 32 B11R0.159 CCCCCCCCS(=O)(=O)O MC32083 [1,1,0,0,0,0|1,0,0]=3 33 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC32084 [1,1,0,0,0,0|1,0,1]=4 34 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC445028 [1,1,0,0,0,0|1,0,1]=4 35 B11R0.159 CCCCCCCCS(N)(=O)=O MC32085 [1,1,0,0,0,0|1,0,1]=4 36 B11R0.3 CCCCCCCCNCCN MC106937 [1,1,0,0,0,0|1,0,1]=4 37 B11R0.3 CCCCCCCCOCCO MC437001 [1,1,0,0,0,0|0,0,1]=3 38 B11R0.3 CCCCCOCCOCCO MC436946 [1,1,0,0,0,0|1,0,1]=4 39 B11R0.3 O=CCCCCCCCCCBr MC114611 [1,1,0,0,0,0|0,0,0]=2 40 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MC445023 [0,2,0,0,0,0|1,0,1]=4 41 B13R0.54 O=C(O)CCCCCCCCCCBr MC41865 [0,2,0,0,0,0|0,0,0]=2 42 B13R0.147 CCCCCCC\C=C\CC(=O)CC MC114620 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.91 O=C(O)C#CC1CCCCC1 CS16585 [1,0,0,1,0,0|0,0,2]=4 44 B13R1.348 O=C(O)CC(=O)OC1CCCCC1 MC110598 [0,1,0,1,0,0|1,0,1]=4 45 B13R1.547 COC(=O)C1CCCCC1C(=O)O CS17902 [0,1,0,1,0,0|1,0,1]=4 46 B13R2.13 O=C1CCCN(C2CCCC2)C1 CS17027 [0,0,0,2,0,0|2,0,0]=4 47 B13R2.11128 O=C1CCCC2(CCNCC2)N1 MC104491 [0,0,0,2,0,0|2,0,0]=4 48 B13R2.435 O=C(O)C1CC2CCCCC2N1 CS21273 [0,0,0,2,0,0|1,0,0]=3 49 B13R2.435 O=C(O)C1CC2CCCCC2N1 CS21274 [0,0,0,2,0,0|1,0,0]=3 50 B13R2.435 O=C(O)C1CC2CCCCC2N1 MC439601 [0,0,0,2,0,0|1,0,0]=3 51 B13R2.435 O=C(O)C1CC2CCCCC2N1 MC439602 [0,0,0,2,0,0|1,0,0]=3 52 B13R2.14125 O=C(O)CC12CCCN1CCC2 CS13569 [0,0,0,2,0,0|1,0,0]=3