0 B10R0.4 CCCCCCCCB(O)O MC31112 [1,0,0,0,0,0|1,0,1]=3 1 B10R0.4 CCCCCCCCC(C)C CS21688 [1,0,0,0,0,0|1,0,1]=3 2 B10R0.4 NCCOCCOCC(=O)O CS12154 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.4 NCCOCCOCC(=O)O MC428319 [1,0,0,0,0,0|3,0,0]=4 4 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O MC436282 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.74 CCCCCCCC(=O)NO CS11097 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.74 COC(=O)CCCCCCN CS14288 [1,0,0,0,0,0|1,0,0]=2 7 B12R0.1 CCCCCCCCS(=O)CCO MC437764 [0,1,0,0,0,0|2,0,0]=3 8 B12R0.1 CCOC(=O)CCCCCCCBr CS14864 [0,1,0,0,0,0|1,0,0]=2 9 B12R0.113 CCCCCCC(C)OC(=O)CCl MC114125 [0,1,0,0,0,0|3,0,0]=4 10 B12R0.184 COC(=O)CCCCCCC(=O)O CS11965 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.477 COC(=O)CCNC1CCCC1 CS13919 [0,0,0,1,0,0|1,0,0]=2 12 B9R0.2 CCCCCCCC(=O)Cl MC40496 [2,0,0,0,0,0|1,0,0]=3 13 B9R0.2 CCCCCCOC(=O)Cl CS11449 [2,0,0,0,0,0|2,0,0]=4 14 B9R0.2 CCCSCCCC(=O)O MC112372 [2,0,0,0,0,0|1,0,0]=3 15 B9R0.2 NCCCCCCC(=O)O CS10138 [2,0,0,0,0,0|1,0,0]=3 16 B9R0.2 O=C(O)CCCCCCO CS10820 [2,0,0,0,0,0|1,0,0]=3 17 B9R0.45 CCCCCCCCNC CS15827 [2,0,0,0,0,0|1,0,0]=3 18 B9R0.45 OCCCCCCCCBr CS14609 [2,0,0,0,0,0|1,0,1]=4 19 B9R0.45 OCCCCCCCCO CS20567 [2,0,0,0,0,0|1,0,1]=4 20 B9R0.46 COC(=O)CCCCCN CS11662 [2,0,0,0,0,0|1,0,0]=3 21 B11R0.2 CCCCCCC(C)CC(=O)O MC112332 [1,1,0,0,0,0|0,0,0]=2 22 B11R0.30 O=C(O)CCCCCCC(=O)O CS11964 [1,1,0,0,0,0|1,0,1]=4 23 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [1,1,0,0,0,0|0,0,1]=3 24 B11R0.148 COCCOCCOCC(=O)O MC10459 [1,1,0,0,0,0|2,0,0]=4 25 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [1,1,0,0,0,0|0,0,0]=2 26 B11R0.159 CCCCCCCCS(=O)(=O)Cl MC32081 [1,1,0,0,0,0|1,0,1]=4 27 B11R0.159 CCCCCCCCS(=O)(=O)F MC32082 [1,1,0,0,0,0|1,0,1]=4 28 B11R0.159 CCCCCCCCS(=O)(=O)O MC32083 [1,1,0,0,0,0|1,0,0]=3 29 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC32084 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC445028 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.159 CCCCCCCCS(N)(=O)=O MC32085 [1,1,0,0,0,0|1,0,1]=4 32 B11R0.3 CCCCCCCCNCCN MC106937 [1,1,0,0,0,0|2,0,0]=4 33 B11R0.3 CCCCCCCCOCCO MC437001 [1,1,0,0,0,0|2,0,0]=4 34 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl CS14865 [0,2,0,0,0,0|1,0,0]=3 35 B13R0.101 COC(=O)C(N)CCCCNC(C)=O MC106400 [0,2,0,0,0,0|1,0,1]=4 36 B13R0.284 CCCCCCC(C)OC(=O)C(C)Cl MC114128 [0,2,0,0,0,0|2,0,0]=4 37 B13R0.147 CCCCCCC\C=C\CC(=O)CC MC114620 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.91 O=C(O)C#CC1CCCCC1 CS16585 [1,0,0,1,0,0|0,0,2]=4 39 B11R1.1 CCCOC1CCC(=O)CC1 CS17706 [1,0,0,1,0,0|2,0,0]=4 40 B11R1.25 COC(=O)CCC1CCNC1 MC115716 [1,0,0,1,0,0|1,0,0]=3 41 B11R1.25 COC(=O)CNC1CCCC1 CS14712 [1,0,0,1,0,0|1,0,0]=3 42 B11R1.40 COC(=O)CC1CCCNC1 MC20602 [1,0,0,1,0,0|1,0,0]=3 43 B11R1.40 COC(=O)CC1COCCN1 MC111097 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.852 COC(=O)C1CCCNCC1 MC104967 [1,0,0,1,0,0|1,0,0]=3 45 B13R1.42 CCOC(=O)CCC1CCNCC1 CS13417 [0,1,0,1,0,0|1,0,0]=3 46 B13R1.463 CCOC(=O)C1CCCCCC1=O MC429046 [0,1,0,1,0,0|1,0,1]=4 47 B13R1.135 COC(=O)C(N)CC1CCCCC1 CS18436 [0,1,0,1,0,0|0,0,0]=2 48 B13R1.135 COC(=O)C(N)CC1CCCCC1 MC439178 [0,1,0,1,0,0|0,0,0]=2 49 B13R1.135 COC(=O)C(N)CN1CCOCC1 MC435574 [0,1,0,1,0,0|2,0,0]=4 50 B13R1.135 COC(=O)C(N)CN1CCOCC1 MC435575 [0,1,0,1,0,0|2,0,0]=4 51 B13R1.11 COC(=O)CC(=O)C1CCCCC1 CS14823 [0,1,0,1,0,0|0,0,1]=3 52 B13R1.547 COC(=O)C1CCCCC1C(=O)O CS17902 [0,1,0,1,0,0|1,0,1]=4 53 B13R2.32 CN1C(=O)COC2CCCCC21 MC425873 [0,0,0,2,0,0|2,0,0]=4 54 B13R2.1100 COC(=O)C1C2CCC1CNC2 MC444522 [0,0,0,2,0,0|1,0,0]=3 55 B13R2.1145 COC(=O)C1CCC2CCC1N2 MC105548 [0,0,0,2,0,0|1,0,0]=3