0 B12R0.234 C#CCCCCCCCCC(=O)O SBB008483 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 C=CCCCCCCCCC(=O)O SBB009049 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.234 CCCCCCCCCCC(=O)Cl SBB060536 [0,0,0,0,0,0|1,0,2]=3 3 B12R0.234 CCCCCCCCCCC(=O)O SBB058709 [0,0,0,0,0,0|0,0,2]=2 4 B12R0.234 CCCCCCCCCCC(C)O SBB060451 [0,0,0,0,0,0|1,0,3]=4 5 B12R0.234 CCCCCCCCCOC(C)=O SBB060586 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.234 CCCCCCCCOCC(C)O SBB061010 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.3 C=CCCCCCCCCCC SBB059886 [1,0,0,0,0,0|1,0,2]=4 8 B11R0.3 CCCCCCCCCCC=O SBB059873 [1,0,0,0,0,0|0,0,2]=3 9 B11R0.3 CCCCCCCCCCCO SBB059909 [1,0,0,0,0,0|0,0,3]=4 10 B11R0.3 CCCCCCCCCOC=O SBB060304 [1,0,0,0,0,0|1,0,1]=3 11 B11R0.3 CCCCCCCCNCCO SBB056741 [1,0,0,0,0,0|1,0,2]=4 12 B11R0.3 CCCCCCCCOCCO SBB059919 [1,0,0,0,0,0|1,0,2]=4 13 B11R0.3 CCCCCCCCSCCO SBB013612 [1,0,0,0,0,0|1,0,2]=4 14 B11R0.3 CCCCCC\C=C\C=C\C=O SBB068342 [1,0,0,0,0,0|0,0,2]=3 15 B11R0.148 CCCCCCCCCC(=O)Cl SBB060015 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.148 CCCCCCCCCC(=O)O SBB060022 [1,0,0,0,0,0|0,0,1]=2 17 B11R0.148 CCCCCCCCCC(C)=O SBB060389 [1,0,0,0,0,0|1,0,1]=3 18 B11R0.148 CCCCCCCCCC(N)=O SBB061052 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.148 CCCCCCCCOC(C)=O SBB060585 [1,0,0,0,0,0|2,0,0]=3 20 B11R0.148 CCCCSCCCCC(=O)O SBB019267 [1,0,0,0,0,0|1,0,1]=3 21 B13R0.54 CCCCCCCCCCCC(=O)Cl SBB060016 [0,1,0,0,0,0|1,0,2]=4 22 B13R0.54 CCCCCCCCCCCC(=O)O SBB060023 [0,1,0,0,0,0|0,0,2]=3 23 B13R0.54 CCCCCCCCCCCC(N)=O SBB061051 [0,1,0,0,0,0|1,0,2]=4 24 B13R0.54 CCCCCCCCCCOC(C)=O SBB058677 [0,1,0,0,0,0|1,0,2]=4 25 B13R0.54 CCCCCCCCSCCC(=O)O SBB000583 [0,1,0,0,0,0|0,0,2]=3 26 B13R0.54 CCCCSCCCCCCC(=O)O SBB001713 [0,1,0,0,0,0|0,0,2]=3 27 B13R0.54 NCCCCCCCCCCC(=O)O SBB058716 [0,1,0,0,0,0|0,0,2]=3 28 B13R0.54 O=C(O)CCCCCCCCCCBr SBB061375 [0,1,0,0,0,0|0,0,2]=3 29 B13R0.147 CCCCCCCCCCC(=O)OC SBB060594 [0,1,0,0,0,0|0,0,2]=3 30 B13R0.280 CCCCCCCCCCP(=O)(O)O SBB057479 [0,1,0,0,0,0|1,0,2]=4 31 B13R0.335 CCCCCCCOC(=O)CC(C)=O SBB060040 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.279 O=C1CCCCCCCCCCC1 SBB060076 [0,0,0,1,0,0|1,0,2]=4 33 B13R1.279 O=C1CCCCCCCCCCO1 SBB061611 [0,0,0,1,0,0|0,0,2]=3 34 B13R1.1988 O=C(O)CCCN1CCCCCC1 SBB077232 [0,0,0,1,0,0|1,0,2]=4 35 B10R0.71 C=CCCCCCCCCBr SBB059351 [2,0,0,0,0,0|1,0,1]=4 36 B10R0.71 C=CCCCCCCCCC SBB009051 [2,0,0,0,0,0|0,0,1]=3 37 B10R0.71 CCCCCCCCCC=O SBB058676 [2,0,0,0,0,0|0,0,1]=3 38 B10R0.71 CCCCCCCCCCO SBB059908 [2,0,0,0,0,0|0,0,2]=4 39 B10R0.71 CCCCCCCCN=C=O SBB068604 [2,0,0,0,0,0|1,0,1]=4 40 B10R0.71 CCCCCCCCNC=O SBB061176 [2,0,0,0,0,0|1,0,0]=3 41 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [2,0,0,0,0,0|0,0,2]=4 42 B10R0.4 CCCCCCCCB(O)O SBB071319 [2,0,0,0,0,0|1,0,1]=4 43 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [2,0,0,0,0,0|1,0,0]=3 44 B10R0.4 CCCCCCCCC(=O)O SBB058693 [2,0,0,0,0,0|0,0,0]=2 45 B10R0.4 CCCCCCCCC(N)=O SBB061053 [2,0,0,0,0,0|1,0,0]=3 46 B10R0.4 CCCCCCCOC(C)=O SBB060307 [2,0,0,0,0,0|2,0,0]=4 47 B10R0.4 OC(=O)CCCCCCCN SBB006735 [2,0,0,0,0,0|1,0,0]=3 48 B12R0.5 CCCCCCCCCCCC=O SBB059874 [1,1,0,0,0,0|0,0,2]=4 49 B12R0.5 CCCCCCCCCCNC=O SBB061177 [1,1,0,0,0,0|0,0,2]=4 50 B12R0.248 CCCCCCCCCC(C)C=O SBB060149 [1,1,0,0,0,0|0,0,2]=4 51 B14R0.305 O=C(O)CCCCCCCCC(O)CO SBB056632 [0,2,0,0,0,0|0,0,2]=4 52 B14R0.337 CCCCCCCCCCCC(=O)OC SBB058684 [0,2,0,0,0,0|0,0,2]=4 53 B14R0.337 COC(=O)CCCCCCCCCCCl SBB072738 [0,2,0,0,0,0|0,0,2]=4 54 B14R0.344 CCCCCCCCS(=O)CCC(=O)O SBB001707 [0,2,0,0,0,0|0,0,2]=4 55 B14R0.391 CCCCCCCCOC(=O)CC(C)=O SBB060041 [0,2,0,0,0,0|1,0,1]=4 56 B14R0.394 CCCCCCCCCCCCC(=O)O SBB069518 [0,2,0,0,0,0|0,0,2]=4 57 B14R0.394 NCCCCCCCCCCCC(=O)O SBB058890 [0,2,0,0,0,0|0,0,2]=4 58 B14R0.394 O=C(O)CCCCCCCCCCCBr SBB061618 [0,2,0,0,0,0|0,0,2]=4 59 B14R0.394 O=C(O)CCCCCCCCCCCO SBB061512 [0,2,0,0,0,0|0,0,2]=4 60 B12R1.550 C1=CCCCCCCCCCC1 SBB059893 [1,0,0,1,0,0|1,0,1]=4 61 B12R1.28 CCCCCC1=CC=CC(=O)O1 SBB008445 [1,0,0,1,0,0|0,0,2]=4 62 B12R1.75 CCC1CCCCN1CC(=O)O SBB111674 [1,0,0,1,0,0|1,0,1]=4 63 B12R1.125 CC1CCCCN1CCC(=O)O SBB010526 [1,0,0,1,0,0|1,0,1]=4 64 B12R1.252 O=C(O)CCCC1CCCCN1 SBB014750 [1,0,0,1,0,0|1,0,1]=4 65 B12R1.252 O=C(O)CCCC1CCNCC1 SBB003471 [1,0,0,1,0,0|1,0,1]=4 66 B12R1.252 O=C(O)CCCC1CCNCC1 SBB014751 [1,0,0,1,0,0|1,0,1]=4 67 B12R1.252 O=C([O-])CCCC1CCCCC1 SBB008626 [1,0,0,1,0,0|0,0,2]=4 68 B12R1.1343 O=C(O)CCN1CCCCCC1 SBB010525 [1,0,0,1,0,0|1,0,1]=4 69 B12R1.1343 O=C(O)CNC1CCCCCC1 SBB046505 [1,0,0,1,0,0|1,0,1]=4 70 B14R1.26 CCCCCCCC1CCCC(=O)O1 SBB071496 [0,1,0,1,0,0|0,0,2]=4 71 B14R1.4728 CCCCCCCCC1CC1C(=O)O SBB001548 [0,1,0,1,0,0|0,0,2]=4 72 B14R1.6414 O=C(O)C1CCCCCCCCCC1 SBB069116 [0,1,0,1,0,0|0,0,2]=4 73 B14R1.14 CCCCCCCC1=CC=C(O)C=C1 SBB059156 [0,1,0,1,0,0|1,0,1]=4 74 B14R1.423 O=C(O)\C=C\C(=O)NC1CCCCC1 SBB015200 [0,1,0,1,0,0|1,0,1]=4