0 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [1,0,0,0,0,0|0,0,0]=1 2 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,0,1,0,0,0|0,0,2]=3 3 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,0,1,0,0,0|0,0,0]=1 4 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,0,1,0,0,0|0,0,1]=2 5 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,0,1,0,0,0|1,0,0]=2 6 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,0,1,0,0,0|1,0,0]=2 7 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,0,1,0,0,0|2,0,0]=3 8 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,0,1,0,0,0|0,0,2]=3 9 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,0,1,0,0,0|0,0,2]=3 10 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,0,1,0,0,0|1,0,0]=2 11 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,0,1,0,0,0|1,0,0]=2 12 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [0,0,1,0,0,0|2,0,0]=3 13 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [0,0,1,0,0,0|3,0,0]=4 14 B12R0.5 C=CCCCCCCCCCCBr CS-W005954 [1,0,1,0,0,0|2,0,0]=4 15 B12R0.5 C=CCCCCCCCCCCC CS-0186370 [1,0,1,0,0,0|1,0,0]=3 16 B12R0.5 CCCCCCCCCCCCC CS-0128437 [1,0,1,0,0,0|1,0,1]=4 17 B12R0.5 CCCCCCCCCCCCCl CS-W013184 [1,0,1,0,0,0|1,0,1]=4 18 B12R0.5 CCCCCCCCCCCCI CS-0197229 [1,0,1,0,0,0|1,0,1]=4 19 B12R0.5 CCCCCCCCCCCCN CS-0013582 [1,0,1,0,0,0|1,0,1]=4 20 B12R0.5 CCCCCCCCCCCCN CS-0152187 [1,0,1,0,0,0|1,0,1]=4 21 B12R0.5 CCCCCCCCCCCCO CS-D1360 [1,0,1,0,0,0|0,0,1]=3 22 B12R0.5 CCOCCCCCCCCCO CS-B0285 [1,0,1,0,0,0|1,0,1]=4 23 B12R0.5 OCCCCCCCCCCCBr CS-W014623 [1,0,1,0,0,0|1,0,1]=4 24 B12R0.5 OCCCCCCCCCCCO CS-W005218 [1,0,1,0,0,0|1,0,1]=4 25 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [1,0,1,0,0,0|0,0,2]=4 26 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [1,0,1,0,0,0|0,0,2]=4 27 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [1,0,1,0,0,0|0,0,0]=2 28 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [1,0,1,0,0,0|1,0,0]=3 29 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [1,0,1,0,0,0|1,0,0]=3 30 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [1,0,1,0,0,0|1,0,0]=3 31 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [1,0,1,0,0,0|1,0,0]=3 32 B12R0.248 CCCCCCCCCC(=O)NN CS-0318324 [1,0,1,0,0,0|2,0,0]=4 33 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [1,0,1,0,0,0|1,0,0]=3 34 B12R0.248 CCCCCCCCCC(=O)O[Na] CS-0034995 [1,0,1,0,0,0|2,0,0]=4 35 B12R0.248 CCCCCCCCOC(=O)CN CS-W013080 [1,0,1,0,0,0|1,0,0]=3 36 B12R0.248 COC(=O)CCCCCCCCBr CS-0129031 [1,0,1,0,0,0|2,0,0]=4 37 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.7 CCCCCCC1CCC(=O)O1 CS-W017696 [2,0,0,0,0,0|0,0,0]=2 39 B14R0.68 O=C(O)CCCCCCCCCC(=O)O CS-W014841 [0,1,1,0,0,0|1,0,1]=4 40 B14R0.305 COC(=O)CCCCCCCCC(=O)O CS-0206512 [0,1,1,0,0,0|1,0,1]=4 41 B14R0.337 C=CC(=O)OCCCCCCCCCC CS-0320686 [0,1,1,0,0,0|2,0,0]=4 42 B14R0.337 CCCCCCCCCCCC(=O)NC CS-0207165 [0,1,1,0,0,0|1,0,0]=3 43 B14R0.337 CCCCCCCCCCCC(=O)NN CS-0315851 [0,1,1,0,0,0|1,0,0]=3 44 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [0,1,1,0,0,0|0,0,0]=2 45 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [0,1,1,0,0,0|0,0,0]=2 46 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [0,1,1,0,0,0|1,0,0]=3 47 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [0,1,1,0,0,0|1,0,0]=3 48 B14R0.340 CCCCCCCCCCC(N)C(=O)O CS-0152253 [0,1,1,0,0,0|0,0,0]=2 49 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [0,1,1,0,0,0|0,0,1]=3 50 B14R0.394 CCCCCCCCCCCCB(O)O CS-0175075 [0,1,1,0,0,0|1,0,1]=4 51 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [0,1,1,0,0,0|0,0,0]=2 52 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [0,1,1,0,0,0|1,0,0]=3 53 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [0,1,1,0,0,0|2,0,0]=4 54 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [0,1,1,0,0,0|0,0,0]=2 55 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [0,1,1,0,0,0|1,0,0]=3 56 B14R0.393 CCOC(=O)CCCCCCCCCBr CS-0001454 [0,1,1,0,0,0|2,0,0]=4 57 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,0,1,1,0,0|0,0,0]=2 58 B14R1.4408 O=C1CCCCCCCCCCCN1 CS-0313348 [0,0,1,1,0,0|1,0,0]=3 59 B14R1.14 CCCCCCCC1CCC(=O)CC1 CS-0162601 [0,0,1,1,0,0|1,0,0]=3 60 B12R0.251 CCCCCCCCC(O)C(=O)O CS-0064248 [0,0,1,0,1,0|2,0,0]=4 61 B12R0.251 CCCCCCCC[C@H](N)C(=O)O CS-0182631 [0,0,1,0,1,0|2,0,0]=4