0 B16R0.274 CCCCCCCCCCCCCCC(=O)O CS-W004283 [0,0,0,0,0,0|0,0,0]=0 1 B16R0.274 CCCCCCCCCCNCCCC(=O)O CS-0221806 [0,0,0,0,0,0|1,0,0]=1 2 B16R0.274 O=C(O)CCCCCCCCCCCCCBr CS-0091052 [0,0,0,0,0,0|1,0,0]=1 3 B16R0.274 O=C(O)CCCCCCCCCCCCCO CS-0161824 [0,0,0,0,0,0|1,0,0]=1 4 B15R0.70 BrCCCCCCCCCCCCCCBr CS-0162836 [1,0,0,0,0,0|2,0,1]=4 5 B15R0.70 C=CCCCCCCCCCCCCCBr CS-0199725 [1,0,0,0,0,0|2,0,0]=3 6 B15R0.70 C=CCCCCCCCCCCCCCC CS-0158002 [1,0,0,0,0,0|1,0,0]=2 7 B15R0.70 CCCCCCCCCCCCCCCC CS-0152222 [1,0,0,0,0,0|1,0,1]=3 8 B15R0.70 CCCCCCCCCCCCCCCO CS-W004295 [1,0,0,0,0,0|0,0,1]=2 9 B15R0.70 CCCCCCCCNCCCCCCC CS-0147099 [1,0,0,0,0,0|2,0,1]=4 10 B15R0.70 OCCCCCCCCCCCCCCBr CS-0082396 [1,0,0,0,0,0|1,0,1]=3 11 B15R0.70 OCCCCCCCCCCCCCCO CS-W006457 [1,0,0,0,0,0|1,0,1]=3 12 B15R0.164 C#CCCCCCCCCCCCC(=O)O CS-0115159 [1,0,0,0,0,0|0,0,2]=3 13 B15R0.164 CCCCCCCCCCCCCC(=O)O CS-0018531 [1,0,0,0,0,0|0,0,0]=1 14 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CS-0198234 [1,0,0,0,0,0|0,0,1]=2 15 B15R0.164 CCCCCCCCCCCCCC(C)=O CS-0187603 [1,0,0,0,0,0|1,0,0]=2 16 B15R0.164 CCCCCCCCCCCCCC(N)=O CS-0152225 [1,0,0,0,0,0|1,0,0]=2 17 B15R0.164 O=C(O)CCCCCCCCCCCCBr CS-0254699 [1,0,0,0,0,0|1,0,0]=2 18 B15R0.164 O=C(O)CCCCCCCCCCCCO CS-0523206 [1,0,0,0,0,0|1,0,0]=2 19 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CS-W021044 [0,1,0,0,0,0|0,0,1]=2 20 B17R0.43 C(CCCCCC)=CCCCCCCCC(=O)O CS-W012589 [0,1,0,0,0,0|0,0,1]=2 21 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CS-0009861 [0,1,0,0,0,0|0,0,0]=1 22 B17R0.43 CCCCCCCCCCCCCCCC(N)=O CS-0081845 [0,1,0,0,0,0|1,0,0]=2 23 B17R0.43 CCCCCCCCCCCCCCOC(C)=O CS-W023024 [0,1,0,0,0,0|1,0,0]=2 24 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr CS-W007241 [0,1,0,0,0,0|0,0,0]=1 25 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CS-0158376 [0,1,0,0,0,0|0,0,0]=1 26 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O CS-0201674 [0,1,0,0,0,0|1,0,1]=3 27 B17R0.195 CCCCCCCCCCCCCCC(=O)OC CS-W004289 [0,1,0,0,0,0|0,0,0]=1 28 B17R0.195 CCCCCCCCCCCCCCC(O)CO CS-W012532 [0,1,0,0,0,0|0,0,2]=3 29 B17R0.197 CCCCCCCCCCCCCCS(=O)(=O)[O-] CS-0148402 [0,1,0,0,0,0|1,0,1]=3 30 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C CS-0014809 [0,1,0,0,0,0|3,0,0]=4 31 B17R0.197 CCCCCCCCCCCCCC[N+](C)(C)C CS-W012185 [0,1,0,0,0,0|3,0,0]=4 32 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O CS-W012535 [0,1,0,0,0,0|1,0,1]=3 33 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CS-0085751 [0,0,0,1,0,0|0,0,0]=1 34 B17R1.29093 CCCCCCCCCCCCCCC1CO1 CS-0204370 [0,0,0,1,0,0|1,0,1]=3 35 B14R0.392 C=CCCCCCCCCCCCCC CS-0186359 [2,0,0,0,0,0|0,0,1]=3 36 B14R0.392 CCCCCCCCCCCCCCBr CS-W012307 [2,0,0,0,0,0|1,0,0]=3 37 B14R0.392 CCCCCCCCCCCCCCC CS-0138815 [2,0,0,0,0,0|0,0,1]=3 38 B14R0.392 CCCCCCCCCCCCCCCl CS-W009494 [2,0,0,0,0,0|1,0,0]=3 39 B14R0.392 CCCCCCCCCCCCCCO CS-W004294 [2,0,0,0,0,0|0,0,0]=2 40 B14R0.392 OCCCCCCCCCCCCCBr CS-0082398 [2,0,0,0,0,0|1,0,0]=3 41 B14R0.392 OCCCCCCCCCCCCCO CS-0158374 [2,0,0,0,0,0|1,0,0]=3 42 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [2,0,0,0,0,0|0,0,2]=4 43 B14R0.394 CCCCCCCCCCCCB(O)O CS-0175075 [2,0,0,0,0,0|1,0,1]=4 44 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [2,0,0,0,0,0|0,0,0]=2 45 B14R0.394 CCCCCCCCCCCCC(C)=O CS-0149221 [2,0,0,0,0,0|1,0,0]=3 46 B14R0.394 CCCCCCCCCCCCS(C)=O CS-W010351 [2,0,0,0,0,0|2,0,0]=4 47 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [2,0,0,0,0,0|1,0,0]=3 48 B16R0.136 CCCCCCCCC(O)CCCCCCC CS-0754535 [1,1,0,0,0,0|1,0,1]=4 49 B16R0.221 CCCCCCCCCCCCCC(O)CC CS-0068715 [1,1,0,0,0,0|1,0,1]=4 50 B16R0.303 CCCCCCCCCCCCCCCC=O CS-W004305 [1,1,0,0,0,0|0,0,0]=2 51 B16R0.303 CCCCCCCCCCCCCCCCBr CS-W009341 [1,1,0,0,0,0|1,0,1]=4 52 B16R0.303 CCCCCCCCCCCCCCCCCl CS-W012500 [1,1,0,0,0,0|1,0,1]=4 53 B16R0.303 CCCCCCCCCCCCCCCCI CS-0179397 [1,1,0,0,0,0|1,0,1]=4 54 B16R0.303 CCCCCCCCCCCCCCCCO CS-D1348 [1,1,0,0,0,0|0,0,1]=3 55 B16R0.303 CCCCCCCCNCCCCCCCC CS-0020010 [1,1,0,0,0,0|1,0,1]=4 56 B16R0.303 CCCCCCCCOCCCCCCCC CS-0188392 [1,1,0,0,0,0|1,0,1]=4 57 B16R0.303 CCCC\C=C/CCCCCCCCCC=O CS-0185735 [1,1,0,0,0,0|0,0,1]=3 58 B16R0.303 CCCC\C=C\CCCCCCCCCCO CS-0152446 [1,1,0,0,0,0|0,0,2]=4 59 B16R0.303 OCCCCCCCCCCCCCCCBr CS-0170814 [1,1,0,0,0,0|0,0,1]=3 60 B16R0.303 OCCCCCCCCCCCCCCCO CS-0110356 [1,1,0,0,0,0|0,0,1]=3 61 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O CS-0150692 [1,1,0,0,0,0|1,0,1]=4 62 B16R0.302 CCCCCCCCCCCC(O)CC(=O)O CS-W010260 [1,1,0,0,0,0|0,0,0]=2 63 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CS-0333355 [1,1,0,0,0,0|0,0,0]=2 64 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CS-0152176 [1,1,0,0,0,0|2,0,0]=4 65 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O CS-0099256 [1,1,0,0,0,0|1,0,1]=4 66 B18R0.171 C=CC(=O)OCCCCCCCCCCCCCC CS-0167396 [0,2,0,0,0,0|1,0,0]=3 67 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN CS-0197094 [0,2,0,0,0,0|1,0,0]=3 68 B18R0.171 CCCCCCCCCCCCCCCC(=O)O[Na] CS-0169045 [0,2,0,0,0,0|0,0,0]=2 69 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC CS-W012404 [0,2,0,0,0,0|0,0,1]=3 70 B18R0.174 CCCCCCCCCCCCCCC(O)C(=O)O CS-0138075 [0,2,0,0,0,0|0,0,0]=2 71 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O CS-W004284 [0,2,0,0,0,0|0,0,0]=2 72 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O CS-0179191 [0,2,0,0,0,0|0,0,0]=2 73 B18R0.176 CCCCCC\C=C/CCCCCCCCC(=O)O CS-0063575 [0,2,0,0,0,0|0,0,0]=2 74 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr CS-0091012 [0,2,0,0,0,0|0,0,0]=2 75 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO CS-0068707 [0,2,0,0,0,0|0,0,0]=2 76 B18R0.974 O=C(O)CCCCCCCCCCCCCC(=O)O CS-W012352 [0,2,0,0,0,0|0,0,1]=3 77 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(=O)O CS-0201675 [0,2,0,0,0,0|1,0,1]=4 78 B18R0.13761 CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] CS-W010094 [0,2,0,0,0,0|1,0,1]=4 79 B18R0.186 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O CS-W010095 [0,2,0,0,0,0|1,0,1]=4 80 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC CS-0185703 [0,2,0,0,0,0|0,0,0]=2 81 B16R1.17455 CCCCCCCCCCCCCC1CO1 CS-0504481 [1,0,0,1,0,0|0,0,1]=3