0 B18R0.220 CCCCCCCCCCCCCC(=O)OC(C)C TS30863 [0,0,0,0,0,0|0,0,0]=0 1 B17R0.43 CCCCCCCCCCCCCCCC(C)C TS28689 [1,0,0,0,0,0|1,0,1]=3 2 B17R0.250 CCCCCCCCCCCCCC(=O)OC=C TS67639 [1,0,0,0,0,0|0,0,2]=3 3 B17R0.250 CCCCCCCCCCCCCC(=O)OCC TS67904 [1,0,0,0,0,0|0,0,0]=1 4 B17R0.250 CCCCCCCCCCCCCC(CCC)O TS67919 [1,0,0,0,0,0|1,0,2]=4 5 B17R0.250 CCCCCCCCCCCCOC(=O)CCC TS67902 [1,0,0,0,0,0|2,0,0]=3 6 B17R0.250 CCCCCCCCCCCCOC(=O)CCS TS33639 [1,0,0,0,0,0|3,0,0]=4 7 B19R1.53162 CCCCCCCCCCCCC1CC(=O)OC1=O TS30589 [0,0,0,1,0,0|1,0,1]=3 8 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=C)C TS28508 [0,0,0,0,1,0|1,0,2]=4 9 B17R0.14245 CCCCCCCCCCCCOC(=O)C(=C)C TS67644 [0,0,0,0,1,0|1,0,2]=4 10 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)Br TS61643 [0,0,0,0,1,0|2,0,0]=3 11 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C TS67900 [0,0,0,0,1,0|1,0,0]=2 12 B17R0.14245 CN(C)C(=O)CCCCCCCCCCCCO TS29098 [0,0,0,0,1,0|2,0,0]=3 13 B19R0.157 CCCCCCCCCCCCCC(=O)OCC(C)C TS34779 [0,0,0,0,0,1|0,0,0]=1 14 B16R0.274 CCCCCCCCCCCCCCC(C)C TS26589 [2,0,0,0,0,0|0,0,1]=3 15 B16R0.274 CCCCCCCCCCCCCCC(C)O TS57772 [2,0,0,0,0,0|1,0,1]=4 16 B16R0.274 CCCCCCCCCCCCCCN(C)C TS26731 [2,0,0,0,0,0|1,0,1]=4 17 B16R0.274 CCCCCCCCCCCCCOC(=O)C TS57758 [2,0,0,0,0,0|1,0,1]=4 18 B16R0.274 CCCCCCCCCCCCCOC([O-])[O-] TS83028 [2,0,0,0,0,0|2,0,0]=4 19 B16R0.303 CCCCCCCCCCCCCCCCC TS26591 [2,0,0,0,0,0|1,0,1]=4 20 B16R0.303 CCCCCCCCCCCCCCCCC TS61610 [2,0,0,0,0,0|1,0,1]=4 21 B16R0.61 CCCCCCCCCCCCC(=O)OCC TS57755 [2,0,0,0,0,0|0,0,0]=2 22 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C TS92988 [2,0,0,0,0,0|0,0,0]=2 23 B16R0.221 CCCCC=CCCCCCCCC(=O)OC TS57434 [2,0,0,0,0,0|0,0,2]=4 24 B16R0.221 CCCCC=CCCCCCCCC(=O)OC TS57449 [2,0,0,0,0,0|0,0,2]=4 25 B16R0.221 CCCCCCCCCCCCCC(=O)CC TS26582 [2,0,0,0,0,0|0,0,0]=2 26 B16R0.221 CCCCCCCCCCCCCC(=O)OC TS57757 [2,0,0,0,0,0|0,0,0]=2 27 B16R0.221 CCCCCCCCCCCCOC(=O)CN TS34159 [2,0,0,0,0,0|2,0,0]=4 28 B16R0.221 CCCCCCCCCCCCOC(=O)CS TS68421 [2,0,0,0,0,0|2,0,0]=4 29 B18R0.171 CCCCCCCCCCCCCCCC(C)CC TS30595 [1,1,0,0,0,0|1,0,1]=4 30 B18R0.176 CC(C)CCCCCCCCCCCCCCCO TS30876 [1,1,0,0,0,0|1,0,1]=4 31 B18R0.176 CCCCCCCCCCCCCCCCC(C)C TS30594 [1,1,0,0,0,0|1,0,1]=4 32 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC TS74049 [1,1,0,0,0,0|0,0,1]=3 33 B18R0.45 CCCCCCCCCCC[C@@H](CC(=O)OCC)O TS33421 [1,1,0,0,0,0|0,0,0]=2 34 B18R0.45 CCCCCCCCCCC[C@H](CC(=O)OCC)O TS33423 [1,1,0,0,0,0|0,0,0]=2 35 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC TS30867 [1,1,0,0,0,0|0,0,0]=2 36 B18R0.110 CCCCCCCCCCCCCOC(=O)CCS TS57975 [1,1,0,0,0,0|2,0,0]=4 37 B18R0.177 CCCCCCCCCCCCC(C(=O)OCC)Br TS78190 [1,1,0,0,0,0|0,0,0]=2 38 B18R0.3155 CCCCCCCCCCCCCC(=O)OCC=C TS73792 [1,1,0,0,0,0|0,0,1]=3 39 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCCl TS35353 [1,1,0,0,0,0|0,0,0]=2 40 B20R0.22320 CCCCCCCCCCCCCC(=O)OCC(CO)O TS74800 [0,1,0,0,0,1|1,0,0]=3 41 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C TS56071 [0,2,0,0,0,0|0,0,0]=2 42 B20R0.2931 CCCCCCCCCCCCCCCC(=O)[N-]C(C)C TS55977 [0,2,0,0,0,0|1,0,0]=3 43 B20R0.28261 CC(C)(C)OC(=O)C(CCCCCCCCCCCN)N TS74648 [0,2,0,0,0,0|1,0,0]=3 44 B18R1.21916 CCCCCCCCCCCCN1CCCC1=O TS28509 [1,0,0,1,0,0|2,0,0]=4 45 B18R1.43424 CCOC(=O)C=C1CCCCCCCCCCC1 TS63171 [1,0,0,1,0,0|0,0,2]=4 46 B18R1.43424 CCOC(=O)CC1CCCCCCCCCCC1 TS67640 [1,0,0,1,0,0|0,0,0]=2