0 B11R0.140 CCCCC[Sn](=O)CCCCC S395854 [1,0,0,0,0,0|2,0,1]=4 1 B11R0.147 CCCOC(=S)SCCC(=O)O PH007126 [1,0,0,0,0,0|2,1,0]=4 2 B11R0.148 CCCCCC#CCCC(=O)C S884901 [1,0,0,0,0,0|1,0,2]=4 3 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [1,0,0,0,0,0|0,0,3]=4 4 B11R0.148 CCCCCCCCCC(=N)N PH012191 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.148 CCCCCCCCCC(=O)N S549878 [1,0,0,0,0,0|1,0,1]=3 6 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [1,0,0,0,0,0|2,0,1]=4 7 B11R0.148 O=C(O)CCCCCCCCBr T333328 [1,0,0,0,0,0|1,0,1]=3 8 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [1,0,0,0,0,0|1,0,1]=3 9 B13R0.1 CCCCCCC(=O)CCCC(=O)O S580511 [0,1,0,0,0,0|0,0,0]=1 10 B13R0.339 CCCCOC(=O)CCC(N)C(=O)O PH008960 [0,1,0,0,0,0|1,0,0]=2 11 B13R0.1398 CC(=O)CCCC(C)CCCC(C)C L299308 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.280 O=C(O)CCN1CCCCCC1=O CBR00470 [0,0,0,1,0,0|1,0,0]=2 13 B13R1.3386 N#CCCN1C(=O)CCC1C(=O)O R150010 [0,0,0,1,0,0|2,0,1]=4 14 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,0,0,0,1,0|0,0,0]=1 15 B11R0.46 NCCCNC(=O)CCC(=O)O PH010609 [0,0,0,0,1,0|2,0,0]=3 16 B10R0.91 CCCCOC(=O)CCCN T160474 [2,0,0,0,0,0|2,0,0]=4 17 B10R0.3 CCOC(=O)CCCC(=O)O PH011452 [2,0,0,0,0,0|1,0,0]=3 18 B10R0.3 NCCC(=O)NCCC(=O)O PH009697 [2,0,0,0,0,0|2,0,0]=4 19 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [2,0,0,0,0,0|0,0,1]=3 20 B10R0.4 CCCCCCC#CC(=O)O S354023 [2,0,0,0,0,0|0,0,2]=4 21 B10R0.4 CCCCCCCCC(=N)N PH012190 [2,0,0,0,0,0|2,0,0]=4 22 B10R0.4 CCCCCCCCC(=O)N S595268 [2,0,0,0,0,0|1,0,0]=3 23 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [2,0,0,0,0,0|1,0,1]=4 24 B10R0.4 CCCCCCCNC(=O)C R704377 [2,0,0,0,0,0|2,0,0]=4 25 B10R0.4 CCCCCCCNC(=O)N S516643 [2,0,0,0,0,0|2,0,0]=4 26 B12R0.2 CCCC[C@@H](C)C[C@H](N)CC(=O)O PH001836 [1,1,0,0,0,0|1,0,1]=4 27 B12R0.44 O=C(O)CCCC(=O)CCC(=O)O T273805 [1,1,0,0,0,0|1,0,1]=4 28 B12R0.234 CCCCCCCCCOC(=O)C S364258 [1,1,0,0,0,0|1,0,1]=4 29 B12R0.234 CCCCCCCCNCC(=O)N PH010602 [1,1,0,0,0,0|1,0,1]=4 30 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [1,1,0,0,0,0|0,0,1]=3 31 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [1,1,0,0,0,0|0,0,2]=4 32 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [1,1,0,0,0,0|0,0,2]=4 33 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [1,1,0,0,0,0|1,0,1]=4 34 B12R0.248 CCCCCCCCCC(=O)NN S550280 [1,1,0,0,0,0|1,0,1]=4 35 B12R0.248 COC(=O)CCCCCCCCI T266353 [1,1,0,0,0,0|1,0,1]=4 36 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [1,1,0,0,0,0|0,0,1]=3 37 B12R0.123 C=C(CC(=O)OCCCC)C(=O)O PH000089 [0,1,0,0,1,0|1,0,1]=4 38 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [1,0,0,1,0,0|2,0,0]=4 39 B12R1.1631 CCCCN1C(=O)CCNC1=O PH010745 [1,0,0,1,0,0|2,0,0]=4 40 B12R1.1631 O=C1CCCC(=O)N1CCCCl PH018014 [1,0,0,1,0,0|2,0,0]=4 41 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [1,0,0,1,0,0|2,0,0]=4 42 B12R1.125 O=C(O)CCC1CCCCC1=O PH010413 [1,0,0,1,0,0|0,0,0]=2 43 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [1,0,0,1,0,0|1,0,1]=4 44 B12R1.252 O=C(O)CCCN1CCCCC1 PH017094 [1,0,0,1,0,0|2,0,0]=4 45 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O BBO000397 [1,0,0,1,0,0|1,0,1]=4 46 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [1,0,0,1,0,0|1,0,1]=4 47 B12R1.1343 O=C(O)CCN1CCCCCC1 T318035 [1,0,0,1,0,0|1,0,1]=4 48 B12R1.1392 O=C(O)CN1CCCCCCC1 T318949 [1,0,0,1,0,0|1,0,1]=4 49 B12R1.54 O=C(O)CCC(=O)N1CCCC1 S701327 [0,0,0,1,1,0|1,0,0]=3 50 B12R1.206 O=C1CCC(=O)OCCCCO1 S765023 [0,0,0,1,1,0|1,0,0]=3 51 B14R1.729 COC(=O)CCNC(=O)C1CCCO1 EME00393 [0,1,0,1,0,0|2,0,0]=4 52 B14R1.758 COCCN1CC(CCC1=O)C(=O)O CBR00270 [0,1,0,1,0,0|2,0,0]=4 53 B10R0.6 CCCCNC(=O)CC(=O)C R466115 [0,0,0,0,2,0|2,0,0]=4 54 B14R0.231 C=CCCCC(=O)CCCCCC(=O)O S869910 [0,0,0,0,0,2|0,0,2]=4