0 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [1,0,0,0,0,0|0,0,3]=4 1 B10R0.4 CCCCCCC#CC(=O)O S354023 [1,0,0,0,0,0|0,0,0]=1 2 B10R0.4 CCCCCCCCC(=O)N S595268 [1,0,0,0,0,0|1,0,2]=4 3 B10R0.4 CCCCCCCNC(=O)C R704377 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.4 CCCCCCCNC(=O)N S516643 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.74 CCCCCC#CC(=O)CC S128325 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.74 CCCCCCCC(=O)CC S544043 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.74 CCCCCCCC(=O)NO CDS000528 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.74 CCCCCCNC(=O)NC S892793 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [1,0,0,0,0,0|3,0,0]=4 11 B12R0.184 COC(=O)NCCCCNC(C)C PH013070 [0,1,0,0,0,0|2,0,1]=4 12 B12R0.248 CCCCCC#CCCC(=O)OC S884480 [0,1,0,0,0,0|0,0,2]=3 13 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,1,0,0,0,0|1,0,2]=4 14 B12R0.248 COC(=O)CCCCCCCCI T266353 [0,1,0,0,0,0|0,0,2]=3 15 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.27 COC(=O)CCN1CCCCC1 PH006882 [0,0,0,1,0,0|1,0,2]=4 17 B12R1.27 COC(=O)CNC1CCOCC1 CDS023751 [0,0,0,1,0,0|2,0,1]=4 18 B12R1.477 COC(=O)NCCC1CCCC1 T175315 [0,0,0,1,0,0|1,0,1]=3 19 B9R0.2 COCCCCCC(=O)O CBR00492 [2,0,0,0,0,0|1,0,1]=4 20 B9R0.45 CCCCCCC#CCBr PH009441 [2,0,0,0,0,0|1,0,1]=4 21 B9R0.46 CCCCC#CC(=O)OC PH000094 [2,0,0,0,0,0|0,0,0]=2 22 B9R0.46 COC(=O)CCCCCBr S125334 [2,0,0,0,0,0|1,0,0]=3 23 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [1,1,0,0,0,0|0,0,2]=4 24 B11R0.42 CCCCCC/C=C(/C)\C(=O)O S489905 [1,1,0,0,0,0|0,0,2]=4 25 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [1,1,0,0,0,0|0,0,2]=4 26 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [1,1,0,0,0,0|0,0,2]=4 27 B11R0.148 CCCCCC#CCCC(=O)C S884901 [1,1,0,0,0,0|0,0,2]=4 28 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [1,1,0,0,0,0|0,0,2]=4 29 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.148 O=C(O)CCCCCCCCBr T333328 [1,1,0,0,0,0|0,0,2]=4 31 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [1,1,0,0,0,0|0,0,2]=4 32 B13R0.275 CCCCCC/C=C(\C)/C(=O)OCC S884383 [0,2,0,0,0,0|0,0,2]=4 33 B13R0.275 CCCCCCCC(Br)C(=O)OCC PH006096 [0,2,0,0,0,0|0,0,2]=4 34 B13R0.275 CCCCCCNC(=O)C(=O)OCC R622389 [0,2,0,0,0,0|1,0,1]=4 35 B11R1.86 CC(=O)CN1CCCCC1C R433667 [1,0,0,1,0,0|1,0,1]=4 36 B11R1.86 CC1CCCCC1CC(=O)O L127892 [1,0,0,1,0,0|0,0,2]=4 37 B11R1.86 CC\1CCCC/C1=C\C(=O)O L128546 [1,0,0,1,0,0|0,0,2]=4 38 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [1,0,0,1,0,0|1,0,1]=4 39 B11R1.101 O=C1C=CCCCCCCC1 T231835 [1,0,0,1,0,0|0,0,2]=4 40 B11R1.101 O=C1CCCCCCCCN1 S929964 [1,0,0,1,0,0|1,0,1]=4 41 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [1,0,0,1,0,0|1,0,1]=4 42 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [1,0,0,1,0,0|0,0,1]=3 43 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [1,0,0,1,0,0|0,0,2]=4 44 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [1,0,0,1,0,0|2,0,0]=4 45 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [1,0,0,1,0,0|2,0,0]=4 46 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [1,0,0,1,0,0|1,0,1]=4 47 B11R1.222 COC(=O)C1CCCCC1O S764612 [1,0,0,1,0,0|1,0,1]=4 48 B13R1.42 CCOC(=O)CCC1CCCCC1 R278807 [0,1,0,1,0,0|0,0,2]=4 49 B13R1.1575 CCOC(=O)NN1CCCCCC1 PH009331 [0,1,0,1,0,0|2,0,0]=4 50 B13R1.2851 CCCCCC1CC1C(=O)OCC T172472 [0,1,0,1,0,0|0,0,2]=4 51 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 CDS003924 [0,1,0,1,0,0|0,0,2]=4 52 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 CDS007976 [0,1,0,1,0,0|0,0,2]=4 53 B13R1.546 COC(=O)C1=C(CCCCCC1)O T232718 [0,1,0,1,0,0|0,0,2]=4 54 B13R1.4928 COC(=O)CN1[C@H](CCC[C@H]1C)C PH016445 [0,1,0,1,0,0|1,0,1]=4 55 B13R2.1095 [C@H]12CCC[C@H]1N(CC2)C(=O)OC T175412 [0,0,0,2,0,0|1,0,1]=4 56 B13R2.6859 COC(=O)CC1CC2CCC1C2 EME00073 [0,0,0,2,0,0|0,0,2]=4