0 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.74 COC(=O)CCCCCCN F19219 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 CC(C)CCCCCCO D98911 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.2 CNCCCCCC(=O)O AT21580 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.45 C=CCCCCCCCC T73018 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.45 CC#CCCCCCCC H11435 [1,0,0,0,0,0|0,0,2]=3 7 B9R0.45 C\C=C/CCCCCCC T70533 [1,0,0,0,0,0|0,0,2]=3 8 B9R0.45 NCCCCNCCCN T72522 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.46 CCCCCC[C@H](O)CO C16570 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.46 OCCCCC[C@H](O)CO T72391 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.1 CNCCC1CCN(C)CC1 AC8437 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.1 CNCCN1CCC(O)CC1 W15204 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.1 COCCN1CCC(N)CC1 95354 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.40 NC[C@H](O)CN1CCOCC1 C12312 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.40 NC[C@H](O)CN1CCOCC1 D72465 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.40 N[C@H](CO)CC1CCCCC1 C15270 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.40 N[C@H](CO)CC1CCCCC1 C72250 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.40 N[C@H](CO)CC1CCCCC1 C77724 [0,0,0,1,0,0|2,0,0]=3 21 B8R0.4 CCC#CCCCCC T72039 [2,0,0,0,0,0|0,0,2]=4 22 B8R0.4 CNCCCCCCO AT11159 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.4 COCCNCCCO FD7300 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.4 ClCCCCCCCCl T71360 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.4 NCCCCCCCO AT22494 [2,0,0,0,0,0|1,0,0]=3 26 B8R0.4 OCCCOCCCCl D84666 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.7 [2H][C@H](O)CCCCCC D99646 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.6 C#C[C@@H](O)CCCCC 51060 [2,0,0,0,0,0|0,0,2]=4 30 B8R0.6 C#C[C@@H](O)CCCCC T72294 [2,0,0,0,0,0|0,0,2]=4 31 B8R0.6 CC[C@H](C)CCCCO T72651 [2,0,0,0,0,0|2,0,0]=4 32 B10R0.3 CCOC(C)COCC(C)O F20819 [1,1,0,0,0,0|2,0,0]=4 33 B10R0.4 CC(C)CCCCCCC=O D86949 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.4 CC(C)CCCCCCCO D98228 [1,1,0,0,0,0|1,0,0]=3 35 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [1,1,0,0,0,0|1,0,1]=4 36 B10R0.22 [2H]C([2H])(I)CCCCCCC D98871 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.22 [2H]C([2H])(O)CCCCCCC D98285 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.71 CCOCCNCCOCC D88790 [1,1,0,0,0,0|2,0,0]=4 39 B10R0.71 OCCOCCCCCCCl D71999 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [1,1,0,0,0,0|0,0,0]=2 41 B12R0.1 CCCCCCCC[C@@H](C)CCC T72705 [0,2,0,0,0,0|1,0,0]=3 42 B12R0.4 CCCCCCC[C@H](O)CC(C)C N13327 [0,2,0,0,0,0|0,0,0]=2 43 B12R0.57 CCCCCCC#CC(OC)OC F11698 [0,2,0,0,0,0|1,0,1]=4 44 B12R0.248 OCCCCCCCC[C@H](O)CO T71454 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.10 CCCN1CCC[C@H](O)C1 AC5777 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.18 C[C@H](N)CC1CCCCC1 N13140 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.61 CC1CCCCC1B(O)O D96319 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.133 C=CC[C@H]1CCC[C@]1(C)O F50030 [1,0,0,1,0,0|0,0,2]=4 49 B10R1.5 CCN1CCC[C@@H]1CCN F50256 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.5 CCN1CCC[C@@H]1CCN F50332 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.17 CCCCC1CCNCC1 30336 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.17 CNCCC1CCCCC1 P10203 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.17 CNCCN1CCCCC1 S11703 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.17 COCC[C@H]1CCCCN1 32735 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.17 OCCCC1CCNCC1 I11792 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [1,0,0,1,0,0|1,0,1]=4 57 B10R1.85 NCCN1CCCCCC1 C11320 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.85 OCCC1CCCCCC1 E10088 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.161 CNC1CCCCCCC1 L10188 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.1 CCCC1CCC(N)CC1 T71534 [1,0,0,1,0,0|1,0,0]=3 61 B10R1.1 NCCC1CCC(N)CC1 D88527 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.1 NCCN1CCC(O)CC1 52131 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.1 OC1CCN(CCCl)CC1 D88174 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.1 OC1CCN(CCF)CC1 P10752 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.15 CC[C@H](N)C1CCOCC1 53163 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.15 CC[C@H](O)C1CCOCC1 AC9165 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.27 CN[C@@H](C)CC1CCCC1 D84278 [1,0,0,1,0,0|2,0,0]=4 69 B12R1.1 CCCCCC1CCC(N)CC1 T70867 [0,1,0,1,0,0|1,0,0]=3 70 B12R1.1 CCCCC[C@H]1CC[C@H](O)CC1 T71331 [0,1,0,1,0,0|0,0,0]=2 71 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 AT24789 [0,1,0,1,0,0|1,0,1]=4 72 B12R1.71 CCCCN1CCC(CN)CC1 S11467 [0,1,0,1,0,0|2,0,0]=4 73 B12R1.21 CC(C)CNC1CCC(O)CC1 93649 [0,1,0,1,0,0|1,0,0]=3 74 B12R2.294 NC1CCN(CC2CC2)CC1 S11168 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.294 NC1CCN(CC2CC2)CC1 W15949 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.1175 O=C1CCC2(CCCC2)CC1 F19719 [0,0,0,2,0,0|0,0,2]=4 77 B12R2.1175 OC1CCC2(CCCN2)CC1 P13155 [0,0,0,2,0,0|1,0,0]=3 78 B12R2.1175 OC1CCC2(CCCN2)CC1 P13156 [0,0,0,2,0,0|1,0,0]=3 79 B12R2.2302 NC1CCN(C2CCC2)CC1 C77731 [0,0,0,2,0,0|2,0,0]=4 80 B12R2.202 CN1CCCC2CC(N)CC21 F53661 [0,0,0,2,0,0|2,0,0]=4 81 B12R2.4133 NC[C@]1(O)CN2CCC1CC2 F50894 [0,0,0,2,0,0|2,0,0]=4