0 B9R0.45 C=CCCCCCCCC T73018 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 CC#CCCCCCCC H11435 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 C\C=C/CCCCCCC T70533 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 NCCOCCOCCO D84703 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.45 OCCOCCOCCF A10821 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.45 OCCOCCOCCS C70223 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.4 CCC#CCCCCC T72039 [1,0,0,0,0,0|0,0,3]=4 7 B8R0.4 CNCCCCCCO AT11159 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.4 COCCNCCCO FD7300 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.4 ClCCCCCCCCl T71360 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 NCCCCCCCO AT22494 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.4 OCCCOCCCCl D84666 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.1 CCOC(=O)CCCCCN 77390 [0,1,0,0,0,0|3,0,0]=4 13 B10R0.4 CC(C)CCCCCCCO D98228 [0,1,0,0,0,0|0,0,2]=3 14 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,0,0,0,0|0,0,1]=2 15 B10R0.71 OCCOCCCCCCCl D71999 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.71 OCCSCCCSCCO T70373 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,1,0,0,0,0|0,0,2]=3 18 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [0,1,0,0,0,0|0,0,2]=3 21 B10R1.17 CCCCC1CCNCC1 30336 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.17 OCCCC1=CCC=CC1 72320 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.17 OCCCC1CCNCC1 I11792 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.20 OCC1=C(CO)CCCC1 C92110 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.21 CCCCCN1C=CN=C1 AC5153 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.85 CCCC1OCC=CCO1 44476 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.85 NCCN1CCCCCC1 C11320 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.85 OCCC1CCCCCC1 E10088 [0,0,0,1,0,0|0,0,2]=3 29 B7R0.1 C=CCCCCCCl I11994 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.1 C=CC\C=C\CCC T72633 [2,0,0,0,0,0|0,0,2]=4 32 B7R0.1 CNCCCCCO AT11157 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.1 CNCCCCCO AT11158 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.1 COCCNCCO AT12488 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|0,0,0]=2 36 B7R0.1 NCCSCCCO AT25557 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.1 O=CCCCCCCl 24359 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.1 OCCCCCCI AT14272 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.1 OCCCNCCO FD7298 [2,0,0,0,0,0|2,0,0]=4 40 B9R0.2 CC(C)CCCCCCO D98911 [1,1,0,0,0,0|0,0,1]=3 41 B9R0.2 CNCCCCCC(=O)O AT21580 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.18 CCCCC(C)CCCC T71863 [1,1,0,0,0,0|0,0,2]=4 43 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|0,0,2]=4 44 B9R0.46 CCCCCC[C@H](O)CO C16570 [1,1,0,0,0,0|0,0,1]=3 45 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,1,0,0,0,0|0,0,1]=3 46 B9R0.46 COCCCCC(=O)OC AC9127 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.46 OCCCCC[C@H](O)CO T72391 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.8 CCCC1CCNCC1 C75224 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.8 CCC[C@H]1CCCCN1 F16887 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.8 CNCC1CCCCC1 P19116 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.8 CNC[C@H]1CCCCO1 F16332 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.8 N#CC=C1CCCCC1 F51913 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.12 CNCCC1CCCC1 P11107 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.12 CNCC[C@H]1CCCO1 F20641 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.12 N#C\C=C\C1CCCC1 70758 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.14 OCC1=C(CO)CCC1 C92113 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.15 CCC1CCCCC1C T72380 [1,0,0,1,0,0|0,0,2]=4 63 B9R1.15 CCC1CCCCC1O D90497 [1,0,0,1,0,0|0,0,1]=3 64 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [1,0,0,1,0,0|1,0,1]=4 65 B9R1.15 NCC1CCCCC1O C77667 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,1,0,0|0,0,2]=4 68 B9R1.89 OC[C@H]1CCCNCC1 73020 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.4 CCCCOCC1=CC=CO1 S11931 [0,1,0,1,0,0|0,0,2]=4 70 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,1,0,1,0,0|1,0,1]=4 71 B11R1.289 CCOC(=O)CCC1CCC1 F52482 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.40 N[C@H](CO)CC1CCCCC1 C15270 [0,1,0,1,0,0|0,0,2]=4 73 B11R1.40 N[C@H](CO)CC1CCCCC1 C72250 [0,1,0,1,0,0|0,0,2]=4 74 B11R1.40 N[C@H](CO)CC1CCCCC1 C77724 [0,1,0,1,0,0|0,0,2]=4 75 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16698 [0,1,0,1,0,0|0,0,2]=4 76 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16699 [0,1,0,1,0,0|0,0,2]=4 77 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16700 [0,1,0,1,0,0|0,0,2]=4 78 B11R2.239 C1CC([C@@H]2CNCCO2)C1 F53791 [0,0,0,2,0,0|1,0,1]=4