0 B9R0.45 C=CCCCCCCCC T73018 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 NCCCCNCCCN T72522 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.45 NCCOCCOCCO D84703 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 OCCOCCOCCF A10821 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.45 OCCOCCOCCS C70223 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.4 CCC#CCCCCC T72039 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.4 CNCCCCCCO AT11159 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.4 COCCNCCCO FD7300 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.4 ClCCCCCCCCl T71360 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.4 NCCCCCCCO AT22494 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.4 OCCCOCCCCl D84666 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.4 CC(C)CCCCCCCO D98228 [0,1,0,0,0,0|0,0,2]=3 12 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,0,0,0,0|0,0,3]=4 13 B10R0.71 OCCOCCCCCCCl D71999 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.71 OCCSCCCSCCO T70373 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,1,0,0,0,0|0,0,2]=3 16 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.17 OCCCC1CCNCC1 I11792 [0,0,0,1,0,0|1,0,2]=4 19 B10R1.20 OC[C@H]1CC=CC[C@@H]1CO C13564 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.85 CCCC1OCC=CCO1 44476 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.85 NCCN1CCCCCC1 C11320 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.85 OCCC1CCCCCC1 E10088 [0,0,0,1,0,0|0,0,2]=3 23 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|0,0,2]=4 24 B7R0.1 C=CC\C=C\CCC T72633 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.1 CNCCCCCO AT11157 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.1 CNCCCCCO AT11158 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.1 COCCNCCO AT12488 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|0,0,0]=2 29 B7R0.1 NCCSCCCO AT25557 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.1 OCCCCCCI AT14272 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.1 OCCCNCCO FD7298 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.1 OCC\C=C\CCO AT19969 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.2 CC(C)CCCCCCO D98911 [1,1,0,0,0,0|0,0,1]=3 34 B9R0.5 CCOC(=O)CCCNC AB10379 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.18 CCCCC(C)CCCC T71863 [1,1,0,0,0,0|0,0,2]=4 36 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|0,0,2]=4 37 B9R0.46 CCCCCC[C@H](O)CO C16570 [1,1,0,0,0,0|0,0,1]=3 38 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,1,0,0,0,0|0,0,1]=3 39 B9R0.46 OCCCCC[C@H](O)CO T72391 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.4 CCC\C=C\CCC(=O)OCC E70248 [0,2,0,0,0,0|1,0,1]=4 41 B11R0.3 OCCCOCCOCCCO AT11128 [0,2,0,0,0,0|1,0,1]=4 42 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.8 CCCC1CCNCC1 C75224 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.8 CCC[C@H]1CCCCN1 F16887 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.8 CNC[C@H]1CCCCO1 F16332 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.8 N#CC=C1CCCCC1 F51913 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.8 OCCN1CCCCO1 72896 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.8 OCC[C@H]1CNCCO1 A50782 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.12 CNCC[C@H]1CCCO1 F20641 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.12 N#C\C=C\C1CCCC1 70758 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.12 NCCOC1CCCC1 AC3097 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.12 OCCO[C@H]1CCNC1 AT22525 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.15 CCC1CCCCC1C T72380 [1,0,0,1,0,0|0,0,2]=4 58 B9R1.15 CCC1CCCCC1O D90497 [1,0,0,1,0,0|0,0,1]=3 59 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.15 CO[C@H]1CCNC[C@@H]1O P16832 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77689 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.15 NCC1CCCCC1O C77667 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P16189 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [1,0,0,1,0,0|1,0,1]=4 65 B9R1.15 OCC1CCNCC1O 33470 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [1,0,0,1,0,0|2,0,0]=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 B11R1.30 NCCC(=O)NC1CCCC1 F21050 [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 B11R2.20 C1CO[C@H]2CCNC[C@@H]2C1 W13307 [0,0,0,2,0,0|1,0,1]=4 79 B11R2.239 C1CC([C@@H]2CNCCO2)C1 F53791 [0,0,0,2,0,0|1,0,1]=4