0 B10R0.74 COC(=O)CCCCCC=O A51072 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.74 COC(=O)CCCCCCN F19219 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 CNCCCCCC(=O)O AT21580 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.45 C\C=C/CCCCCCC T70533 [1,0,0,0,0,0|1,0,2]=4 4 B9R0.46 COC(=O)COCCCO 56926 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.46 COCCCCC(=O)OC AC9127 [1,0,0,0,0,0|1,0,1]=3 6 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,1,0,0,0,0|2,0,1]=4 7 B11R0.106 COC(=O)\C=C\CCC(=O)OC D87689 [0,1,0,0,0,0|1,0,1]=3 8 B11R0.154 CCCCCC(=O)CC(=O)OC A11017 [0,1,0,0,0,0|0,0,1]=2 9 B11R1.25 COC(=O)CCN1CCCC1 D72568 [0,0,0,1,0,0|1,0,2]=4 10 B11R1.25 COC(=O)CNC1CCCC1 AB10047 [0,0,0,1,0,0|1,0,1]=3 11 B11R1.25 COC(=O)CO[C@H]1CCNC1 F13057 [0,0,0,1,0,0|2,0,1]=4 12 B11R1.40 COC(=O)C[C@H]1CCCNC1 AB9802 [0,0,0,1,0,0|1,0,2]=4 13 B11R1.59 CCC1=C(C(=O)OC)C=CN1 F17904 [0,0,0,1,0,0|1,0,2]=4 14 B11R1.59 CCC1=C(C(=O)OC)C=NO1 F30617 [0,0,0,1,0,0|2,0,1]=4 15 B11R1.59 CCN1C=NC=C1C(=O)OC F51540 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [0,0,0,1,0,0|1,0,2]=4 17 B11R1.222 COC(=O)C1CCCCC1N F52864 [0,0,0,1,0,0|1,0,2]=4 18 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.222 COC(=O)C1CCCNC1C F30030 [0,0,0,1,0,0|1,0,2]=4 20 B11R1.222 COC(=O)C1NCCCC1O AC4816 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.222 COC(=O)N1CCNC[C@@H]1C AT22989 [0,0,0,1,0,0|2,0,1]=4 22 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N 20978 [0,0,0,1,0,0|1,0,2]=4 23 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C AC4979 [0,0,0,1,0,0|1,0,2]=4 24 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,0,0,1,0,0|1,0,1]=3 25 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC5424 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.852 COC(=O)[C@H]1CCCNCC1 P11164 [0,0,0,1,0,0|1,0,2]=4 27 B8R0.7 CC(=O)NCCCCN S12336 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.7 CCCCC#CC(=O)O T71801 [2,0,0,0,0,0|0,0,2]=4 29 B8R0.7 CCCCNCC(=O)O D87235 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.7 CNCCCNC(C)=O C78307 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.6 COC(=O)NCCCN AT13710 [2,0,0,0,0,0|2,0,0]=4 32 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [1,1,0,0,0,0|0,0,0]=2 33 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [1,1,0,0,0,0|0,0,2]=4 34 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [1,1,0,0,0,0|1,0,1]=4 35 B12R0.1 CCCCCC\C=C\C(=O)OCC AC9668 [0,2,0,0,0,0|0,0,0]=2 36 B12R0.184 COC(=O)CCCCCCC(C)C A10623 [0,2,0,0,0,0|0,0,2]=4 37 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [1,0,0,1,0,0|1,0,1]=4 38 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [1,0,0,1,0,0|0,0,0]=2 40 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50240 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50307 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50425 [1,0,0,1,0,0|1,0,1]=4 43 B10R1.66 O=[N+]([O-])\C=C\C1CCCC1 W12989 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [1,0,0,1,0,0|1,0,1]=4 45 B10R1.348 OB(O)C1=CCCCCC1 AT23172 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.15 COC(=O)C1=CCCCO1 S11698 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.27 COC(=O)C[C@H]1CCOC1 D76458 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.149 COC(=O)[C@@H]1CCCN1C C74446 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 98154 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.151 COC(=O)\C=C\C1CCC1 W11680 [1,0,0,1,0,0|0,0,0]=2 53 B10R1.157 COC(=O)CC1CC1CN D79180 [1,0,0,1,0,0|1,0,1]=4 54 B12R1.32 CCOC(=O)C=C1CCCOC1 E72700 [0,1,0,1,0,0|1,0,0]=3 55 B12R1.27 COC(=O)CCN1CCCCC1 63638 [0,1,0,1,0,0|0,0,2]=4 56 B12R1.27 COC(=O)\C=C\N1CCOCC1 AC2685 [0,1,0,1,0,0|1,0,0]=3 57 B12R1.49 COC(=O)CC1CCC(N)CC1 AT26681 [0,1,0,1,0,0|0,0,2]=4 58 B12R1.49 COC(=O)CN1CCC(N)CC1 C78556 [0,1,0,1,0,0|1,0,1]=4 59 B12R1.34 COC(=O)[C@@H](Br)C1CCCCC1 C78328 [0,1,0,1,0,0|0,0,2]=4 60 B12R1.34 COC(=O)[C@@H](C)C1CCCCC1 F14171 [0,1,0,1,0,0|0,0,2]=4 61 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 67410 [0,1,0,1,0,0|0,0,2]=4 62 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 AT23681 [0,1,0,1,0,0|0,0,2]=4 63 B12R1.179 CCCC1=NC(C(=O)OC)=CO1 AC6624 [0,1,0,1,0,0|1,0,1]=4 64 B12R1.179 CCCC1=NC=C(C(=O)OC)N1 F30789 [0,1,0,1,0,0|1,0,1]=4 65 B12R1.1731 COC(=O)C1(N)CCCCCC1 I11768 [0,1,0,1,0,0|0,0,2]=4 66 B12R1.3524 COC(=O)CC1(N)CCCCC1 63918 [0,1,0,1,0,0|0,0,2]=4 67 B12R2.1175 O=C1C=CC2(CCCC2)CC1 F19764 [0,0,0,2,0,0|1,0,0]=3 68 B12R2.1596 COC(=O)C1=CC2CCC1O2 F52822 [0,0,0,2,0,0|1,0,0]=3