0 B8R0.6 CCCCOC(=O)C=O 39366 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.6 COC(=O)C#CCCO AT15754 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 COC(=O)C#CCN AT20732 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.3 C\C=C(/C)CCCC T72329 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 CCCCC[13C](=O)O 41454 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 COC\C=C\B(O)O A51279 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 O=C(O)COCCBr C70239 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 O=C(O)COCCF AT25496 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.46 C#CCCCCC(=O)OC AT21754 [0,1,0,0,0,0|0,0,3]=4 9 B9R0.46 COC(=O)CCOCCO C70644 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.46 COC(=O)CSCCCO AT19328 [0,1,0,0,0,0|1,0,1]=3 11 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.11 COC(=O)C1=CON=C1 F14140 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.11 COC(=O)C1=CSN=C1 F14219 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72443 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72717 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P17882 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N D72718 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N P18452 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.81 COC(=O)[C@H]1CN[C@@H]1C P18147 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO AT23910 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20219 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23908 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23909 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.88 COC(=O)[C@H]1C[C@H]1CO D73972 [0,0,0,1,0,0|1,0,2]=4 26 B6R0.4 CC(=O)CCCN C77428 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 N#C\C=C\C(=O)O AC9289 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.4 NC\C=C/C(=O)O AT20734 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 NC\C=C\C(=O)O AT20733 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [1,1,0,0,0,0|0,0,1]=3 32 B8R0.9 COC(=O)\C=C\C(C)C D77192 [1,1,0,0,0,0|0,0,0]=2 33 B8R0.19 COC(=O)CC(=O)CF AT24447 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.28 CC(C)\C=C\CC(C)C T70700 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.83 COC(=O)[C@@H](N)CCCCF AT15761 [0,2,0,0,0,0|0,0,2]=4 38 B10R0.83 COC(=O)[C@@H](N)CCCCF AT15765 [0,2,0,0,0,0|0,0,2]=4 39 B10R0.83 COC(=O)[C@@H](N)CCCCO AC3241 [0,2,0,0,0,0|0,0,2]=4 40 B10R0.74 C#CCCCCCC(=O)OC AT21753 [0,2,0,0,0,0|0,0,2]=4 41 B10R0.74 COC(=O)COCCCCO AT19930 [0,2,0,0,0,0|0,0,2]=4 42 B8R1.1 CCC1=NOC(Br)=C1 AT19746 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.1 CCC1=NOC(O)=C1 AT19691 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.3 CN1C=CC(=O)CC1 D73438 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.38 COC(=O)C1=CCC1 P16819 [1,0,0,1,0,0|0,0,0]=2 49 B8R1.40 COC(=O)C=C1CC1 AT21192 [1,0,0,1,0,0|0,0,0]=2 50 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [1,0,0,1,0,0|0,0,2]=4 52 B8R1.20 CC1CC1CC(=O)O E72880 [1,0,0,1,0,0|0,0,2]=4 53 B8R1.34 O=C(O)CN1CCC1 D96863 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.35 O=C(O)COC1CC1 AT13750 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [1,0,0,1,0,0|0,0,2]=4 56 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [1,0,0,1,0,0|0,0,2]=4 57 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [1,0,0,1,0,0|0,0,2]=4 58 B10R1.14 COC(=O)C1=CC[C@H](N)C1 AT12407 [0,1,0,1,0,0|0,0,0]=2 59 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C)N1 AT24196 [0,1,0,1,0,0|0,0,2]=4 60 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C)N1 AT24200 [0,1,0,1,0,0|0,0,2]=4 61 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)N1 AT24201 [0,1,0,1,0,0|0,0,2]=4 62 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)N1 AT24202 [0,1,0,1,0,0|0,0,2]=4 63 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)N1 D75937 [0,1,0,1,0,0|0,0,2]=4 64 B10R1.14 COC(=O)[C@@H]1C[C@@H](C)CN1 AT21808 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.14 COC(=O)[C@@H]1C[C@@H](C)CN1 AT21811 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.14 COC(=O)[C@@H]1C[C@H](C)CN1 AT21809 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.14 COC(=O)[C@@H]1C[C@H](C)CN1 AT21810 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CS1 AT21244 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 AT22315 [0,1,0,1,0,0|0,0,2]=4 70 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P19221 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.96 CCCC1=NC(OC)=CN1 E70175 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.96 CNCC1=CC(OC)=NO1 AT19588 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.96 COC1=NOC(CCN)=C1 AT19589 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.96 COC1=NOC(CCO)=C1 AT19593 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.96 COC1=NOC(CCS)=C1 AT19608 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.15 COC(=O)N1C=CCCC1 D77146 [0,1,0,1,0,0|0,0,0]=2 77 B10R1.15 COC(=O)[C@@H]1CCCNN1 50468 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.15 COC(=O)[C@@H]1CCCNN1 AT21728 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.184 COC(=O)[C@@H](O)CC1CC1 AT26813 [0,1,0,1,0,0|0,0,2]=4 80 B10R1.151 COC(=O)CCC1CNC1 AT26042 [0,1,0,1,0,0|0,0,2]=4 81 B10R1.151 COC(=O)COC1CNC1 AT23439 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.157 COC(=O)C[C@@H]1C[C@@H]1CO F51543 [0,1,0,1,0,0|0,0,2]=4 83 B10R1.131 CCCC1=NN(C)C(Cl)=C1 AT26251 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1O C14390 [0,1,0,1,0,0|0,0,2]=4 85 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23942 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23944 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23947 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.149 COC(=O)[C@H]1NCC[C@H]1F AT23945 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.149 COC(=O)[C@H]1NCC[C@H]1F AT23946 [0,1,0,1,0,0|1,0,1]=4 90 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P11674 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.175 COC(=O)C1CCC1CO W15653 [0,1,0,1,0,0|0,0,2]=4 92 B10R2.14 BrC1=CC(C2CC2)=NO1 AT19748 [0,0,0,2,0,0|2,0,0]=4