0 B8R0.23 CC(C)OC(=O)[C@@H](C)N OR52564 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 CC(C)OC(=O)[C@H](C)N OR61429 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.2 CC(C)NC(=O)CCl OR25475 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.2 CC(C)NC(=O)CN OR8216 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CC(C)OC(=O)CBr OR55079 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CC(C=O)=CN(C)C OR24502 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 CCC(C)CC(C)C OR52416 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.2 CNC(=O)CC(C)=O OR54480 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 COC(=O)C=C(C)C OR7136 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.2 COC(=O)CC(C)=O OR54474 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 CCOC(=O)C(C)=O OR7781 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.5 CCOC(=O)C(C)Br OR2205 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 CCOC(=O)C(N)=S OR10873 [1,0,0,0,0,0|2,1,0]=4 17 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.6 CC(=O)C=CC(C)C OR27820 [1,0,0,0,0,0|0,0,1]=2 19 B7R0.6 CC(=O)CCC(C)=O OR8860 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.6 CC(C)CCC(=O)O OR40421 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.6 CC(C)OCC(=O)O OR46564 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.6 CC(C)\C=C/C(=O)O OR6364 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.10 CC(C)OC(=O)C(C)(C)Br OR28936 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.23 COC(=O)C(=O)CC(C)=O OR30191 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O OR61606 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.57 CC(C)(C)OC(=O)C(=O)Cl OR46086 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.57 CC(N)C(=O)OC(C)(C)C OR59980 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 OR61276 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 OR54386 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.69 CC1CN(C)CCC1=O OR22874 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.112 O=C(O)[C@H](O)CC1CC1 OR55546 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.164 CC1(C)CC(C(=O)O)C1 OR317125 [0,0,0,1,0,0|2,0,1]=4 33 B7R0.16 CC(C)C(=O)C(C)C OR42127 [0,0,0,0,1,0|1,0,1]=3 34 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [0,0,0,0,1,0|2,0,1]=4 35 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,0,0,0,1,0|1,0,2]=4 36 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,0,0,0,1,0|1,0,2]=4 37 B7R0.16 CN(C)C(=O)C(=O)O OR0185 [0,0,0,0,1,0|2,0,0]=3 38 B9R0.53 CC(=O)CC(=O)CC(C)C OR12800 [0,0,0,0,0,1|0,0,0]=1 39 B6R0.1 CCCC(C)C=O OR40018 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.1 CCOC(=O)C=O OR59968 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.1 CNC(=O)CCN OR16480 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CNC(=O)CCN OR51734 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 CNCC(=O)OC OR26803 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 COC(=O)CCS OR28780 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 COC(=O)CSC OR9387 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.2 CC(=O)CC(C)=O OR16430 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.2 CC(=O)CC(C)C OR61047 [2,0,0,0,0,0|0,0,0]=2 48 B6R0.2 CC(C)CC(=O)O OR2260 [2,0,0,0,0,0|0,0,1]=3 49 B6R0.2 CC(C)CC(N)=O OR22499 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.2 CN(C)CC(=O)O OR45130 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.4 CC(=O)CCCCl OR10086 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CC(=O)NCCCl OR55006 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CC(C)=CCCBr OR3008 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 CCC=CC(=O)O OR6566 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.4 CCCCC(C)=O OR10020 [2,0,0,0,0,0|0,0,1]=3 56 B6R0.4 CCCOC(C)=O OR5312 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 CO\C=C\C(C)=O OR52529 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.3 CC(=O)C(=O)CBr OR46042 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.3 CC=C(C)C(C)=O OR0641 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.3 CNC(=O)C(=O)O OR016302 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.3 COC(=O)C(=O)[O-] OR303344 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.3 O=C(O)C(=O)CBr OR10838 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.3 O=C(O)C(=O)CBr OR8799 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.5 CCOC(=O)C[C@H](C)O OR304080 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.5 CCOC(=O)C[S+](C)C OR5509 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.24 C=CC(=O)OC(C)(C)C OR61301 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.24 CNC(=O)OC(C)(C)C OR61100 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.3 C=C(CBr)C(=O)OCC OR17520 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.3 CCOC(=O)C(=O)CBr OR015293 [1,1,0,0,0,0|1,0,0]=3 70 B8R0.8 C=C(C)C(=O)NCCO OR17009 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.8 C=C(C)C(=O)OCCN OR61529 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.9 COC(=O)\C=C\C(C)C OR6465 [1,1,0,0,0,0|0,0,1]=3 73 B8R0.29 CC(C)(C)CCC(=O)O OR318007 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.27 CC(C)(C)C(=O)C(=O)O OR13657 [0,1,0,0,1,0|1,0,0]=3 75 B10R0.82 C=C(C)C(=O)OCC(O)CO OR52270 [0,1,0,0,0,1|2,0,0]=4 76 B10R0.31 CC(C)(C)OC(=O)CC(=O)O OR13710 [0,1,0,0,0,1|2,0,0]=4 77 B10R0.32 CCOC(=O)C(=O)CC(C)=O OR27077 [0,2,0,0,0,0|1,0,1]=4 78 B8R1.4 CC1CC(=O)CCO1 OR54543 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.4 CN1CCCC(=O)C1 OR55488 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.4 CN1CCCC(=O)C1 OR55582 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.51 CC1(C)CNC(=O)C1 OR315573 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.51 CC1(O)CNC(=O)C1 OR21816 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.5 O=C1CCCCC1=O OR0317 [1,0,0,1,0,0|0,0,0]=2 85 B8R1.3 CC1CCC(=O)CC1 OR5041 [1,0,0,1,0,0|0,0,1]=3 86 B8R1.3 CN1CCC(=O)CC1 OR0648 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.3 NC1CCC(=O)CC1 OR301000 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.3 NC1CCC(=O)CC1 OR51872 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.3 O=C1CCC(O)CC1 OR60149 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.3 O=C1CCC(O)CN1 OR313048 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.35 O=C(O)CCC1CC1 OR313064 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.77 CC1(C)CC1C(N)=O OR22745 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.77 [C@H]1(C(N)=O)CC1(C)C OR9436 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.50 CC1CCC(=O)C1=O OR28640 [0,0,0,1,1,0|0,0,0]=2 95 B8R1.50 CC1CCN(C)C1=O OR11733 [0,0,0,1,1,0|2,0,0]=4 96 B10R1.59 CC(=O)N1CC(C)=CC1=O OR21809 [0,0,0,1,0,1|0,0,2]=4 97 B10R1.329 CC1(C)CC(=O)CC(=O)C1 OR7890 [0,0,0,1,0,1|0,0,0]=2 98 B10R1.329 CC1(C)CC(=O)NC(=O)C1 OR30387 [0,0,0,1,0,1|0,0,0]=2 99 B10R1.329 CC1(C)CC(=O)OC(=O)C1 OR315223 [0,0,0,1,0,1|0,0,0]=2 100 B10R1.329 CC1(C)OC(=O)CC(=O)O1 OR30175 [0,0,0,1,0,1|2,0,0]=4 101 B10R1.329 CC1=CC(=O)OC(C)(C)O1 OR54478 [0,0,0,1,0,1|1,0,1]=4 102 B10R1.560 CC1(C)CC(=O)C(C)(C)O1 OR30411 [0,1,0,1,0,0|0,0,2]=4 103 B10R1.184 COC(=O)[C@H](O)CC1CC1 OR919615 [0,1,0,1,0,0|0,0,2]=4 104 B8R0.28 CC(=O)CCCN(C)C OR22887 [1,0,0,0,0,1|1,0,1]=4