0 B7R0.9 CC(=O)CC(C)(C)C OR0844 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.9 CC(C)(C)CC(=O)O OR0494 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.9 CC(C)(C)NC(N)=S OR30207 [0,0,0,0,0,0|3,1,0]=4 3 B7R0.9 CC(C)(C)OC(N)=O OR55005 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.9 CC(C)(N)CC(=O)O OR01641 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.9 CS(=O)(=O)CC(=O)O OR45106 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(=O)CC(C)=O OR16430 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.2 CC(=O)CC(C)C OR61047 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.2 CC(C)=CC(=O)Cl OR29360 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 CC(C)=CC(=O)O OR46069 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.2 CC(C)=C[N+](=O)[O-] OR310840 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(C)CC(=O)O OR2260 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 CC(C)CC(N)=O OR22499 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.2 CN(C)CC(=O)O OR45130 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.5 C=CC[Si](C)(C)Cl OR55393 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.5 CC(C)(C)C[Mg]Cl OR320003 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.5 CC(C)(C)ON=O OR2337 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.5 C[N+](C)(C)CC=O OR2501 [1,0,0,0,0,0|0,0,0]=1 18 B6R0.5 C[P+](C)(C)CC#N OR310566 [1,0,0,0,0,0|1,1,1]=4 19 B6R0.5 C[Si](C)(C)CCO OR4827 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.24 C=CC(=O)OC(C)(C)C OR61301 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.24 CC(C)(C)NC(=O)CCl OR25511 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.24 CC(C)(C)OC(=O)CBr OR1584 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.24 CC(C)(C)OC(=O)CN OR315773 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.24 CC(C)(C)OC(=O)CN OR61270 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.24 CC(C)(C)OC(=O)CO OR932881 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.24 CC(C)(C)OC(=O)NN OR322134 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.24 CC(C)(C)OC(=O)NO OR322101 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.24 CNC(=O)OC(C)(C)C OR61100 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.27 CC(C)(C)C(=O)C(=O)O OR13657 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.27 CC(C)(C)[C@H](N)C(=O)O OR0572 [0,1,0,0,0,0|1,0,1]=3 31 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O OR18365 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.51 CC1(C)CNC(=O)C1 OR315573 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.51 CC1(O)CNC(=O)C1 OR21816 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.77 CC1(C)CC1C(N)=O OR22745 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.77 [C@H]1(C(N)=O)CC1(C)C OR9436 [0,0,0,1,0,0|2,0,0]=3 37 B6R0.7 CC(=O)C(C)(C)Br OR938435 [0,0,0,0,1,0|3,0,0]=4 38 B6R0.7 CC(=O)C(C)(C)C OR28613 [0,0,0,0,1,0|2,0,0]=3 39 B6R0.7 CC(C)(Br)C(N)=O OR59336 [0,0,0,0,1,0|3,0,0]=4 40 B6R0.7 CC(C)(C)C(=N)N OR27177 [0,0,0,0,1,0|3,0,0]=4 41 B6R0.7 CC(C)(C)C(=O)[O-] OR961732 [0,0,0,0,1,0|1,0,0]=2 42 B6R0.7 CC(C)(C)S(N)=O OR301075 [0,0,0,0,1,0|3,0,0]=4 43 B6R0.7 CC(C)(C)[S@@](N)=O OR3234 [0,0,0,0,1,0|3,0,0]=4 44 B6R0.7 CC(C)(C)[S@](N)=O OR3233 [0,0,0,0,1,0|3,0,0]=4 45 B6R0.7 CC(C)(O)C(=O)O OR4840 [0,0,0,0,1,0|2,0,1]=4 46 B8R0.29 CC(C)(C)CCC(=O)O OR318007 [0,0,0,0,0,1|1,0,1]=3 47 B8R0.29 CC(C)(C)OCC(=O)O OR0183 [0,0,0,0,0,1|1,0,1]=3 48 B5R0.1 CCCC(=O)O OR6005 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 CCCC(=O)[O-] OR8783 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 COCC(=O)Cl OR40393 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CSCC(=O)O OR4573 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.4 C=CC(C)(C)C OR28711 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.4 CC(C)(Br)C=O OR52528 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(C)C=O OR28610 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.4 CC(C)(C)CCl OR460072 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.4 CC(C)(C)CN OR938214 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.4 C[Si](C)(C)CCl OR3470 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.2 CCC(C)CC(=O)O OR5351 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.16 CC(C)[C@@H](N)C(=O)O OR5884 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.11 CC(C)(C#N)CC=O OR40004 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.11 C[N+](C)(CI)CCO OR55305 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.13 CC(C)(CCl)C(=O)Cl OR2036 [0,1,0,0,1,0|2,0,0]=4 66 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O OR61606 [0,1,0,0,0,1|1,0,1]=4 67 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C OR52327 [0,2,0,0,0,0|2,0,0]=4 68 B9R0.32 COC(C)(C)C(Br)C(=O)O OR01485 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.32 COC(C)(C)C(N)C(=O)O OR01481 [0,2,0,0,0,0|1,0,1]=4 70 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.20 O=C(O)CC1CC1 OR59893 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.19 CC1(C(=O)O)CC1 OR24738 [0,0,0,1,1,0|1,0,1]=4 74 B9R1.10 CC1(C)CCC(=O)CC1 OR18607 [0,0,0,1,0,1|2,0,0]=4 75 B9R1.164 CC1(C)CC(C(=O)O)C1 OR317125 [0,0,0,1,0,1|1,0,1]=4 76 B9R1.66 CC1(C)CC(=O)CCO1 OR480217 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.66 CC1(C)CCCC(=O)C1 OR315523 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.138 CC1(C)COC(=O)[C@@H]1O OR54449 [0,1,0,1,0,0|1,0,1]=4 79 B9R1.128 O=C(O)CC1(CS)CC1 OR3739 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.171 CC1(CC(=O)O)CCC1 OR306514 [0,1,0,1,0,0|1,0,1]=4 81 B9R2.143 O=C(O)C1CC12CC2 OR7102 [0,0,0,2,0,0|1,0,1]=4 82 B5R0.5 CC(=O)C(C)C OR5350 [1,0,0,0,1,0|2,0,0]=4 83 B5R0.5 CC(C)C(=O)Cl OR10005 [1,0,0,0,1,0|2,0,0]=4 84 B5R0.5 CN(C)C(=O)Cl OR51817 [1,0,0,0,1,0|1,0,1]=4 85 B5R0.5 CN(C)C(N)=O OR48247 [1,0,0,0,1,0|1,0,1]=4 86 B7R0.6 CC(C)CCC(=O)O OR40421 [1,0,0,0,0,1|1,0,1]=4 87 B7R0.6 CC(C)OCC(=O)O OR46564 [1,0,0,0,0,1|1,0,1]=4 88 B9R0.56 CC(=O)SCC[N+](C)(C)C OR27853 [0,0,0,0,0,2|1,0,0]=3 89 B9R0.56 CC(C)(C)OCCC(=O)O OR7832 [0,0,0,0,0,2|1,0,1]=4