0 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(C)CB(O)O N40449 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.9 CS(=O)(=O)CC(=O)O M37911 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 CC(=O)NC(C)C P40402 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.2 CN(C)CC(=O)Cl D40251 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.2 CN(C)CC(N)=S D69472 [1,0,0,0,0,0|1,1,1]=4 9 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.5 C=CCC(C)(C)O M8263 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.5 C=CO[Si](C)(C)C V40439 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.5 CC(C)(C)CCBr B41571 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.5 CCC[N+](C)(C)C T43586 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.5 C[N+](C)(C)CCO H63396 [1,0,0,0,0,0|0,0,2]=3 20 B6R0.5 C[Si](C)(C)\C=C\I K60897 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.24 C#CC(=O)OC(C)(C)C B43714 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.24 CC(C)(C)OC(=O)CI B41529 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.24 CC(C)(C)OC(=O)CN A38454 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.24 CC(C)(C)OC(=O)NN B12512 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.24 CC(C)(C)OC(=O)NO H32224 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.24 CNC(=O)OC(C)(C)C B2974 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.24 C[N+](C)(C)C[C@@H](O)CCl C63901 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.24 C[N+](C)(C)C[C@H](O)CCl C60647 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.24 C[N+](C)(C)C[C@H](O)CCl C63900 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,1,0,0,0,0|1,0,1]=3 42 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,0|2,0,0]=3 49 B6R0.7 CC(C)(Br)C(N)=O B38472 [0,0,0,0,1,0|3,0,0]=4 50 B6R0.7 CC(C)(C)C(=N)N P41342 [0,0,0,0,1,0|3,0,0]=4 51 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,0,0,0,1,0|1,0,0]=2 52 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,0,0,0,1,0|1,0,0]=2 53 B6R0.7 CC(C)(C)C(N)=O T40403 [0,0,0,0,1,0|2,0,0]=3 54 B6R0.7 CC(C)(C)C(N)=S D40417 [0,0,0,0,1,0|2,1,0]=4 55 B6R0.7 CC(C)(C)[S@@](N)=O B8185 [0,0,0,0,1,0|3,0,0]=4 56 B6R0.7 CC(C)(C)[S@@](N)=O M29758 [0,0,0,0,1,0|3,0,0]=4 57 B6R0.7 CC(C)(F)C(=O)O F60900 [0,0,0,0,1,0|2,0,1]=4 58 B6R0.7 CC(C)(O)C(N)=O H40266 [0,0,0,0,1,0|3,0,0]=4 59 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,0,0,0,0,1|1,0,1]=3 60 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,0,0,0,0,1|1,0,1]=3 61 B8R0.29 C[Si](C)(C)C#CC(=O)O T41467 [0,0,0,0,0,1|1,0,2]=4 62 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|0,0,1]=3 63 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.4 C=C[Si](C)(C)C E25225 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.4 CC(C)(C)CN D41344 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.4 CC(C)(C)C[Mg+] D31702 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 C[Si](C)(C)CI K39963 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.8 C[N+](C)(C)CCCBr B68260 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.8 C[Si](C)(C)C#CC=O T41483 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,1,0,0,1,0|1,0,1]=4 80 B7R0.13 CC(C)(CN)C(N)=O A12146 [0,1,0,0,1,0|2,0,0]=4 81 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,1,0,0,1,0|1,0,1]=4 82 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,1,0,0,0,1|1,0,1]=4 83 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C L66830 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C M38468 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.25 COC(=O)[C@H](N)C(C)(C)C M66640 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,2,0,0,0,0|1,0,1]=4 87 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.17 CC1(C)CCC1=O D60316 [0,0,0,1,1,0|2,0,0]=4 95 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,0,0,1,1,0|2,0,0]=4 96 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,0,1,1,0|1,0,1]=4 97 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,0,0,1,1,0|2,0,0]=4 98 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,0,0,1,0,1|2,0,0]=4 99 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,0,0,1,0,1|2,0,0]=4 100 B9R1.51 CC(C)(C)C1CC(=O)C1 B60480 [0,0,0,1,0,1|2,0,0]=4 101 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,0,0,1,0,1|1,0,1]=4 102 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 H31897 [0,0,0,1,0,1|2,0,0]=4 103 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A11157 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.111 CC1([C@H](N)C(=O)O)CC1 A30010 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.128 O=C(O)CC1(CS)CC1 M62742 [0,1,0,1,0,0|1,0,1]=4 111 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|1,0,1]=4 112 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|1,0,1]=4 113 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,0,0,0,1,0|2,0,0]=4 114 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,1,0|2,0,0]=4 115 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,0,0,1,0|2,0,0]=4 116 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,1,0|2,0,0]=4 117 B7R0.6 CN(C)CCC(=O)O D41335 [1,0,0,0,0,1|0,0,2]=4 118 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,0,0,0,0,2|1,0,0]=3