0 B7R0.9 C=C(C)CC(C)(C)C D92377 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.9 CC(C)(N)CC(=O)O 23715 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CC(C)(O)CC(=O)[O-] D90975 [0,0,0,0,0,0|1,1,2]=4 3 B7R0.9 CC(C)=CC(C)(C)C D92393 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.9 CC(C)O[Si](C)(C)C D95456 [0,0,0,0,0,0|3,1,0]=4 5 B6R0.2 C=C(C)CC(C)C D89820 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.2 CC(C)=CC(C)C T71140 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.2 CC(C)CC(C)C D89716 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.2 CC(C)C[C@H](C)N N12044 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 CC(C)C[C@H](C)O D97159 [1,0,0,0,0,0|0,0,0]=1 10 B6R0.2 CC(C)C[C@H](C)O D97160 [1,0,0,0,0,0|0,0,0]=1 11 B6R0.2 CC(C)SC(C)C D91094 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.5 C=CCC(C)(C)O F13463 [1,0,0,0,0,0|0,1,2]=4 13 B6R0.5 CC(C)(C)CCN F17089 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.5 CC(C)(C)CCN W10831 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.5 CC(C)(N)CCO AC5985 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.5 CCCC(C)(C)O D91458 [1,0,0,0,0,0|0,1,0]=2 17 B6R0.5 CCC[Si](C)(C)Cl D89889 [1,0,0,0,0,0|1,1,0]=3 18 B6R0.5 CCC[Si](C)(Cl)Cl D90409 [1,0,0,0,0,0|2,1,0]=4 19 B6R0.5 CCNC(C)(C)C D88712 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.5 CCOC(C)(C)C N11919 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.5 CCO[Si](C)(C)C W13860 [1,0,0,0,0,0|2,1,0]=4 22 B6R0.5 COC[Si](C)(C)C D91472 [1,0,0,0,0,0|2,1,0]=4 23 B8R0.24 C[N+](C)(C)C[C@H](O)CCl D76289 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.24 C[N+](C)(C)C[C@H](O)CCl D76290 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.27 CC(C)[C@H](C)C(C)(C)O D90064 [0,1,0,0,0,0|1,1,0]=3 26 B8R0.33 CC(C)(C)CC(C)(C)C D92505 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.33 CC(C)(C)CC(C)(C)N D92742 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.33 CC(C)(C)CC(C)(C)N D92743 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.33 CC(C)(C)SC(C)(C)C D88695 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.34 C=C(C)CC(C)(C)CC T72550 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.34 CC[C@](C)(O)CC(C)C D89963 [0,1,0,0,0,0|1,1,0]=3 32 B8R0.34 CN(C)CC(C)(C)C=O F20890 [0,1,0,0,0,0|2,1,0]=4 33 B8R0.34 CN(C)CC(C)(C)CO D89916 [0,1,0,0,0,0|2,1,0]=4 34 B8R1.51 CC1=NC(C)(C)CO1 D92443 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.51 C[C@@H]1CNC(C)(C)C1 83892 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.77 CC1(C)O[C@@H]1C(=O)O AC5964 [0,0,0,1,0,0|1,1,1]=4 37 B6R0.7 C=C(C)C(C)(C)C D92378 [0,0,0,0,1,0|2,0,1]=4 38 B6R0.7 CC(C)(Cl)C(Cl)Cl D92461 [0,0,0,0,1,0|3,0,0]=4 39 B6R0.7 CC(C)C(C)(C)C D92381 [0,0,0,0,1,0|2,0,0]=3 40 B6R0.7 C[C@H](Br)C(C)(Br)Br D92525 [0,0,0,0,1,0|3,0,0]=4 41 B6R0.7 C[C@H](N)C(C)(C)C 70840 [0,0,0,0,1,0|2,0,0]=3 42 B6R0.7 C[C@H](N)C(C)(C)C D83289 [0,0,0,0,1,0|2,0,0]=3 43 B6R0.7 C[C@H](N)C(C)(C)C N12137 [0,0,0,0,1,0|2,0,0]=3 44 B8R0.29 CC(C)CCC(C)(C)Cl D89422 [0,0,0,0,0,1|2,0,0]=3 45 B8R0.29 CC(C)CCC(C)(C)O D89960 [0,0,0,0,0,1|1,1,0]=3 46 B5R0.1 C#CCC(C)C D91298 [2,0,0,0,0,0|0,0,2]=4 47 B5R0.1 C#CC[C@H](C)O F16209 [2,0,0,0,0,0|0,0,2]=4 48 B5R0.1 CC#CC(C)C D91299 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.1 CC(C)CCCl D89213 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 CC(C)CCI D91070 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 CC(C)CCN D91075 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CC(C)CCS D91090 [2,0,0,0,0,0|0,1,0]=3 53 B5R0.1 CCC=C(C)C D91353 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.1 CCOC(C)C D90509 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CCSC(C)C D90463 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 CN(C)CCCl D88148 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CN(C)CCO A11060 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 COC[C@H](C)N 88101 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 COC[C@H](C)O E72455 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 C[C@H](O)CCN C80087 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 C\C=C\C(C)C D91327 [2,0,0,0,0,0|0,0,2]=4 62 B5R0.4 CCC(C)(C)C D89700 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.4 CCC(C)(C)Cl D89214 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.4 CCC(C)(C)[NH3+] D88364 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.4 CCC(C)(Cl)Cl D89782 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.4 CC[Si](C)(C)Cl D89600 [2,0,0,0,0,0|1,1,0]=4 67 B7R0.2 C#C[C@@H](O)CC(C)C D91415 [1,1,0,0,0,0|0,0,1]=3 68 B7R0.2 CC[C@H](C)CC(C)C D89783 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.2 C\C(CC(C)C)=N\O D91365 [1,1,0,0,0,0|0,0,1]=3 70 B7R0.16 CC(C)[C@H](Cl)C(=O)O C15445 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O 41398 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.8 CC(C)(C)OCCN AT12487 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.8 CC(C)(C)SCCN AT13945 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.8 CC(C)(C)SCCN D89178 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.8 CCCCC(C)(C)C D89814 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.8 CCNCC(C)(C)O F52547 [1,1,0,0,0,0|0,1,0]=3 77 B7R0.14 CC(C)(C)[C@@H](N)CO AT12980 [1,1,0,0,0,0|1,0,0]=3 78 B7R1.2 CC1=N[C@@H](C)CO1 81835 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.2 CC1CCC(C)O1 D89954 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.2 CC1CCC(O)C1 D76706 [1,0,0,1,0,0|0,0,0]=2 81 B7R1.12 CC1CC1C(=O)O 79585 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.32 CC1(C)CC1(C)C D92513 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.14 CC1(C)OCCO1 D89708 [1,0,0,1,0,0|1,1,0]=4 84 B9R1.10 CC1CCC(C)(C)CC1 T72861 [0,0,0,1,0,1|2,0,0]=4 85 B9R1.115 CC(C)(C)OC[C@H]1CO1 D88868 [0,0,0,1,0,1|1,0,0]=3 86 B9R1.223 CC1(C)SC(C)(C)C1=O H11479 [0,1,0,1,0,0|1,0,1]=4 87 B5R0.5 C=C(C)C(C)C D89792 [1,0,0,0,1,0|1,0,1]=4 88 B5R0.5 CC(=O)[C@H](C)O D93492 [1,0,0,0,1,0|0,1,1]=4 89 B5R0.5 CC(Cl)C(C)Cl D89633 [1,0,0,0,1,0|2,0,0]=4 90 B7R0.6 CC(Br)CCC(C)Br D90037 [1,0,0,0,0,1|2,0,0]=4 91 B7R0.6 CC(C)=CCC(C)C D89989 [1,0,0,0,0,1|1,0,1]=4 92 B7R0.6 CC(C)CCC(C)C D89815 [1,0,0,0,0,1|1,0,0]=3 93 B7R0.6 CC(C)CC[C@H](C)Br 31370 [1,0,0,0,0,1|1,0,0]=3 94 B7R0.6 CC(C)OCC(=O)O S10646 [1,0,0,0,0,1|1,0,1]=4