0 B7R0.18 CC(C=O)(CO)CO SY265867 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.18 CC(CO)(CO)CO SY004547 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.18 CCC(N)(CO)CO SY036815 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.18 NC(CO)(CO)CO SY001400 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.8 C#CC(C)(N)CC SY027300 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.8 CC(C)(C#N)CO SY045527 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.8 CC(C)(C=O)CO SY107563 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.8 CC(C)(CBr)CBr SY038454 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.8 CC(C)(CN)CF SY276712 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.8 CC(C)(CO)CBr SY039504 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.8 CC(O)(CO)CO SY224166 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.8 CCC(C)(N)C#N SY026944 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.8 CNC(C)(C)CO SY033902 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.8 COC(C)(C)CO SY162215 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.8 NCC(F)(F)CO SY031111 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.8 OCC(F)(F)CO SY026989 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.9 OCC(CO)CO SY026482 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.10 NCC(CN)(CN)CN SY247912 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.36 CC(CO)(CO)C(=O)O SY004305 [0,1,0,0,0,0|1,0,1]=3 19 B8R1.52 CC1(CN)CCOC1 SY042173 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.52 CC1(CO)CCNC1 SY072280 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.52 CC1(CO)CCOC1 SY149881 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.52 N#CC1(N)CCOC1 SY041084 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.52 N#CC1(N)CCOC1 SY048135 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.52 NC1(CO)CCCC1 SY002988 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.52 NC1(CO)CCNC1 SY036023 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.60 BrCC1(CBr)COC1 SY027565 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.60 CCC1(CO)COC1 SY052629 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.60 ClCC1(CCl)COC1 SY027139 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.60 NCC1(CO)CCC1 SY041987 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.60 OCC1(CBr)COC1 SY042004 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.60 OCC1(CO)CCC1 SY096960 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.60 OCC1(CO)CNC1 SY027929 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.60 OCC1(CO)COC1 SY042207 [0,0,0,1,0,0|1,0,0]=2 34 B5R0.3 C=C(CO)CO SY009429 [2,0,0,0,0,0|0,0,2]=4 35 B5R0.3 C=CC(O)CO SY275096 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.3 C=C[C@@H](N)CO SY211186 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.3 C=C[C@H](N)CO SY101322 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.3 CC(CBr)CBr SY038831 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 CC(CI)CI SY248411 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 CC[C@@H](N)CO SY049464 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.3 CC[C@H](N)CF SY045883 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 CNC(C)CO SY082195 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 NCC(F)CO SY260924 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 NCC(O)CN SY013661 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 NC[C@@H](O)CO SY008127 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.3 NC[C@H](O)CBr SY294054 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 NC[C@H](O)CCl SY060396 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 O=C(CO)CO SY038299 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.3 OC(CBr)CBr SY012889 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.4 CC(C)(C)CCl SY048171 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.4 CC(C)(C)NO SY036171 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.4 CC(C)(F)CBr SY027377 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.4 CC(C)(F)CI SY028245 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(F)CO SY029466 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.4 CC(C)(N)C#N SY046540 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.4 CC(C)(O)CBr SY236333 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.4 CC(C)(O)CN SY022204 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.4 CC(C)(O)CO SY107922 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.4 CC(F)(F)CO SY029658 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.13 CC(C)(CO)C(=O)O SY017233 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.13 CC(N)(CO)C(=O)O SY047210 [1,1,0,0,0,0|0,0,1]=3 62 B7R0.13 CC[C@@](C)(N)C(=O)O SY074815 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.13 C[C@@](N)(CO)C(=O)O SY047311 [1,1,0,0,0,0|0,0,1]=3 64 B7R0.13 C[C@](N)(CO)C(=O)O SY047312 [1,1,0,0,0,0|0,0,1]=3 65 B7R0.12 NCCC(CO)CO SY309273 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.78 CC(C)C(CO)(CO)CO SY250003 [0,2,0,0,0,0|1,0,0]=3 67 B9R0.78 O=[N+]([O-])C(CO)(CO)CO SY062183 [0,2,0,0,0,0|0,0,1]=3 68 B7R1.25 CC1(CBr)COC1 SY008845 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.25 CC1(CI)COC1 SY041717 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.25 CC1(CN)COC1 SY008846 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.25 CC1(CO)CNC1 SY037707 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.25 CC1(CO)COC1 SY004123 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.25 FC1(CBr)COC1 SY111193 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.25 NC1(CO)CCC1 SY098454 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.25 NC1(CO)CCC1 SY140856 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.25 NC1(CO)COC1 SY047678 [1,0,0,1,0,0|0,0,0]=2 77 B7R1.25 NCC1(F)COC1 SY045010 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.25 NCC1(O)COC1 SY097214 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.25 OCC1(F)CNC1 SY198808 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.25 OCC1(F)COC1 SY098627 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.29 NCC1(CO)CC1 SY030738 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.29 OCC1(CO)CC1 SY002066 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.1 BrCC1CCOC1 SY042030 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 NCC1CCOC1 SY042027 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.1 OCC1CC=CC1 SY019811 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 OCC1CCCC1 SY006011 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.1 OCC1CCNC1 SY018506 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.1 OCC1CCNC1 SY021497 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.1 OCC1CCOC1 SY030918 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.1 OC[C@@H]1CCNC1 SY008238 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.1 OC[C@H]1CCNC1 SY008227 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.118 CC1(CO)CCOCC1 SY022800 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.118 NC1(CO)CCCCC1 SY295098 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.118 NC1(CO)CCOCC1 SY016245 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.118 NC1(CO)CCSCC1 SY016240 [0,1,0,1,0,0|1,1,0]=4 96 B9R1.119 O=C(O)C1(CO)COC1 SY014729 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.163 NC1(C(=O)O)CCOC1 SY039342 [0,1,0,1,0,0|1,0,1]=4