0 B7R0.18 C#CC(N)(CC)CC OR310413 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.8 CC(C)(CN)CN OR4925 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.8 CNC(C)(C)CO OR301186 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.9 CCC(CC)CBr OR59423 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.9 CCC(CC)CN OR2434 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.10 OCC(CBr)(CBr)CBr OR17253 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.10 OCC(CO)(CO)CBr OR27915 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.36 CC(CO)(CO)C(=O)O OR9441 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.36 CCC(N)(CC)C(=O)O OR52678 [0,1,0,0,0,0|2,0,1]=4 9 B8R1.52 N#CC1(N)CCOC1 OR471596 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.60 BrCC1(CBr)COC1 OR301352 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.60 CCC1(CO)COC1 OR317261 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.60 NCC1(CO)COC1 OR11732 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.60 OCC1(CBr)COC1 OR11736 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.60 OCC1(CO)CCC1 OR312194 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.60 OCC1(CO)COC1 OR309049 [0,0,0,1,0,0|1,0,0]=2 16 B5R0.3 C=C(CO)CO OR54371 [2,0,0,0,0,0|0,0,2]=4 17 B5R0.3 CCC(C)CN OR28802 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.3 CCC(N)CC OR10080 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.3 CCC(N)CO OR16670 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.3 CCC(O)CC OR10042 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.3 CCC(O)CN OR1554 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.3 CC[C@@H](N)CO OR5871 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.3 CC[C@@H](O)CO OR52088 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.3 CC[C@H](N)CO OR5854 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.3 CN[C@@H](C)CO OR55461 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.3 CN[C@H](C)CO OR55460 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.3 NC(CO)CO OR5368 [2,0,0,0,0,0|0,0,0]=2 28 B5R0.3 NCC(O)CN OR1859 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 NCC(O)CO OR10134 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.3 NC[C@H](O)CO OR42150 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.3 OC(CBr)CBr OR1061 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 OC(CCl)CCl OR61346 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 OCC(Br)CBr OR4897 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 OCC(O)CBr OR3095 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.3 OCC(O)CS OR61438 [2,0,0,0,0,0|0,1,0]=3 36 B5R0.4 C#CC(C)(C)N OR16455 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.4 CC(C)(C)CCl OR460072 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.4 CC(C)(C)CN OR938214 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.4 CC(C)(C)NO OR24575 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.4 CC(C)(C)NO OR45111 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.4 CC(C)(Cl)CCl OR16427 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.4 CC(C)(N)C#N OR315172 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.4 CC(C)(N)CN OR30693 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.4 CC(C)(N)CO OR1740T [2,0,0,0,0,0|0,0,0]=2 45 B5R0.4 CC(C)(O)CCl OR4348 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.4 CC(C)(O)CN OR301207 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.4 CC(C)(O)CO OR310412 [2,0,0,0,0,0|1,0,0]=3 48 B9R0.78 CCC(CO)(CO)C(=O)O OR9442 [0,2,0,0,0,0|1,0,1]=4 49 B7R1.14 CC1(N)CCCC1 OR52580 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.25 CC1(CBr)COC1 OR309052 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.25 CC1(CO)CCO1 OR309085 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.25 CC1(CO)CSC1 OR312064 [1,0,0,1,0,0|1,1,0]=4 53 B7R1.25 NC1(CO)CCC1 OR317075 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.25 NC1(CO)COC1 OR309090 [1,0,0,1,0,0|0,0,0]=2 55 B7R1.25 OCC1(O)CCC1 OR54527 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.25 OCC1(O)CNC1 OR306501 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.29 NCC1(CO)CC1 OR315352 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.29 OCC1(CO)CC1 OR6432 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.1 NCC1CCOC1 OR17201 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 OCC1CCCC1 OR46003 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 OCC1CCNC1 OR309156 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 OCC1CCOC1 OR322139 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.1 OC[C@@H]1CCNC1 OR309158 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.1 OC[C@H]1CCNC1 OR309159 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.118 NC1(CO)CCCCC1 OR61050 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.175 NCC1(CCO)COC1 OR312019 [0,1,0,1,0,0|2,0,0]=4