0 B8R0.8 C=C(C)C(=O)NCCO OR17009 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 C=C(C)C(=O)OCCN OR61529 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C#CCNC(=O)CCl OR0726 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.3 C=CC(=O)NCCN OR55289 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 C=CCNC(=O)CCl OR2301 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CC\C(C)=C\CCBr OR3009 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.3 COC(=O)CCCN OR22446 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.5 CC(C)C(=O)CC#N OR61296 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 CCOC(=O)C(C)=O OR7781 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.5 CCOC(=O)C(C)Br OR2205 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.47 C=C(C)C(=O)NCCCN OR301178 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.5 NC1CCCCNC1=O OR28685 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.5 O=C1CCCCNC1=O OR52235 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.6 CC(C)C1COCCN1 OR308180 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.23 CN1CC(CO)CC1=O OR42168 [0,0,0,1,0,0|3,0,0]=4 16 B6R0.1 CCC(=O)CC#N OR61297 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.1 CCNC(=O)CBr OR40485 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.1 CCOC(=O)CN OR43634 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.1 CCOC(=O)CS OR17516 [2,0,0,0,0,0|1,1,0]=4 20 B6R0.1 CCOC(=O)NO OR9111 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.1 CNC(=O)CCN OR16480 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.1 CNC(=O)CCN OR51734 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.1 COC(=O)CCS OR28780 [2,0,0,0,0,0|1,1,0]=4 24 B6R0.1 OCC[C@@H](O)CO OR4602 [2,0,0,0,0,0|0,0,2]=4 25 B6R0.1 OCC[C@H](O)CO OR5242 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.4 CC(=O)CCCCl OR10086 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CC(=O)NCCCl OR55006 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.4 CCCCC(C)=O OR10020 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CCCC[C@H](C)O OR304042 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CCCOC(C)=O OR5312 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 NC(=O)NCCO OR17003 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 NCCCC(=O)O OR01972 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 O=C(O)CCCBr OR4284 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.6 CCCNCCC OR19539 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.6 OCCNCCO OR40730 [2,0,0,0,0,0|0,0,1]=3 36 B6R0.6 OCCOCCO OR59808 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.3 CC(C)C(=N)NO OR40109 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.3 CC(C)C(=O)CBr OR346253 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.3 CNC(=O)C(=O)O OR016302 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.3 COC(=O)C(C)Cl OR5107 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.3 COC(=O)C(C)N OR5299 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.3 COC(=O)[C@@H](C)N OR22616 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.3 COC(=O)[C@H](C)Cl OR322164 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.1 CCOC(=O)CCCBr OR14983 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.6 CCCCCC(=O)CC OR6025 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.6 COCCCC(=O)OC OR30755 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.14 CCOC(=O)C(C)(C)O OR46219 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.23 CC(C)OC(=O)[C@@H](C)N OR52564 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.23 CC(C)OC(=O)[C@H](C)N OR61429 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.28 CC(C)(C)OC(=O)CCCO OR313037 [0,1,0,0,0,1|2,0,0]=4 51 B10R0.28 CC(C)(C)OC(=O)NCCBr OR46552 [0,1,0,0,0,1|2,0,0]=4 52 B10R0.28 CC(C)(C)OC(=O)NCCCl OR18557 [0,1,0,0,0,1|2,0,0]=4 53 B10R0.28 CC(C)(C)OC(=O)NCCN OR1533 [0,1,0,0,0,1|2,0,0]=4 54 B10R0.28 CC(C)(C)OC(=O)NCCO OR70054 [0,1,0,0,0,1|1,0,0]=3 55 B8R1.1 C=CC1CCC(=O)N1 OR307048 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.1 NCC1CCC(=O)N1 OR953484 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.1 O=C1CC(CO)CN1 OR300508 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [1,0,0,1,0,0|0,0,0]=2 59 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [1,0,0,1,0,0|0,0,0]=2 61 B8R1.2 CCC1COCCN1 OR308179 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.2 CC[C@H]1COCCN1 OR61132 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.2 OCC1COCCN1 OR926444 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.2 OC[C@@H]1COCCN1 OR308127 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.2 OC[C@H]1COCCN1 OR308126 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.3 CC1CCC(=O)CC1 OR5041 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.3 NC1CCC(=O)CC1 OR301000 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.3 NC1CCC(=O)CC1 OR51872 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.3 O=C1CCC(=O)NC1 OR305436 [1,0,0,1,0,0|0,0,2]=4 70 B8R1.3 O=C1CCC(O)CC1 OR60149 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.3 O=C1CCC(O)CN1 OR313048 [1,0,0,1,0,0|0,0,0]=2 72 B8R1.5 CC1CCCNC1=O OR22899 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.22 O=C1CCCCCC1 OR6556 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.22 O=C1CCCCCN1 OR42190 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.22 O=C1CCCNCC1 OR4647 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.22 O=C1CCNCCN1 OR2299 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.22 O=C1CCNCCN1 OR9118 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.38 O=C(CBr)N1CCC1 OR460014 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.40 O=C(CCl)NC1CC1 OR21284 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.50 O=C1OC[C@@H](O)[C@H]1O OR55152 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 OR51787 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.4 C[C@H]1CNC[C@@H](C)O1 OR16456 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.4 C[C@H]1CNC[C@H](C)O1 OR51786 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.4 OC1CCCC(O)C1 OR17557 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.72 CC1(O)CCCNC1 OR308125 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.37 CCOC(=O)C1CC1 OR5300 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.119 C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O OR3600T [0,1,0,1,0,0|1,0,1]=4 88 B10R1.230 CC1(NO)CCCCC1=O OR0512 [0,1,0,1,0,0|2,0,0]=4