0 B9R1.37 CC1=C(Br)C(N)=NN1C SBB033552 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.37 CC1=C(Cl)C(N)=NN1C SBB023973 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.37 CC1=C(N)C(N)=NN1C SBB073522 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.37 CC1=C(O)C(=O)C(C)O1 SBB058632 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.37 CC1=NN(C)C(C)=C1Br SBB047367 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.37 CC1=NN(C)C(C)=C1I SBB051462 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.37 CC1=NN(C)C(C)=C1N SBB006986 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.37 O=C1OC(=O)C(Cl)=C1Cl SBB050393 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.18 CC1=CC(Br)=NN1C SBB116193 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.18 CC1=CC(C)=NN1C SBB055828 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.18 CC1=CC(I)=NN1C SBB116210 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 CC1=CC(N)=NN1C SBB009548 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.50 CC1=C(Br)C=NN1C SBB019101 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.50 CC1=C(C)C(N)=NO1 SBB059728 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.50 CC1=C(Cl)C=NN1C SBB047362 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.50 CC1=C(I)C=NN1C SBB051458 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.50 CC1=C(N)C=NN1C SBB020193 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.50 CC1=NOC(C)=C1Br SBB003784 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.50 CC1=NOC(C)=C1I SBB054430 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.50 CC1=NOC(C)=C1N SBB005896 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.50 CC1=NOC(N)=C1Br SBB074393 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.50 CC1=NOC(N)=C1C SBB028192 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.50 O=C1COC(=O)C1Cl SBB059534 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.191 CC1=C(C)C(C)C(C)=C1C SBB085953 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.256 CC1=C(C)C(C#N)=C(N)O1 SBB055771 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.256 CC1=NN(C)C(C)=C1CO SBB023033 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.2 CCC(C)C(Br)C(=O)O SBB069132 [0,0,1,0,0,0|1,0,2]=4 30 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)O SBB037854 [0,0,1,0,0,0|1,0,2]=4 31 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [0,0,1,0,0,0|1,0,2]=4 32 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,0,1,0,0,0|0,0,2]=3 33 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,0,1,0,0,0|1,0,2]=4 34 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,0,1,0,0,0|1,0,2]=4 36 B8R0.3 CCOC(=O)\C(Cl)=N\O SBB009890 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.3 CCOC(=O)\C(N)=N/O SBB085806 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,0,1,0,0,0|1,0,2]=4 39 B8R1.25 O=C1C(=O)C(O)=C1O SBB007891 [0,0,0,0,1,0|2,0,1]=4 40 B10R1.22 CC1=CC(C)=C(N)C(=O)N1 SBB001607 [0,0,0,0,0,1|2,0,1]=4 41 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 SBB085943 [0,0,0,0,0,1|2,0,1]=4 42 B10R1.22 CC1=CC(C)=C(O)C(N)=C1 SBB000074 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.22 CC1=CC(O)=C(C)C(C)=C1 SBB043757 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.22 CC1=NC(N)=NC(O)=C1C SBB028143 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 SBB000073 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.118 CC1=CC(C)=C(C)C=C1O SBB044958 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.118 CC1OC(=O)C(C)OC1=O SBB007949 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.118 CC1OC(=O)C(C)OC1=O SBB008348 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.119 CC1=CC=C(N)C(O)=C1C SBB010269 [0,0,0,0,0,1|2,0,1]=4 50 B10R1.119 OC1=C(C)N(C)C=CC1=O SBB006753 [0,0,0,0,0,1|2,0,0]=3 51 B7R0.2 CC(C)OC(=O)CCl SBB040600 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.2 CC(C)OC(=O)CS SBB061230 [1,0,1,0,0,0|0,1,1]=4 53 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.2 CCC(C)CC(=O)O SBB008180 [1,0,1,0,0,0|0,0,2]=4 55 B7R0.5 C=C(C)C(=O)OCC SBB061402 [1,0,1,0,0,0|1,0,0]=3 56 B7R0.5 CC(NC=O)C(=O)O SBB047145 [1,0,1,0,0,0|2,0,0]=4 57 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,0,1,0,0,0|1,0,1]=4 58 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,0,1,0,0,0|1,0,1]=4 59 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.5 CCOC(=O)C(N)=S SBB056420 [1,0,1,0,0,0|1,1,0]=4 61 B7R0.5 CC\C=C(/C)C(=O)O SBB069108 [1,0,1,0,0,0|1,0,0]=3 62 B7R0.10 COC(=O)C(=O)OC SBB040902 [1,0,1,0,0,0|1,0,1]=4 63 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [1,0,1,0,0,0|0,0,2]=4 64 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [1,0,1,0,0,0|1,0,1]=4 65 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,0,1,0,0,0|0,0,2]=4 66 B7R0.7 CC#CC(=O)OCC SBB069554 [1,0,1,0,0,0|0,0,2]=4 67 B7R0.7 CCOC(=O)OCC SBB060086 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,0,1,0,0,0|0,0,0]=2 69 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,0,1,0,0,0|1,0,1]=4 70 B7R1.2 CC1=CC(=O)NO1 SBB055813 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.2 CC1=CC(C)=NO1 SBB042637 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.2 CC1=NOC(N)=C1 SBB006539 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.2 O=C1C=C(O)CO1 SBB056227 [2,0,0,0,0,0|1,0,0]=3 74 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [2,0,0,0,0,0|1,0,1]=4 75 B7R1.2 O=C1COC(=O)C1 SBB008561 [2,0,0,0,0,0|1,0,1]=4 76 B7R1.4 CC1=CC=NN1C SBB020344 [2,0,0,0,0,0|2,0,0]=4 77 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [0,1,1,0,0,0|0,0,2]=4 78 B9R0.37 CCOC(=O)\C(C#N)=N\O SBB007937 [0,1,1,0,0,0|1,0,1]=4 79 B9R1.23 C(=O)C1=CC(C)=C(C)S1 SBB005570 [1,1,0,0,0,0|0,1,1]=4 80 B9R1.23 CC1=CC(C=O)=NN1C SBB021202 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.38 C=C1OC(=O)OC1(C)C SBB001554 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.132 CC1=C(C)C(CO)=CS1 SBB017430 [1,1,0,0,0,0|0,1,1]=4 83 B9R1.132 CC1=C(CO)C=NN1C SBB019663 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.138 CC1(C)COC(=O)C1O SBB055782 [1,1,0,0,0,0|0,0,2]=4 85 B9R1.138 CC1(C)COC(=O)[C@@H]1O SBB017517 [1,1,0,0,0,0|0,0,2]=4 86 B11R1.8 CC1=CC(C=O)=C(O)C(C)=C1 SBB010321 [0,1,0,0,0,1|1,0,1]=4 87 B9R1.41 CC1=C(C(=O)O)OC=C1 SBB004257 [0,0,1,1,0,0|0,0,2]=4 88 B9R1.41 CC1=C(C(=O)O)OC=N1 SBB053169 [0,0,1,1,0,0|1,0,1]=4 89 B9R1.41 CC1=C(C(=O)O)ON=C1 SBB053162 [0,0,1,1,0,0|1,0,1]=4 90 B9R1.34 CC1=CC(=O)C=C(C)O1 SBB056217 [1,0,0,0,0,1|1,0,1]=4 91 B9R1.34 CC1=CC(=O)OC(C)=C1 SBB059425 [1,0,0,0,0,1|0,0,1]=3 92 B9R1.34 CC1=CC(O)=CC(=O)O1 SBB001910 [1,0,0,0,0,1|0,0,1]=3 93 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [1,0,0,0,0,1|0,0,2]=4