0 B12R1.16 CCOC(=O)C1=CN=C(O)C=N1 BB20-4231 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.16 CCOC(=O)C1=NNC(=O)C=C1 BB10-0120 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 BB12-1815 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.1 NCCOC1=CC=C(N)C=C1 BB53-1635 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB12-2749 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 N#CNC(=O)C1=CC=CC=C1 BB12-1130 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.22 COC(=O)C1=NNC(=O)C=C1 BB10-0119 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB12-2695 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 BB17-2382 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 BB12-2877 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.452 CCOC(=O)C1=CC=C(CCl)C=C1 BB12-2992 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.452 CCOC(=O)C1=CN=C(NN)C=C1 BB12-3542 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.466 CCOC(=O)C1=CC(Cl)=C(Br)C=C1 BB17-0876 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=C1 BB12-2179 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.1511 CCOC(=O)C1=CN=C(S)N=C1O BB20-4598 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.12 NC1=CC=C(C2=NCCN2)C=C1 BB17-2323 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.5179 NC1=NC2=C(C=N1)C(=O)CCC2 BB12-3855 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 BB56-2046 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.15 CCOC(=O)C1=CC(N)=NN1 BB55-4150 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 BB12-1472 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.15 CCOC(=O)C1=CSC(N)=N1 BB56-1326 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.15 CCOC(=O)C1=NNC(C)=C1 BB56-2143 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.15 CCOC(=O)C1=NOC(C)=C1 BB55-3966 [0,0,0,0,1,0|3,0,0]=4 33 B13R1.19 NCCC(=O)NC1=CC=C(Br)C=C1 BB53-1845 [0,0,0,0,0,1|3,0,0]=4 34 B13R1.19 NCCC(=O)NC1=CC=C(Cl)C=C1 BB53-1840 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [2,0,0,0,0,0|0,0,2]=4 42 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.1 COCCNC1=CC=C(N)C=C1 BB17-2677 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.71 CCCCC1=CC=C(NN)C=C1 BB56-0060 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 BB12-4373 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.308 CCOC(=O)C1=CN=CNC1=O BB10-0383 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.5 CCC(C)C1=CC=C(NN)C=C1 BB56-0337 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 BB12-3362 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 BB12-3364 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 BB12-2994 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.367 CC1=C(C)C=C(C(=O)CCl)C=C1 BB12-1806 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 BB17-0831 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=C1 BB12-4595 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 BB12-2254 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 BB17-0727 [1,1,0,0,0,0|0,0,0]=2 61 B12R1.1703 COC(=O)C1=C(C)N=C(N)N=C1 BB53-1398 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.18811 CCOC(=O)C1=C(N)NC(=O)C=C1O BB17-2896 [0,2,0,0,0,0|2,0,0]=4 63 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB26-0144 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.106 CCCC1=NC2=CC(N)=CC=C2N1 BB26-0785 [0,0,0,1,0,1|2,0,0]=4 65 B14R2.926 CC1=CC=C(N2CCCC2=O)C=C1 BB12-2825 [0,0,0,1,0,1|2,0,0]=4 66 B14R2.926 O=C1CCCN1C2=CC=C(Br)C=C2 BB12-2827 [0,0,0,1,0,1|2,0,0]=4 67 B14R2.926 O=C1CCCN1C2=CC=C(Cl)C=C2 BB12-2828 [0,0,0,1,0,1|2,0,0]=4 68 B14R2.20 CC1=NOC(C2=CC=C(N)C=C2)=N1 BB53-1851 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.11 CCOC(=O)C1=CNC=N1 BB01-7910 [1,0,0,0,1,0|2,0,0]=4 70 B10R1.11 CCOC(=O)C1=CNN=C1 BB12-1454 [1,0,0,0,1,0|2,0,0]=4 71 B10R1.14 COC(=O)C1=CC(N)=NN1 BB55-4201 [1,0,0,0,1,0|2,0,0]=4 72 B14R1.502 CCOC(=O)CNC1=CC=C(C)C=C1 BB12-2898 [0,0,0,0,0,2|1,0,0]=3 73 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 BB12-2773 [0,0,0,0,0,2|1,0,0]=3