0 B12R1.121 COC1=CC=CC=C1OCCN BB01-4690 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.17 C(=O)NCC1=CC=CC=C1C BB20-0165 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.41 CCC1=CC=CC=C1N=C=O BB01-6521 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.41 CCC1=CC=CC=C1N=S=O BB58-0232 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.41 CNCC1=C(OC)C=CC=C1 BB58-0562 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.41 COC1=C(CC#N)C=CC=C1 BB57-4962 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.41 COC1=C(CNN)C=CC=C1 BB57-2293 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.41 COC1=CC=CC=C1N=C=O BB01-4427 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.90 COC1=C(CCC(=O)Cl)C=CC=C1 BB20-1578 [0,1,0,0,0,0|0,0,2]=3 9 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 BB01-5985 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.90 COC1=C(\C=C\[N+](=O)[O-])C=CC=C1 BB57-4112 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.90 COC1=CC=CC=C1CCC(=O)O BB57-0222 [0,1,0,0,0,0|0,0,2]=3 12 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)Cl BB55-6101 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O BB01-2918 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.91 COC1=C(NC(=O)CBr)C=CC=C1 BB55-5012 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.91 COC1=CC=CC=C1CC(=O)NN BB01-5049 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.91 COC1=CC=CC=C1NC(=O)CCl BB01-5150 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.464 COC1=CC=CC=C1C(=O)CC#N BB58-0854 [0,1,0,0,0,0|1,0,2]=4 18 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB17-0559 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 BB58-0123 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 BB58-5185 [0,0,0,1,0,0|1,0,0]=2 21 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 BB01-2473 [0,0,0,1,0,0|1,1,0]=3 22 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 BB58-1337 [0,0,0,1,0,0|1,0,2]=4 23 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 BB57-6214 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BB57-7194 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 BB01-5679 [0,0,0,1,0,0|0,0,0]=1 26 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 BB01-5977 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.573 COC1=C2CCC(=O)C2=CC=C1 BB58-4372 [0,0,0,1,0,0|0,0,2]=3 29 B13R2.1613 NCC1=CC=CC2=CC=CC=C21 BB57-6655 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.4 C=CCC1=C(O)C=CC=C1 BB01-3409 [2,0,0,0,0,0|0,0,1]=3 31 B10R1.4 CC1=CC=CC=C1N=C=O BB01-6514 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.4 CC1=CC=CC=C1N=S=O BB58-0234 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.4 O\N=C\C1=CC=CC=C1O BB01-2228 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.17 O=CNCC1=CC=CC=C1 BB20-1135 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 OC\C=C\C1=CC=CC=C1 BB01-5912 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.20 N#CC1=C(C=O)C=CC=C1 BB57-2099 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 BB58-4631 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BB55-6108 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BB55-6106 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl BB55-6085 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BB55-6103 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BB01-2229 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br BB55-6081 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BB01-2911 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O BB57-6763 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 BB01-6504 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.169 CCOC1=CC=CC=C1N=C=O BB01-4423 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.268 COC1=CC=C(C)C=C1N=C=O BB01-6526 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.268 COC1=CC=C(Cl)C=C1N=C=O BB01-6509 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.863 COC(=O)\C=C\C1=C(OC)C=CC=C1 BB58-5126 [0,2,0,0,0,0|0,0,0]=2 51 B14R1.863 COC1=C(CCC(=O)NN)C=CC=C1 BB01-5061 [0,2,0,0,0,0|0,0,2]=4 52 B14R1.863 COC1=C(OCC(=O)NN)C=CC=C1 BB01-5698 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.482 CCOC1=CC=CC=C1\C=C\C(=O)O BB01-2912 [0,2,0,0,0,0|0,0,0]=2 54 B14R1.840 COC1=CC=CC=C1C(N)CC(=O)O BB01-4659 [0,2,0,0,0,0|0,0,2]=4 55 B14R1.1865 COC1=C(\C=C\C(=O)O)C=C(Br)C=C1 BB01-3304 [0,2,0,0,0,0|0,0,0]=2 56 B14R1.3135 CCC1=C(NC(=O)C(=O)O)C=CC=C1 BB55-4708 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.3135 COC1=C(OC(C)C(=O)O)C=CC=C1 BB53-1756 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.3135 COC1=CC=CC=C1OC(C)C(=O)O BB05-0768 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.4522 O=C(Cl)\C=C\C1=CC=CC=C1[N+](=O)[O-] BB55-6107 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.4522 O=C(O)\C=C\C1=CC=CC=C1[N+](=O)[O-] BB55-6082 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 BB01-6047 [0,0,1,1,0,0|1,0,1]=4 62 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 BB57-6789 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BB01-7793 [1,0,0,1,0,0|0,0,0]=2 64 B12R2.24 OC1=CC=C2C=CC=CC2=N1 BB17-2144 [1,0,0,1,0,0|1,0,1]=4 65 B12R2.32 N#CC1=CC2=CC=CC=C2O1 BB58-4707 [1,0,0,1,0,0|1,0,1]=4 66 B12R2.32 O=CC1=CC2=CC=CC=C2S1 BB58-0480 [1,0,0,1,0,0|0,1,0]=3 67 B12R2.32 O=CC1=NC2=CC=CC=C2S1 BB55-8341 [1,0,0,1,0,0|1,1,0]=4 68 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 BB57-3406 [1,0,0,1,0,0|1,0,0]=3 69 B14R2.1060 CC1=C(C=O)NC2=CC=C(Cl)C=C21 BB55-6974 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.1060 CC1=C(C=O)NC2=CC=C(F)C=C21 BB57-1246 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O BB01-7786 [0,1,0,1,0,0|0,0,1]=3 72 B14R2.92 O=CC1CCC2=CC=CC=C2C1=O BB01-4930 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BB55-0070 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 BB01-2131 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.450 NC(=O)C1=CC2=CC=CC=C2N1C BB01-3059 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 BB01-4055 [0,1,0,1,0,0|1,0,1]=4 77 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 BB01-4612 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 BB57-6090 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.7724 CN1C(=O)C=C(O)C2=CC=CC=C21 BB01-2665 [0,1,0,1,0,0|1,0,0]=3 80 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 BB01-2253 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 BB01-5681 [0,1,0,1,0,0|1,0,1]=4 82 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1O BB17-2379 [0,1,0,1,0,0|1,0,1]=4 83 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(O)=C2 BB58-5084 [0,1,0,1,0,0|1,0,0]=3 84 B14R2.31359 CC(N)C1=CC=CC2=C1C=CC=C2 BB55-1647 [0,1,0,1,0,0|2,0,0]=4