0 B12R1.121 COC1=CC=CC=C1OCCN BB05-3184 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.41 COC1=C(\C=N\O)C=CC=C1 BB20-3227 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.41 COC1=CC=CC=C1N=C=S BB54-2696 [1,0,0,0,0,0|1,1,1]=4 3 B13R1.90 CCC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1346 [0,1,0,0,0,0|1,0,0]=2 4 B13R1.91 COC1=C(C\C(N)=N\O)C=CC=C1 BB01-3929 [0,1,0,0,0,0|1,0,2]=4 5 B13R1.572 O=C\C=C\C1=C([N+](=O)[O-])C=CC=C1 BB17-1314 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.32 NC1=C2C=CC=CC2=CC=C1O BB54-1922 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.32 O=C1C=CC2=C(C=CC=C2)N1O BB58-1194 [0,0,0,1,0,0|2,0,0]=3 8 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BB12-5003 [0,0,0,1,0,0|2,0,1]=4 9 B13R2.33 O=C1COC2=CC=CC=C2CN1 BB57-5539 [0,0,0,1,0,0|1,0,1]=3 10 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 BB05-3029 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.45 CN1C(C=O)=CC2=CC=CC=C21 BB12-2226 [0,0,0,1,0,0|1,0,0]=2 12 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 BB01-2135 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.57 NNC1=NC2=CC=CC=C2OC1 BB10-0593 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 BB05-3503 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 BB54-4676 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BB05-0129 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 BB55-0044 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.1613 ClCC1=CC=CC2=CC=CC=C21 BB20-3535 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.1613 N#CC1=C2C=CC=NC2=CC=C1 BB56-0659 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.1613 NCC1=C2C=CC=NC2=CC=C1 BB01-0070 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.1613 NNC1=CC=CC2=C1C=CC=N2 BB54-1950 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 BB05-4690 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.1613 OCC1=C2C=CC=NC2=CC=C1 BB55-7550 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.20 COC1=CC=CC=C1NN BB01-6123 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.20 COC1=CC=CC=C1NN BB56-0061 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.20 [C-]#[N+]C1=CC=CC=C1OC BB56-1195 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.125 CC(=O)C#CC1=CC=CC=C1C BB58-2899 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BB55-5582 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 BB01-7475 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 BB20-1618 [1,1,0,0,0,0|0,0,1]=3 35 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 BB12-5051 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 BB54-5278 [1,1,0,0,0,0|0,0,2]=4 37 B14R1.1600 COC1=C(OCC(N)=O)C=CC(N)=C1 BB54-2620 [0,2,0,0,0,0|1,0,1]=4 38 B14R1.96 COC1=C(CCCC(=O)O)C=CC=C1 BB32-2124 [0,2,0,0,0,0|0,0,2]=4 39 B14R1.96 COC1=C(CCNC(C)=O)C=CC=C1 BB20-4656 [0,2,0,0,0,0|0,0,2]=4 40 B14R1.863 COC1=CC=CC=C1NCC(=O)NN BB12-3079 [0,2,0,0,0,0|1,0,1]=4 41 B14R1.965 COC1=C(NC(=O)\C=N\O)C=CC=C1 BB12-1533 [0,2,0,0,0,0|1,0,1]=4 42 B14R1.1865 COC1=C(\C=C\C(=O)O)C=C(Cl)C=C1 BB12-4676 [0,2,0,0,0,0|0,0,0]=2 43 B12R1.435 CNC(=O)C1=CC=CC(C=O)=C1 BB17-2997 [0,0,1,1,0,0|2,0,0]=4 44 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,1,0,0|1,0,1]=4 45 B12R2.24 O=C1C=CC2=C(C=NC=C2)N1 BB32-2378 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.24 O=C1C=CC2=CN=CC=C2N1 BB57-7205 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.24 O=C1C=NC2=CC=CC=C2N1 BB57-5371 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.32 NCC1=CC2=CC=CC=C2O1 BB57-5865 [1,0,0,1,0,0|1,0,1]=4 49 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB55-6325 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 BB56-0626 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.1081 OC1=CC=NC2=CC=CC=C12 BB01-2824 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.1 O=CC1=COC2=CC=CC=C12 BB57-2315 [1,0,0,1,0,0|0,0,1]=3 53 B12R2.1 O\N=C1/COC2=CC=CC=C21 BB12-2095 [1,0,0,1,0,0|1,0,1]=4 54 B12R2.315 COC1=CC=CC2=C1C=CN2 BB01-7869 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.98 CCC1=C(N2C=CC=C2)C=CC=C1 BB56-0750 [0,1,0,1,0,0|2,0,0]=4 56 B14R2.98 COC1=CC=CC=C1C2=CSC=N2 BB56-0511 [0,1,0,1,0,0|1,0,0]=3 57 B14R2.1078 COC1=C2N=CC=C(N)C2=CC=C1 BB54-3975 [0,1,0,1,0,0|1,0,0]=3 58 B14R2.1078 COC1=C2NC=CC(=O)C2=CC=C1 BB54-4836 [0,1,0,1,0,0|0,0,0]=2 59 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 BB54-5305 [0,1,0,1,0,0|1,0,1]=4 60 B14R2.2 CC(=O)\C=C1/OCC2=C1C=CC=C2 BB57-2463 [0,1,0,1,0,0|2,0,0]=4 61 B14R2.450 CC1=C(C(=O)Cl)OC2=C1C=CC=C2 BB55-5189 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 BB57-0315 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.450 CC1=C(C(N)=O)NC2=CC=CC=C21 BB55-7786 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 BB57-6420 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O BB55-8698 [0,1,0,1,0,0|1,0,0]=3 66 B14R2.11684 COC1=CC=CC2=C1N=C(Cl)C=C2 BB57-3405 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.11684 COC1=CC=CC2=C1NC(=O)C=C2 BB58-1215 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.11684 COC1=CC=CC2=CC=C(C)N=C21 BB58-1193 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.7150 CNCC1=C2C=CC=NC2=CC=C1 BB55-6173 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.7150 CNCC1=C2C=CC=NC2=CC=C1 BB56-1131 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 BB54-4444 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.1128 CC1=NC2=CC=CC=C2N=C1C=O BB57-1068 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.134 N#CC1=CC2=C(C=CC(Cl)=C2)OC1 BB32-3168 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.134 N#CC1=CC2=CC(Br)=CC=C2OC1 BB01-2486 [0,1,0,1,0,0|1,0,1]=4 75 B14R2.1095 CN1C(C=O)=CC2=CC(Br)=CC=C21 BB57-4091 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.1095 CN1C2=CC=C(Cl)C=C2N=C1C=O BB58-1827 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.1131 COC1=C2N=CC=CC2=C(Br)C=C1 BB56-0628 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.29369 O=C1C=CC2=CC(Br)=CC=C2C1=O BB55-8075 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.2151 CC1=C(C=O)NC2=C(Cl)C=CC=C12 BB55-6978 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.2151 CC1=C2NC(C=O)=C(C)C2=CC=C1 BB57-0302 [0,1,0,1,0,0|2,0,0]=4