0 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O 20745 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.7724 ClC1=C(I)C=C(Br)C2=CC=CC=C21 100696 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12227 [1,0,0,0,0,0|1,0,1]=3 3 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12229 [1,0,0,0,0,0|1,0,1]=3 4 B13R2.32 FC1=C(I)C=CC2=CC=CC=C21 102037 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.328 FC1=CC(I)=CC2=CC=CC=C12 102038 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 18942 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 20203 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.328 O=C1C=C(O)C2=CC=CN=C2N1 19010 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 14932 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 15841 [1,0,0,0,0,0|2,1,0]=4 12 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 20124 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.371 O=C1C=CC(=O)C2=CC=CC=C12 15733 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.21211 CN1C(=O)C=C(NN)C2=CC=CC=C21 18515 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [1,0,1,0,0,0|1,0,0]=3 16 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.30 CC\C=C\C(O)C1=CC=CC=C1 100808 [1,0,1,0,0,0|1,0,1]=4 18 B12R1.30 CN\C=C/C(=O)C1=CC=CC=C1 13285 [1,0,1,0,0,0|0,0,1]=3 19 B12R1.30 C\C=C\CN(C)C1=CC=CC=C1 100882 [1,0,1,0,0,0|1,0,1]=4 20 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [1,0,1,0,0,0|0,0,2]=4 21 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [1,0,1,0,0,0|1,0,1]=4 22 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [2,0,0,0,0,0|0,0,0]=2 23 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [2,0,0,0,0,0|1,0,1]=4 24 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [2,0,0,0,0,0|1,0,1]=4 25 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [2,0,0,0,0,0|0,0,1]=3 26 B14R2.92 COC1=C(C)C2=CC=CC=C2C=C1 10742 [1,1,0,0,0,0|1,0,1]=4 27 B14R2.203 NCC1=C(O)C=CC2=CC=CC=C21 15403 [1,1,0,0,0,0|1,0,1]=4 28 B14R2.8188 CN1C(=O)C(F)=CC2=CC=CC=C21 101467 [1,1,0,0,0,0|0,0,0]=2 29 B14R2.1146 CNC1=CC(=O)OC2=CC=CC=C12 18943 [1,1,0,0,0,0|2,0,0]=4 30 B14R2.8045 CC1=C2NC(=O)C=C(Cl)C2=CC=C1 9588 [1,1,0,0,0,0|1,0,0]=3 31 B14R2.8045 CC1=C2NC(=O)C=C(O)C2=CC=C1 9584 [1,1,0,0,0,0|0,0,0]=2 32 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O 20205 [1,1,0,0,0,0|1,0,0]=3 33 B14R2.8235 CC1=CC=C2NC(=O)C=C(O)C2=C1 19002 [1,1,0,0,0,0|0,0,0]=2 34 B14R2.29365 O=C1C=C(O)C2=C(C=C(O)C=C2)O1 20204 [1,1,0,0,0,0|1,0,0]=3 35 B14R2.215 CC1=C(C#N)N(C)C2=CC=CC=C21 16074 [0,1,0,0,1,0|2,0,0]=4 36 B14R2.19306 CC1=C(C#N)C2=CC=CC=C2N1C 16076 [0,1,0,0,1,0|2,0,0]=4 37 B14R2.19306 CN1C2=CC=CC=C2C(C=O)=C1Cl 18632 [0,1,0,0,1,0|1,0,1]=4 38 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [1,0,0,0,1,0|0,0,1]=3 39 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [1,0,0,0,1,0|1,0,1]=4 40 B12R2.2028 O=C1C=[N+]([O-])C2=CC=CC=C12 10666 [1,0,0,0,1,0|1,0,1]=4 41 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [1,0,0,0,1,0|1,0,1]=4 42 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 836 [1,0,0,0,1,0|1,0,1]=4 43 B14R1.743 CN\C(C)=C/C(=O)OC1=CC=CC=C1 13295 [0,0,1,0,0,1|1,0,1]=4 44 B14R1.743 COC(=O)\C=C(\C)NC1=CC=CC=C1 13306 [0,0,1,0,0,1|2,0,0]=4 45 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O 15111 [1,0,0,0,0,1|1,0,0]=3 46 B14R2.738 CC1=CC(C)=[NH+]C2=CC=CC=C2N1 534 [1,0,0,0,0,1|2,0,0]=4