0 B13R2.369 CC1=CC2=C(C=NC=C2)C=C1F CS-0002004 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 CC1=NC2=CC=CC=C2C=C1N CS-W021729 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 ClC1=C(Br)N=C2N=CC=CC2=C1 CS-0197259 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 FC1=C(F)C=C2C=NC=CC2=C1 CS-0270863 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 NC1=C(Cl)C=C2C=CC=CC2=C1 CS-0433548 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 NC1=CC2=C(C=NC=C2)C=C1F CS-0469513 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 NC1=CC2=CC=CN=C2C=C1F CS-0475543 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br CS-0749354 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.24 BrC1=CC=C2C=CN=CC2=N1 CS-0186569 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS-W002560 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 NC1=CC2=CC=NC=C2N=C1 CS-B1555 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 NC1=NC2=C(C=C1)C=NC=C2 CS-0197616 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 CS-0120025 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.24 OC1=CC=C2C=CN=CC2=C1 CS-W011000 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.1128 C#CC1=CC2=CC=CC=C2N=C1Cl CS-0266226 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.1128 COC1=CC2=C(C=CN=C2)C=C1F CS-0645653 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br CS-0195037 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Cl CS-0374104 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1I CS-M3204 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.8188 CC1=NC2=CC=CC=C2N(C)C1=O CS-0282450 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 CS-0199024 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8188 CN1C(=O)C(Br)=CC2=CC=CC=C21 CS-W020422 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.8239 NC1=NC2=CC(I)=CC=C2C=C1Br CS-0148057 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.28472 CC1=NC2=C(C=CC=C2F)C=C1N CS-0037392 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.28472 OC1=C2C=C(F)C(F)=CC2=CC=C1 CS-0226555 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CS-0644493 [0,0,1,0,0,0|1,0,2]=4 26 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CS-0170843 [0,0,1,0,0,0|2,0,1]=4 27 B14R2.741 CN1N=CC2=CC=CC=C2CC1=O CS-M2516 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-0059288 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 CS-0311604 [1,0,1,0,0,0|2,0,0]=4 31 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 CS-0152993 [0,1,1,0,0,0|1,0,1]=4 32 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(O)C=C1 CS-0119804 [0,1,1,0,0,0|0,0,2]=4 33 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC CS-0158062 [0,1,1,0,0,0|1,0,1]=4 34 B13R1.148 O=C(O)C(=O)CC1=CC(F)=CC=C1 CS-0679654 [0,1,1,0,0,0|0,0,2]=4 35 B13R2.32 BrC1=C2C=CC=CC2=CC=C1I CS-0609093 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.32 CC1=C2C=CC=CC2=CNC1=O CS-0757985 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.32 NC1=C2N=CC=CC2=CC=C1O CS-0102387 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.32 NC1=CC=C2C=CC=CC2=C1F CS-0433573 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.32 NC1=COC2=CC=CC=C2C1=O CS-0171434 [1,1,0,0,0,0|1,0,0]=3 40 B13R2.32 OC1=C(Br)C2=CC=CC=C2N=C1 CS-0433846 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.57 C=CC1=CC2=CC=CC=C2N=C1 CS-0877374 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 CS-W010935 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 CS-0006109 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.57 OCC1=CC=C2C=CC=NC2=C1 CS-0246020 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.57 O\N=C1/C=NC2=C(C=CC=C2)N1 CS-0132765 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.155 CC1=CC2=CC(N)=CC=C2C=C1 CS-0108583 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS-W020576 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.155 ClC1=NC2=CC(I)=CC=C2C=C1 CS-0694594 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.155 FC1=CC2=NC(Br)=CC=C2C=C1 CS-0074064 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.155 FC1=CN=C2C=CC(Br)=CC2=C1 CS-0155646 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=N1 CS-0134052 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.155 NC1=CN=C2C=CC(F)=CC2=C1 CS-0466321 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.155 O=C1C=CC2=C(C=C(Br)N=C2)N1 CS-0615041 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.155 O=C1C=CC2=CN=C(F)C=C2N1 CS-0672876 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.155 OC1=CC2=CC(F)=CC=C2N=C1 CS-0144767 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.155 OC1=CC=C2C=CC(Cl)=CC2=C1 CS-0173237 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.162 CC1=CC2=C(Br)C=CC=C2N=C1 CS-W007179 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.162 CC1=CC=NC2=CC=C(O)C=C12 CS-0088087 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.162 ClC1=CC2=C(Br)C=CC=C2N=C1 CS-0338644 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.162 O=C1C=CC2=C(N1)C(I)=CC=C2 CS-0198424 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.328 BrC1=C2C=CC=CC2=CC(I)=C1 CS-0527200 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.328 FC1=CC(Br)=C2C=CC=CC2=C1 CS-0168222 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.328 NC1=C2C=CC=CC2=CC(O)=C1 CS-0343153 [1,1,0,0,0,0|1,0,0]=3 64 B13R2.3683 CC1=CC2=CNC(=O)C=C2C=C1 CS-0880236 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.3683 CC1=CC2=NC=C(Br)C=C2C=C1 CS-0533060 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.3683 CC1=CC=C2C=C(N)C=NC2=C1 CS-0909640 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.3683 ClC1=CC2=C(C=C(Br)C=C2)N=C1 CS-W022530 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 CS-0108664 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.3683 NC1=CN=C2C=C(F)C=CC2=C1 CS-0449796 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 CS-W000845 [1,1,0,0,0,0|0,0,2]=4 71 B13R2.3683 OC1=CC2=C(C=N1)C=C(Br)C=C2 CS-0054289 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 CS-0041973 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=C1 CS-0312290 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.3683 OC1=CC=C2N=C(Br)C=CC2=C1 CS-0514139 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 CS-0216850 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 CS-0040593 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.5179 ClC1=C2C=CC(Br)=NC2=CC=C1 CS-0196780 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 CS-0254560 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 CS-0435632 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.5179 NC1=CC2=CC=CC(O)=C2N=C1 CS-0201241 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.5179 NC1=CC=CC2=CC(F)=CN=C12 CS-0197450 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.5179 NC1=CN=C2C(Cl)=CC=CC2=C1 CS-0199706 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 CS-0437911 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.135 O=CC1=C(Cl)OC2=C1C=CC=C2 CS-0224786 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.135 [N-]=[N+]=C1C(=O)NC2=C1C=CC=C2 CS-0653360 [0,1,0,0,1,0|2,0,0]=4 86 B15R2.117 COC1=CC2=CC=CC=C2C=C1OC CS-W016796 [0,2,0,0,0,0|1,0,1]=4 87 B15R2.984 CC1=CC2=CC=CC=C2C=C1C(=O)O CS-0452011 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O CS-W023156 [0,2,0,0,0,0|1,0,0]=3 89 B15R2.984 OB(O)C1=C(Cl)C=C2C=CC=CC2=C1 CS-0108651 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.21336 COC1=CC=C2OC(=O)C(N)=CC2=C1 CS-0618714 [0,2,0,0,0,0|1,0,0]=3 91 B13R2.435 C[C@H](O)C1=CC2=C(C=CC=C2)O1 CS-0263718 [0,0,1,1,0,0|1,0,1]=4 92 B13R2.435 O=[N+]([O-])C1=CC2=CC=CC=C2O1 CS-0156003 [0,0,1,1,0,0|1,0,1]=4 93 B13R2.54 CC1=CC=CC2=C1C=C(C=O)N2 CS-0107095 [0,0,1,1,0,0|2,0,0]=4 94 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CS-0323911 [0,0,1,0,1,0|1,0,1]=4 95 B11R1.222 NC1=CC=CC=C1C(=O)NO CS-0033806 [0,0,1,0,1,0|2,0,0]=4 96 B11R1.222 O=C(CO)C1=CC=CC=C1Cl CS-0308332 [0,0,1,0,1,0|1,0,1]=4 97 B11R2.1 BrC1=COC2=C1C=NC=C2 CS-0087976 [1,0,0,0,1,0|2,0,0]=4 98 B11R2.10 CC1=CC2=CC=CC=C2C1 CS-W021717 [1,0,0,0,1,0|1,0,1]=4 99 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 CS-0576301 [0,0,1,0,0,1|0,0,2]=4