0 B12R1.27 COC(=O)CCC1=CN=CN=C1 CS-0239574 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 COC(=O)CNC1=NC=CC=N1 CS-0347579 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 CS-0150952 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.27 NCC(=O)NCC1=CC=CC=C1 CS-0186551 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.28 COCCNC1=CC=CC=C1 CS-0242309 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.91 NC(=O)NNC1=CC=CC=C1 CS-0325443 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-0059288 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 CS-0311604 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 CS-0210314 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 CS-W015691 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.14 O=C(COC1=CC=C(Cl)C=C1)O[Na] CS-0138152 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC CS-0158062 [0,1,0,0,0,0|0,0,1]=2 13 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 CS-0576301 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.528 COC(=O)CNC1=CC=CC=C1I CS-0347575 [0,1,0,0,0,0|1,0,1]=3 15 B13R2.10 BrC1=CC(C2=CC=CC=C2)=NO1 CS-0437091 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.32 BrC1=C2C=CC=CC2=CC=C1I CS-0609093 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.32 CC1=C2C=CC=CC2=CNC1=O CS-0757985 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.32 CC1=C2C=NC=CC2=CC=C1Cl CS-1174424 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.32 NC1=CC=C2C=CC=CC2=C1F CS-0433573 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.40 COC(=O)CC1=CN=CN=C1 CS-0492722 [0,0,0,0,1,0|2,0,1]=4 21 B11R1.40 COC(=O)NC1=CC=CC=C1 CS-0066443 [0,0,0,0,1,0|1,0,0]=2 22 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CS-0152637 [0,0,0,0,0,1|1,0,2]=4 23 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 CS-0324353 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 CS-0199636 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 CS-0201679 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)N=C1 CS-0368791 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.21 O=C(O)\C=C\C1=CN=C(Cl)C=C1 CS-0211692 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.21 OB(O)\C=C\C1=CC=C(Br)C=C1 CS-0772377 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CS-0644493 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CS-0170843 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 CS-0308399 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.125 CC1=CC=CC=C1\C=C\B(O)O CS-0851521 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.125 O=C(O)C#CC1=CC=CC=C1Cl CS-0122130 [1,1,0,0,0,0|0,0,2]=4 34 B12R1.125 O=C(O)\C=C\C1=C(Cl)N=CC=C1 CS-0245779 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.226 C(C(=O)O)=CC1=CC(Cl)=CC=C1 CS-W017081 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.226 CC(=O)\C=C\C1=NC(Br)=CC=C1 CS-0272001 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.226 CC1=CC(\C=C\C(=O)O)=CN=C1 CS-0867531 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.226 CC1=NC=CC(\C=C\C(=O)O)=C1 CS-0368788 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.226 O=C(O)COC1=CC=CC(O)=C1 CS-0237541 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.226 O=C(O)\C=C\C1=CC(Br)=NC=C1 CS-0261473 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.226 O=C(O)\C=C\C1=CC=NC(Cl)=C1 CS-0867535 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.226 O=C(O)\C=C\C1=NC(Cl)=CC=C1 CS-0693862 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.51 CCOC(=O)\C=C\C1=CSC=C1 CS-0159399 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 CS-0440095 [0,1,0,0,1,0|1,0,1]=4 45 B12R1.34 COC(=O)C(O)C1=CC=CN=C1 CS-0258905 [0,1,0,0,1,0|1,0,1]=4 46 B12R1.34 O=C(O[Na])C(=O)C1=CC=CC=C1 CS-0514534 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [0,1,0,0,1,0|1,0,1]=4 48 B12R1.50 COC(=O)NC1=CC=CC(Cl)=C1 CS-0576221 [0,1,0,0,1,0|1,0,0]=3 49 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 CS-0150655 [0,1,0,0,0,1|0,0,1]=3 50 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CS-0139128 [0,1,0,0,0,1|0,0,2]=4 51 B14R1.837 COC(=O)CCCC1=CC=CC=C1O CS-0161008 [0,1,0,0,0,1|0,0,2]=4 52 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 CS-0067987 [0,2,0,0,0,0|0,0,1]=3 53 B14R1.10 COC(=O)CC(=O)C1=CC=C(O)C=C1 CS-0302064 [0,2,0,0,0,0|0,0,1]=3 54 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 CS-0172518 [0,2,0,0,0,0|0,0,2]=4 55 B14R1.10 COC(=O)CC(O)C1=CC=C(Cl)C=C1 CS-0626393 [0,2,0,0,0,0|0,0,2]=4 56 B14R1.11 COC(=O)C[C@@H](N)C1=CC(F)=CC=C1 CS-0480111 [0,2,0,0,0,0|0,0,2]=4 57 B14R1.11 COC(=O)C[C@H](N)C1=CC(F)=CC=C1 CS-0884897 [0,2,0,0,0,0|0,0,2]=4 58 B14R1.587 COC(=O)CC(O)C1=C(C)C=CC=C1 CS-0618274 [0,2,0,0,0,0|0,0,2]=4 59 B14R1.587 COC(=O)C[C@H](N)C1=CC=CC=C1Cl CS-0754907 [0,2,0,0,0,0|0,0,2]=4 60 B14R1.134 COC(=O)C(C)OC1=CC=C(N)C=C1 CS-1227921 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.134 COC(=O)[C@H](Br)CC1=CC=C(F)C=C1 CS-0638183 [0,2,0,0,0,0|0,0,2]=4 62 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(N)C=C1 CS-0158626 [0,2,0,0,0,0|0,0,2]=4 63 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 CS-0061625 [0,2,0,0,0,0|0,0,2]=4 64 B14R1.833 COC(=O)CCC1=CC(O)=C(O)C=C1 CS-0571760 [0,2,0,0,0,0|0,0,2]=4 65 B14R1.32 CCOC(=O)C#CC1=CC(Cl)=CC=C1 CS-0233528 [0,2,0,0,0,0|0,0,2]=4 66 B14R1.1007 COC(=O)C(N)CC1=C(F)C=CC=C1 CS-0727149 [0,2,0,0,0,0|0,0,2]=4 67 B12R1.77 COC(=O)C1=CC=CC=C1OC CS-0014015 [0,0,1,1,0,0|1,0,1]=4 68 B12R1.77 COC(=O)C1=NC=CC=C1C=O CS-0040628 [0,0,1,1,0,0|2,0,0]=4 69 B12R1.354 COC(=O)C1=C(F)C=CC(Cl)=C1 CS-0189062 [0,0,1,1,0,0|2,0,0]=4 70 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 CS-0048980 [0,0,1,1,0,0|2,0,0]=4 71 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 CS-0147261 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 CS-0120025 [1,0,0,1,0,0|1,0,1]=4 73 B12R2.24 OC1=CC=C2C=CN=CC2=C1 CS-W011000 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.19 NC1=CC(CC2=CC=CC=C2)=NO1 CS-0214647 [0,0,0,1,0,1|2,0,0]=4 75 B14R2.1019 COC1=CC(N)=C2C=CC=CC2=C1 CS-0227510 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 CS-0151121 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.20 ClC1=CC=C(C2=NOC(Br)=C2)C=C1 CS-0616349 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.20 FC1=CC=C(C2=NOC(Cl)=C2)C=C1 CS-0616351 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.20 NC1=CC(C2=CC=C(I)C=C2)=NO1 CS-0252559 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 CS-0612168 [0,1,0,1,0,0|1,0,1]=4 81 B14R2.134 COC1=CC2=C(C=CC(=O)N2)C=C1 CS-0136593 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=N1 CS-0444840 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.134 COC1=CC2=CC(N)=CC=C2N=C1 CS-0508840 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.142 COC1=CC2=C(C=CN=C2Cl)C=C1 CS-0343231 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.142 COC1=CC2=C(O)N=CC=C2C=C1 CS-0464095 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.2332 CCC1=CC2=CC=C(O)C=C2C=C1 CS-0061462 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.2332 COC1=CC=C2NC(=O)C=CC2=N1 CS-0160571 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.2332 COC1=CN=C2C=C(Br)C=CC2=C1 CS-0361093 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.2332 COC1=CN=C2C=C(N)C=CC2=C1 CS-0475581 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=N1 CS-0653654 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.29369 CN1C(=O)C=CC2=CC(Br)=CC=C21 CS-0340490 [0,1,0,1,0,0|1,0,0]=3 92 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 CS-0745601 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.598 CN1NC(=O)C=C1C2=CC=CC=C2 CS-0749433 [0,1,0,1,0,0|1,0,0]=3 94 B14R2.1128 COC1=CC2=C(C=CN=C2)C=C1F CS-0645653 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.8188 CC1=NC2=CC=CC=C2N(C)C1=O CS-0282450 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 CS-0199024 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.8188 CN1C(=O)C(Br)=CC2=CC=CC=C21 CS-W020422 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.781 C[C@H](O)C1=CC2=C(C=CC=C2)C=C1 CS-0204756 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.92 COC1=C(Cl)C2=C(C=C1)C=NC=C2 CS-0597738 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.92 COC1=C(I)C2=CC=CC=C2C=C1 CS-0191576 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.92 COC1=C(N)C2=C(C=CC=N2)C=C1 CS-0456046 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.92 COC1=CC=C2C=CN=CC2=C1N CS-0453742 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.92 COC1=CC=C2C=NC=CC2=C1Br CS-0199411 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.256 CC1=CC=CC=C1C2=NOC(N)=C2 CS-0456541 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.256 NC1=CC(C2=CC=CC=C2I)=NO1 CS-0509260 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.1801 COC1=CN=C2C(N)=CC=CC2=C1 CS-0440466 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.1801 COC1=NC2=C(C=C1)C(Br)=CC=C2 CS-0587120 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [1,0,0,0,1,0|1,0,1]=4 109 B10R1.66 CC(=O)\C=C\C1=CC=CO1 CS-0181800 [1,0,0,0,1,0|1,0,0]=3 110 B10R1.66 O=C(O)\C=C\C1=CN=CN1 CS-0059340 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.66 O=C(O)\C=C\C1=CN=CN1 CS-0138454 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.66 O=C(O)\C=C\C1=CN=CS1 CS-0373319 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.66 O=C(O)\C=C\C1=CNC=C1 CS-0996830 [1,0,0,0,1,0|1,0,0]=3 114 B10R1.27 COC(=O)CC1=COC=C1 CS-0526938 [0,0,0,0,2,0|1,0,1]=4 115 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [0,0,0,0,2,0|1,0,1]=4 116 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [0,0,0,0,2,0|2,0,0]=4 117 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 CS-0049144 [0,0,0,0,0,2|0,0,2]=4