0 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 F19828 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.5 CCC1=NC=C(C(=O)OC)C=N1 60093 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.5 CNC1=NN=C(C(=O)OC)C=C1 AC2454 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 AB9723 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 87748 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.5 COC(=O)C1=CN=C(C#N)N=C1 P14141 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 57139 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.5 COC(=O)C1=CN=C(CBr)C=N1 26698 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 94419 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 FD7395 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 68601 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 30635 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.5 COC(=O)C1=NC=C(CN)N=C1 57143 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 90186 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 P11291 [0,0,0,0,0,0|1,0,0]=1 20 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 F52806 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 RB3230 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.5 COC(=O)C1=NN=C(C#N)C=C1 37925 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.5 COC(=O)C1=NN=C(CBr)C=C1 57145 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 P12130 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.5 COC1=CC=C(C(=S)NN)C=C1 W10977 [0,0,0,0,0,0|2,1,0]=3 27 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.5 COC1=NC=C(C(=N)NO)C=C1 79078 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.5 N#CC1=CC=C(C(=O)CO)C=C1 AC6010 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 69207 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 C80031 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 H10198 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [1,0,0,0,0,0|0,0,2]=3 48 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [1,0,0,0,0,0|0,0,2]=3 49 B11R1.3 COC1=CN=C(C(=N)N)C=C1 66227 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [1,0,0,0,0,0|1,1,1]=4 57 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [1,0,0,0,0,0|1,1,1]=4 58 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [1,0,0,0,0,0|1,1,1]=4 59 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 O12033 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [1,0,0,0,0,0|0,1,0]=2 81 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [1,0,0,0,0,0|0,1,1]=3 97 B13R1.36 CN(C)C(=O)C1=CC=C(CO)C=C1 F53479 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 O10296 [0,1,0,0,0,0|1,0,0]=2 99 B13R1.95 C#CC1=CC(Cl)=C(C(=O)OC)C=C1 72913 [0,1,0,0,0,0|1,0,1]=3 100 B13R1.95 CC[C@H](N)C1=C(C)C=C(OC)C=C1 Y11985 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.95 CC[C@H](N)C1=C(C)C=C(OC)C=C1 Y11986 [0,1,0,0,0,0|2,0,1]=4 102 B13R1.95 CC[C@H](N)C1=C(C)C=C(OC)C=C1 Y12269 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.95 CNC(=O)C1=C(N)C=C(OC)C=C1 F15702 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.95 CNC1=CC(Cl)=C(C(=O)OC)N=C1 A11978 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.95 COC(=O)C1=C(Br)C=C(C#N)C=C1 CL9181 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.95 COC(=O)C1=C(C)C=C(C=O)C=C1 79094 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.95 COC(=O)C1=C(C)C=C(CBr)C=C1 78278 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.95 COC(=O)C1=C(C)N=C(OC)C=C1 W12734 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.95 COC(=O)C1=C(Cl)C=C(C=O)C=C1 72939 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.95 COC(=O)C1=C(Cl)C=C(C=O)C=N1 W17348 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.95 COC(=O)C1=C(Cl)C=C(CBr)C=C1 D80567 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.95 COC(=O)C1=C(Cl)C=C(OC)N=C1 F51616 [0,1,0,0,0,0|1,0,0]=2 113 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 CL9183 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.95 COC(=O)C1=C(F)C=C(CO)C=C1 AT19256 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.95 COC(=O)C1=C(F)C=C(OC)C=N1 68838 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.95 COC(=O)C1=C(I)C=C(OC)C=C1 21134 [0,1,0,0,0,0|0,0,0]=1 117 B13R1.95 COC(=O)C1=C(N)C=C(CO)C=C1 D93330 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 O11938 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.95 COC(=O)C1=C(O)C=C(CBr)C=C1 D93573 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.95 COC(=O)C1=C(O)C=C(CO)C=C1 D93572 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.95 COC(=O)C1=CC=C(CO)N=C1Cl W17795 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Br D82707 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.95 COC(=O)C1=CC=C(OC)N=C1F 28013 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.95 COC(=O)C1=NC=C(OC)C=C1C D83518 [0,1,0,0,0,0|1,0,0]=2 125 B13R1.95 COC(=O)C1=NC=C(OC)C=C1N D78810 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.95 COC1=CC(Br)=C(C(=O)CBr)C=C1 AC3109 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.139 CCOC1=CC=C([C@@H](N)CC)C=C1 N16809 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.139 CCOC1=CC=C([C@@H](O)CC)C=C1 D93349 [0,1,0,0,0,0|1,0,2]=4 129 B13R1.139 COC(=O)C1=CC=C(C#CBr)C=C1 72476 [0,1,0,0,0,0|1,0,1]=3 130 B13R1.139 COC(=O)C1=CC=C(CC=O)C=C1 S10818 [0,1,0,0,0,0|1,0,1]=3 131 B13R1.139 COC(=O)C1=CC=C(CCO)C=C1 79415 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.139 COCC1=CC=C(C(=O)NN)C=C1 W19082 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.139 COCC1=CC=C(C(=O)OC)C=C1 72033 [0,1,0,0,0,0|0,0,0]=1 134 B13R1.187 CNC1=CC=C(S(=O)(=O)NC)C=C1 72133 [0,1,0,0,0,0|3,0,0]=4 135 B13R1.452 C=CC1=CC=C(C(=O)OCC)C=C1 S11889 [0,1,0,0,0,0|1,0,1]=3 136 B13R1.452 CCC[C@H](O)C1=CC=C(OC)C=C1 W12543 [0,1,0,0,0,0|1,0,2]=4 137 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 W11168 [0,1,0,0,0,0|1,0,0]=2 138 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 20623 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 20699 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 AR3383 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.452 CCOC(=O)C1=CN=C(CC)N=C1 69206 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.452 CCOC(=O)C1=CN=C(CN)C=C1 AR2222 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.452 CCOC(=O)C1=CN=C(CO)C=C1 O11808 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.452 CCOC(=O)C1=CN=C(OC)C=C1 AB10014 [0,1,0,0,0,0|1,0,0]=2 145 B13R1.452 CCOC(=O)C1=NC=C(CO)C=C1 C75363 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.452 CCOC(=O)C1=NN=C(NC)C=C1 AC6007 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 O10668 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 32434 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 52695 [0,1,0,0,0,0|2,0,0]=3 150 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 Y12286 [0,1,0,0,0,0|1,0,0]=2 151 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 Y12474 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 71166 [0,1,0,0,0,0|1,0,0]=2 153 B13R1.537 COC(=O)C1=CN=C(C(C)=O)C=C1 W10357 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.537 COC(=O)C1=CN=C([C@H](C)N)C=C1 N14656 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.537 COC(=O)C1=CN=C([N+](=O)[O-])C=C1 28019 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.537 COC(=O)C1=NC=C(C(Br)Br)C=C1 C75625 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.3088 CCC1=C(I)C=C(C(=O)OC)C=C1 I11293 [0,1,0,0,0,0|1,0,0]=2 158 B13R1.3088 CNC1=C(Br)C=C(C(=O)OC)C=C1 AB11664 [0,1,0,0,0,0|1,0,0]=2 159 B13R1.3088 CNC1=C(N)C=C(C(=O)OC)C=C1 60043 [0,1,0,0,0,0|1,0,0]=2 160 B13R1.3088 COC(=O)C1=CC(Br)=C(C#N)C=C1 AB9633 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.3088 COC(=O)C1=CC(Br)=C(CO)C=C1 RB3304 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 CL9388 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.3088 COC(=O)C1=CC(Cl)=C(CN)C=C1 A10036 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.3088 COC(=O)C1=CC(Cl)=C(CO)N=C1 W17796 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)C=N1 P12280 [0,1,0,0,0,0|1,0,0]=2 166 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)N=C1 72286 [0,1,0,0,0,0|1,0,0]=2 167 B13R1.3088 COC(=O)C1=CC(F)=C(OC)N=C1 25947 [0,1,0,0,0,0|1,0,0]=2 168 B13R1.3088 COC(=O)C1=CC(I)=C(C#N)C=C1 21108 [0,1,0,0,0,0|2,0,0]=3 169 B13R1.3088 COC(=O)C1=CC(O)=C(C=O)C=C1 98201 [0,1,0,0,0,0|2,0,0]=3 170 B13R1.3088 COC(=O)C1=CC=C(C#N)C(Cl)=N1 C72000 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.3088 COC(=O)C1=CC=C(C=O)C(Cl)=N1 I11130 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.3088 COC(=O)C1=CC=C(CO)C(Cl)=N1 I10805 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=N1 F30088 [0,1,0,0,0,0|1,0,0]=2 174 B13R1.3088 COC(=O)C1=CN=C(OC)C(N)=C1 C75768 [0,1,0,0,0,0|1,0,0]=2 175 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 S10379 [0,1,0,0,0,0|1,0,0]=2 176 B13R1.3088 COC1=C(Cl)C=C(C(=O)NN)C=C1 W10805 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 27016 [0,0,0,1,0,0|2,0,1]=4 178 B13R2.2130 COC1=CC2=C(C=C1)C(=O)C=C2 N13246 [0,0,0,1,0,0|1,0,1]=3 179 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 88998 [0,0,0,1,0,0|2,0,0]=3 180 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 Y10227 [0,0,0,1,0,0|0,0,0]=1 181 B13R2.2130 COC1=CC2=C(C=C1)C(=O)ON2 W13527 [0,0,0,1,0,0|1,0,0]=2 182 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CN2 D86192 [0,0,0,1,0,0|3,0,0]=4 183 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 D82922 [0,0,0,1,0,0|3,0,0]=4 184 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NO2 D78624 [0,0,0,1,0,0|3,0,0]=4 185 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 26188 [0,0,0,1,0,0|3,0,0]=4 186 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 N10956 [0,0,0,1,0,0|2,0,1]=4 187 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 O11461 [0,0,0,1,0,0|2,0,1]=4 188 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)CC2 BL001194 [0,0,0,1,0,0|3,0,0]=4 189 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 F17813 [0,0,0,1,0,0|3,0,0]=4 190 B11R1.44 COC(=O)C1=CC(C#N)=CO1 D83959 [0,0,0,0,1,0|3,0,0]=4 191 B11R1.44 COC(=O)C1=CC(C=O)=CN1 94929 [0,0,0,0,1,0|3,0,0]=4 192 B11R1.44 COC(=O)C1=CC(CN)=CS1 C77132 [0,0,0,0,1,0|3,0,0]=4 193 B11R1.44 COC(=O)C1=CC(OC)=NO1 W11034 [0,0,0,0,1,0|2,0,0]=3 194 B11R1.44 COC(=O)C1=CC=C(C#N)S1 89051 [0,0,0,0,1,0|3,0,0]=4 195 B11R1.44 COC(=O)C1=CC=C(C=O)O1 A11318 [0,0,0,0,1,0|3,0,0]=4 196 B11R1.44 COC(=O)C1=CC=C(CN)N1 O11942 [0,0,0,0,1,0|3,0,0]=4 197 B11R1.44 COC(=O)C1=CC=C(OC)S1 AC2452 [0,0,0,0,1,0|1,0,0]=2 198 B11R1.44 COC(=O)C1=NC=C(OC)O1 AC6206 [0,0,0,0,1,0|2,0,0]=3 199 B13R1.5 C=CC(=O)OC1=CC=C(CC)C=C1 Y14655 [0,0,0,0,0,1|2,0,1]=4 200 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 N14177 [0,0,0,0,0,1|1,0,0]=2 201 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 W10776 [0,0,0,0,0,1|1,0,0]=2 202 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 76596 [0,0,0,0,0,1|2,0,0]=3 203 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 W18806 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [2,0,0,0,0,0|1,0,0]=3 205 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [2,0,0,0,0,0|1,0,1]=4 206 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.3 COC1=NN=C(OC)C=C1 C75238 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [2,0,0,0,0,0|1,0,1]=4 219 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [2,0,0,0,0,0|1,0,1]=4 221 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [2,0,0,0,0,0|0,0,2]=4 222 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [2,0,0,0,0,0|0,0,2]=4 226 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [2,0,0,0,0,0|1,0,1]=4 228 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [2,0,0,0,0,0|1,0,1]=4 229 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [2,0,0,0,0,0|0,0,2]=4 230 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [2,0,0,0,0,0|1,0,1]=4 232 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [2,0,0,0,0,0|1,0,1]=4 236 B10R1.1 COCC1=CC=C(O)C=C1 63646 [2,0,0,0,0,0|0,0,1]=3 237 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [2,0,0,0,0,0|0,1,1]=4 238 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [2,0,0,0,0,0|1,0,1]=4 240 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [2,0,0,0,0,0|2,0,0]=4 241 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 N11053 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.6 COC1=CC=C(P(=O)(O)O)C=C1 T72088 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 C72433 [1,1,0,0,0,0|1,0,1]=4 244 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 34118 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 C77389 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.48 CCC1=C(F)C=C(C(=O)O)C=C1 36886 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O C71409 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.48 CNC1=C(N)C=C(C(C)=O)C=C1 24155 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 C10744 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 P11632 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 N12277 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10287 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10288 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 R10067 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.48 COC1=COC(C(=O)O)=CC1=O A11938 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.48 COC1=NC=C(C(=O)O)C=C1C 72479 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 AB6375 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 95966 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 CL9384 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.48 O=C(O)C1=CC(F)=C(CBr)C=C1 C90464 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.48 O=C(O)C1=CC(F)=C(CO)C=C1 W10220 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.48 O=C(O)C1=CC(O)=C(CO)C=C1 D80533 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 AC1747 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 CL9202 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 D93345 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CL9094 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.113 CCOC1=CC=C(C(N)=S)C=C1 76923 [1,1,0,0,0,0|1,1,0]=4 268 B12R1.113 CCOC1=CC=C([C@H](C)O)C=C1 A12294 [1,1,0,0,0,0|0,0,2]=4 269 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 C77361 [1,1,0,0,0,0|1,0,0]=3 270 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 36273 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 W15469 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 C75240 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.113 O=C(O)C1=CN=C(OCF)C=N1 W11470 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20153 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 D84331 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 C72515 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=C1 O11601 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 F31037 [1,1,0,0,0,0|1,0,0]=3 279 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10456 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10681 [1,1,0,0,0,0|1,0,0]=3 281 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 C77341 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 C71562 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 94898 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 C12929 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.452 CCC1=CC(F)=C(C(N)=O)C=C1 D79253 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.452 COC1=CC(C)=C(C(N)=O)C=C1 F15895 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [1,1,0,0,0,0|1,0,1]=4 290 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 O10984 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 75061 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11507 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11508 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y13370 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 S10425 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 67888 [1,1,0,0,0,0|1,0,1]=4 297 B12R1.452 COC1=CC(F)=C(C(=O)O)N=C1 80030 [1,1,0,0,0,0|1,0,0]=3 298 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10213 [1,1,0,0,0,0|1,0,1]=4 299 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10289 [1,1,0,0,0,0|1,0,1]=4 300 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y11913 [1,1,0,0,0,0|1,0,1]=4 301 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P11630 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 52087 [1,1,0,0,0,0|0,0,0]=2 303 B12R1.452 COC1=CC=C(C(=O)O)C(=O)N1 D80739 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.452 COC1=CC=C(C(=O)O)C(Br)=N1 O10693 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 89001 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 N17024 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.452 COC1=CN=C(C(=O)O)C(N)=N1 55145 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.452 COC1=NC(C)=C(C(=O)O)C=C1 24363 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 F31118 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 75574 [1,1,0,0,0,0|0,1,0]=3 311 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 80126 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 CL9383 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 N10574 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.452 O=CC1=CC(F)=C(C(=O)O)C=C1 D95103 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 D72514 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.9 COS(=O)(=O)C1=CC=C(Cl)C=C1 D93386 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [1,1,0,0,0,0|1,0,0]=3 318 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [1,1,0,0,0,0|1,0,0]=3 319 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [1,1,0,0,0,0|1,0,1]=4 321 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.20 CC1=CC=C(C(=O)C(Br)Br)C=C1 D93381 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 W17856 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 C75974 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.367 CCC(=O)C1=CC(C)=C(F)C=C1 N14308 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.367 CCC(=O)C1=CC(F)=C(C)C=C1 N14054 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.367 CNC(=O)C1=CC(F)=C(N)C=C1 AB8036 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=N1 D82594 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 89893 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 52415 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 27161 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 36387 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.367 COC(=O)C1=CC(Cl)=C(I)C=C1 71900 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 D74443 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 26246 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 D94492 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 27120 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=N1 D70929 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.367 COC(=O)C1=CC=C(N)C(Br)=N1 F30314 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=N1 A10575 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 C71741 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.367 COC(=O)C1=CN=C(Br)C(Cl)=C1 AT10809 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.367 COC(=O)C1=CN=C(C)C(Br)=N1 91342 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 W18451 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 C74015 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P14147 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 D71942 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 C72053 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 P13461 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 O11955 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 P15512 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 27103 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.367 COC(=O)C1=NC(N)=C(Cl)C=C1 D80838 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 P10795 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.367 COC(=O)C1=NC=C(C)C(N)=C1 F18534 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 RB3263 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 CS1665 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A11075 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 D87870 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 T70851 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.1703 CCC(=O)C1=C(F)C=C(Cl)C=C1 55949 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 75450 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 35420 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=N1 BL008119 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 F11974 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=N1 85649 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.1703 COC(=O)C1=C(Br)C=C(O)C=C1 C90903 [1,1,0,0,0,0|0,0,0]=2 377 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 D82510 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 F19913 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=C1 F16760 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 C71884 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 O11963 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.1703 COC(=O)C1=C(C)NC(=O)C=C1 32384 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.1703 COC(=O)C1=C(Cl)C=C(C)C=C1 C90285 [1,1,0,0,0,0|0,0,0]=2 384 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=N1 BL010110 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=N1 BL010141 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)N=C1 C72055 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 P12276 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 O11966 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.1703 COC(=O)C1=C(I)C=C(C)C=C1 C90901 [1,1,0,0,0,0|0,0,0]=2 390 B12R1.1703 COC(=O)C1=C(I)C=C(F)C=C1 W19258 [1,1,0,0,0,0|1,0,0]=3 391 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 P18775 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.1703 COC(=O)C1=C(O)N=C(C)N=C1 W17872 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br 27048 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Br Y11556 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl AC8698 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl 28017 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C 68238 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F 24406 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O 76668 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N F14180 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C S10377 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.1703 COC(=O)C1=NC=C(F)C=C1N 85648 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 T70646 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [1,1,0,0,0,0|1,0,1]=4 405 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [1,1,0,0,0,0|1,0,1]=4 407 B12R1.71 COC1=CC=C(OCCBr)C=C1 F30177 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.116 CCOC1=CC=C(OCC)C=C1 D76500 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.63 COC(=O)C1=CC(Br)=C(OC)S1 D81668 [0,1,0,0,1,0|1,0,0]=3 410 B12R1.179 COC(=O)C1=CC=C(CCO)S1 O11941 [0,1,0,0,1,0|2,0,0]=4 411 B12R1.359 COC(=O)C1=CC(C(C)=O)=CN1 C15751 [0,1,0,0,1,0|2,0,0]=4 412 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 W12578 [0,1,0,0,0,1|1,0,0]=3 413 B14R1.3 COC1=CC=C(CC(=O)C(C)C)C=C1 N14180 [0,1,0,0,0,1|1,0,0]=3 414 B14R1.3 COC1=CC=C(NC(=O)C(=O)O)C=C1 A12506 [0,1,0,0,0,1|2,0,0]=4 415 B14R1.7 COC(=O)C(=O)C1=CC=C(OC)C=C1 A10125 [0,1,0,0,0,1|0,0,0]=2 416 B14R1.24 CCOC1=CC=C(NC(=O)NC)C=C1 AB3704 [0,1,0,0,0,1|1,0,0]=3 417 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 S10849 [0,1,0,0,0,1|2,0,0]=4 418 B14R1.954 COC1=CC=C(NC(=O)CCCl)C=C1 57487 [0,1,0,0,0,1|1,0,0]=3 419 B14R1.2879 COC(=O)CC1=CC=C(C(=O)O)C=C1 A12909 [0,1,0,0,0,1|2,0,0]=4 420 B14R1.2879 COC(=O)NC1=CC=C([N+](=O)[O-])C=C1 AB10049 [0,1,0,0,0,1|2,0,0]=4 421 B14R1.3652 COC1=C(N)C=C(C(=O)N(C)C)C=C1 F20001 [0,2,0,0,0,0|1,0,0]=3 422 B14R1.6402 CC(=O)C1=CC=C(C(=O)N(C)C)C=C1 C71044 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.487 CCNC1=CC=C(C(=O)OC)C(F)=N1 W12451 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.579 COC(=O)C1=C(Cl)C=C(C#N)C=C1Cl F52287 [0,2,0,0,0,0|2,0,0]=4 425 B14R1.579 COC(=O)C1=C(F)C=C(CBr)C=C1F AC2426 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.1128 COC(=O)C1=C(C)C=C(C(=O)O)C=C1 A10609 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.1128 COC(=O)C1=C(C)C=C(C(N)=O)C=C1 AB10287 [0,2,0,0,0,0|2,0,0]=4 428 B14R1.1128 COC(=O)C1=C(I)C=C([N+](=O)[O-])C=C1 F16107 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.1128 COC(=O)C1=C(N)C=C([N+](=O)[O-])C=C1 83293 [0,2,0,0,0,0|2,0,0]=4 430 B14R1.1128 COC(=O)C1=C(O)C=C(C(C)=O)C=C1 C74425 [0,2,0,0,0,0|1,0,0]=3 431 B14R1.1128 COC(=O)C1=C(O)C=C(N(C)C)C=C1 W19502 [0,2,0,0,0,0|1,0,0]=3 432 B14R1.1128 COC(=O)C1=C(O)C=C([N+](=O)[O-])C=C1 72071 [0,2,0,0,0,0|2,0,0]=4 433 B14R1.2294 COC(=O)C1=C(C)C=C(OC)C(O)=C1 W11397 [0,2,0,0,0,0|0,0,0]=2 434 B14R1.2294 COC(=O)C1=C(F)C=C(OC)C(N)=C1 AC2447 [0,2,0,0,0,0|0,0,0]=2 435 B14R1.2294 COC(=O)C1=CC(Br)=C(OC)C=C1N 90760 [0,2,0,0,0,0|0,0,0]=2 436 B14R1.2294 COC(=O)C1=CC(Br)=C(OC)C=C1O C75006 [0,2,0,0,0,0|0,0,0]=2 437 B14R1.2294 COC(=O)C1=CC(Cl)=C(OC)C=C1N 90886 [0,2,0,0,0,0|0,0,0]=2 438 B14R1.2294 COC(=O)C1=CC(F)=C(CBr)C=C1F AC3938 [0,2,0,0,0,0|2,0,0]=4 439 B14R1.2294 COC(=O)C1=CC(I)=C(OC)C=C1N F20120 [0,2,0,0,0,0|0,0,0]=2 440 B14R1.2316 COC(=O)C1=C(C)C(Br)=C(OC)C=C1 CL9026 [0,2,0,0,0,0|0,0,0]=2 441 B14R1.2334 COC(=O)C1=C(CBr)C=C(C#N)C=C1 CL8532 [0,2,0,0,0,0|2,0,0]=4 442 B14R1.2334 COC(=O)C1=C(OC)C=C(C#N)C=C1 CL9477 [0,2,0,0,0,0|2,0,0]=4 443 B14R1.2334 COC(=O)C1=C(OC)C=C(C=O)C=C1 95945 [0,2,0,0,0,0|2,0,0]=4 444 B14R1.2334 COC(=O)C1=C(OC)C=C(OC)N=C1 97681 [0,2,0,0,0,0|1,0,0]=3 445 B14R1.2334 COC1=CC(OC)=C(C(=O)CBr)C=C1 C16075 [0,2,0,0,0,0|2,0,0]=4 446 B14R1.7234 CCOC(=O)C1=C(Cl)C=C(C#N)C=C1 AB9242 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.25 CCOC(=O)C1=CN=C(OCC)C=C1 21226 [0,2,0,0,0,0|1,0,0]=3 448 B14R1.65 COC(=O)C1=CC=C(C#CCO)C=C1 C75867 [0,2,0,0,0,0|1,0,0]=3 449 B14R1.65 COC(=O)C1=CC=C(CCCBr)C=C1 C71434 [0,2,0,0,0,0|1,0,0]=3 450 B14R1.718 COC(=N)C1=CC=C(C(=O)OC)C=C1 AC6519 [0,2,0,0,0,0|0,0,0]=2 451 B14R1.718 COC(=O)C1=CC=C(C(=O)CBr)C=C1 F15192 [0,2,0,0,0,0|1,0,0]=3 452 B14R1.718 COC(=O)C1=CC=C([C@@H](N)CO)C=C1 N11371 [0,2,0,0,0,0|1,0,0]=3 453 B14R1.718 COC(=O)C1=CC=C([C@@H](N)CO)C=C1 Y10334 [0,2,0,0,0,0|1,0,0]=3 454 B14R1.718 COC(=O)C1=CC=C([C@@H](N)CO)C=C1 Y10335 [0,2,0,0,0,0|1,0,0]=3 455 B14R1.718 COC(=O)C1=CN=C(C(=O)OC)N=C1 F31214 [0,2,0,0,0,0|2,0,0]=4 456 B14R1.6720 CCNC1=C(O)C=C(C(=O)OC)C=C1 AC2427 [0,2,0,0,0,0|1,0,0]=3 457 B14R1.6720 CCOC1=C(Br)C=C(C(=O)OC)C=C1 C15394 [0,2,0,0,0,0|0,0,0]=2 458 B14R1.6720 COC(=O)C1=CC(F)=C(NC=O)C=C1 D77398 [0,2,0,0,0,0|1,0,1]=4 459 B14R1.610 CCOC(=O)C1=CC=C(N(C)C)C=C1 D72571 [0,2,0,0,0,0|1,0,0]=3 460 B14R1.610 CONC(=O)C1=CC=C(B(O)O)C=C1 H11724 [0,2,0,0,0,0|2,0,0]=4 461 B14R1.628 CCOC(=O)C1=CC(Br)=C(CC)C=C1 I11919 [0,2,0,0,0,0|1,0,0]=3 462 B14R1.628 CCOC(=O)C1=CC(Cl)=C(C#N)C=C1 21129 [0,2,0,0,0,0|2,0,0]=4 463 B14R1.628 CCOC(=O)C1=CC(I)=C(C#N)C=C1 N10637 [0,2,0,0,0,0|2,0,0]=4 464 B14R1.628 CCOC(=O)C1=CC(I)=C(OC)C=C1 D75553 [0,2,0,0,0,0|0,0,0]=2 465 B14R1.628 CCOC(=O)C1=CC(N)=C(C#N)C=C1 W17167 [0,2,0,0,0,0|2,0,0]=4 466 B14R1.719 COC(=O)C1=CC=C(C(C)(F)F)C=C1 F53208 [0,2,0,0,0,0|1,0,0]=3 467 B14R1.719 COC(=O)C1=CC=C(S(N)(=O)=O)C=C1 Y13486 [0,2,0,0,0,0|1,1,0]=4 468 B14R1.719 COC(=O)C1=CC=C([Si](C)(C)C)C=C1 AC5665 [0,2,0,0,0,0|1,0,0]=3 469 B14R1.719 COC(=O)C1=NC=C(S(C)(=O)=O)C=C1 31554 [0,2,0,0,0,0|1,1,0]=4 470 B14R1.747 COC(=O)C1=CC(Br)=C(C(=O)O)C=C1 C77110 [0,2,0,0,0,0|2,0,0]=4 471 B14R1.747 COC(=O)C1=CC(Br)=C(C(C)C)C=C1 W16780 [0,2,0,0,0,0|1,0,0]=3 472 B14R1.747 COC(=O)C1=CC(Br)=C([N+](=O)[O-])C=C1 W13377 [0,2,0,0,0,0|2,0,0]=4 473 B14R1.747 COC(=O)C1=CC(C)=C(C(=O)O)C=C1 72709 [0,2,0,0,0,0|2,0,0]=4 474 B14R1.747 COC(=O)C1=CC(C)=C([C@H](C)N)C=C1 Y12883 [0,2,0,0,0,0|1,0,0]=3 475 B14R1.747 COC(=O)C1=CC(Cl)=C(C(=O)O)C=C1 98174 [0,2,0,0,0,0|2,0,0]=4 476 B14R1.747 COC(=O)C1=CC(Cl)=C(C(C)=O)C=C1 D82748 [0,2,0,0,0,0|1,0,0]=3 477 B14R1.747 COC(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1 D84533 [0,2,0,0,0,0|2,0,0]=4 478 B14R1.1864 COC(=O)C1=CC(CBr)=C(C#N)C=C1 CK2189 [0,2,0,0,0,0|2,0,0]=4 479 B14R1.1864 COC(=O)C1=CC(CBr)=C(OC)C=C1 C72649 [0,2,0,0,0,0|0,0,0]=2 480 B14R1.1864 COC(=O)C1=CC(OC)=C(C#N)C=C1 21130 [0,2,0,0,0,0|2,0,0]=4 481 B14R1.1864 COC(=O)C1=CC(OC)=C(CO)C=C1 38306 [0,2,0,0,0,0|2,0,0]=4 482 B14R1.1864 COC(=O)C1=CC(OC)=C(NN)C=C1 W15315 [0,2,0,0,0,0|2,0,0]=4 483 B14R1.12512 COC(=O)C1=CC(Br)=C(OC)C(Br)=C1 20931 [0,2,0,0,0,0|0,0,0]=2 484 B14R1.12512 COC(=O)C1=CC(Cl)=C(C=O)C(Cl)=C1 CL9613 [0,2,0,0,0,0|2,0,0]=4 485 B14R1.12512 COC(=O)C1=CC(F)=C(CBr)C(F)=C1 CL9661 [0,2,0,0,0,0|2,0,0]=4 486 B14R1.12512 COC(=O)C1=CC(F)=C(OC)C(O)=C1 F11971 [0,2,0,0,0,0|0,0,0]=2 487 B12R1.24 COC(=O)C1=CC=CN(C)C1=O P10137 [0,0,1,1,0,0|2,0,0]=4 488 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 67661 [1,0,0,1,0,0|1,0,0]=3 489 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [1,0,0,1,0,0|0,0,0]=2 490 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 66309 [1,0,0,1,0,0|2,0,0]=4 491 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [1,0,0,1,0,0|2,0,0]=4 492 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [1,0,0,1,0,0|2,0,0]=4 493 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [1,0,0,1,0,0|2,0,0]=4 494 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [1,0,0,1,0,0|1,0,1]=4 495 B12R2.44 COC1=CC2=C(C=C1)C=NN2 25976 [1,0,0,1,0,0|2,0,0]=4 496 B12R2.44 COC1=CC2=C(C=C1)CNC2 64065 [1,0,0,1,0,0|1,0,1]=4 497 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=C2 W10314 [0,0,0,1,0,1|1,0,1]=4 498 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 C76042 [0,0,0,1,0,1|2,0,0]=4 499 B14R2.2332 COC1=CC2=C(C=C1)OC(=O)CC2 D94611 [0,0,0,1,0,1|1,0,0]=3 500 B14R2.2332 COC1=NC2=C(C=C1)CC(=O)CC2 84039 [0,0,0,1,0,1|2,0,0]=4 501 B14R2.1 COC1=CC=C(C2=NCCC2)C=C1 AR2258 [0,1,0,1,0,0|2,0,0]=4 502 B14R2.1 COC1=CC=C(C2=NN=CO2)C=C1 C76653 [0,1,0,1,0,0|1,0,1]=4 503 B14R2.152 COC1=CC2=C(C=C1)C(C=O)=NN2 79410 [0,1,0,1,0,0|2,0,0]=4 504 B14R2.1801 COC1=CC2=C(C=C1)C(=O)C=CO2 56993 [0,1,0,1,0,0|1,0,1]=4 505 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCN2 F16853 [0,1,0,1,0,0|1,0,0]=3 506 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCO2 Y10482 [0,1,0,1,0,0|1,0,0]=3 507 B14R2.1801 COC1=CC2=C(C=C1)C(=O)COC2 96403 [0,1,0,1,0,0|0,0,0]=2 508 B14R2.1801 COC1=NC2=C(C=C1)C(=O)NCC2 89003 [0,1,0,1,0,0|2,0,0]=4 509 B14R2.36882 COC1=CC(Cl)=C2C(=O)CCC2=C1 Y12215 [0,1,0,1,0,0|1,0,0]=3 510 B14R2.36882 COC1=CC(O)=C2C(=O)CCC2=C1 I11657 [0,1,0,1,0,0|1,0,0]=3 511 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCC2 72305 [0,1,0,1,0,0|1,0,0]=3 512 B14R2.966 COC(=O)C1=CC2=C(C=C1)CNC2 SC4430 [0,1,0,1,0,0|1,0,0]=3 513 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 31916 [0,1,0,1,0,0|1,0,1]=4 514 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 C76362 [0,1,0,1,0,0|1,0,1]=4 515 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 W18095 [0,1,0,1,0,0|0,0,1]=3 516 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=N2 F14217 [0,1,0,1,0,0|0,1,1]=4 517 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 68028 [0,1,0,1,0,0|1,0,1]=4 518 B14R2.966 COC(=O)C1=CC2=C(C=CS2)C=C1 F18424 [0,1,0,1,0,0|1,0,1]=4 519 B14R2.966 COC(=O)C1=NC2=C(C=C1)OC=C2 96803 [0,1,0,1,0,0|1,0,1]=4 520 B14R2.326 COC1=CC=C(C2(N)COC2)C=C1 59770 [0,1,0,1,0,0|1,0,1]=4 521 B14R2.1812 COC1=CC2=C(C=C1)C(=O)NC2=O AB9549 [0,1,0,1,0,0|1,0,1]=4 522 B14R2.1812 COC1=CC2=C(C=C1)C(I)=NN2C 88012 [0,1,0,1,0,0|2,0,0]=4 523 B14R2.1812 N#CC1=CC2=C(C=C1)C(=O)O[C@H]2Br W15005 [0,1,0,1,0,0|2,0,0]=4 524 B14R2.1416 COC1=C(Br)C=C2C(=O)CCC2=C1 F52781 [0,1,0,1,0,0|1,0,0]=3 525 B14R2.1416 COC1=C(F)C=C2C(=O)CCC2=C1 Y10478 [0,1,0,1,0,0|1,0,0]=3 526 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 71771 [0,1,0,1,0,0|1,0,0]=3 527 B14R2.1802 COC1=C(Br)C2=C(C=C1)C(=O)CC2 78043 [0,1,0,1,0,0|1,0,0]=3 528 B14R2.1802 COC1=C(Cl)C2=C(C=C1)C(=O)CC2 N10555 [0,1,0,1,0,0|1,0,0]=3 529 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [1,0,0,0,1,0|1,0,0]=3 530 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [1,0,0,0,1,0|2,0,0]=4 531 B10R1.31 COC1=NOC(C(C)=O)=C1 98350 [1,0,0,0,1,0|2,0,0]=4 532 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [1,0,0,0,1,0|1,0,0]=3 533 B10R1.14 COC(=O)C1=CC(C)=NO1 W10289 [1,0,0,0,1,0|2,0,0]=4 534 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [1,0,0,0,1,0|2,0,0]=4 535 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [1,0,0,0,1,0|2,0,0]=4 536 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [1,0,0,0,1,0|2,0,0]=4 537 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [1,0,0,0,1,0|2,0,0]=4 538 B10R1.14 COC(=O)C1=CC(O)=NN1 F30450 [1,0,0,0,1,0|2,0,0]=4 539 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [1,0,0,0,1,0|2,0,0]=4 540 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [1,0,0,0,1,0|2,0,0]=4 541 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [1,0,0,0,1,0|2,0,0]=4 542 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [1,0,0,0,1,0|2,0,0]=4 543 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [1,0,0,0,1,0|1,0,0]=3 544 B10R1.14 COC(=O)C1=CN(C)N=C1 F17310 [1,0,0,0,1,0|2,0,0]=4 545 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [1,0,0,0,1,0|2,0,0]=4 546 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [1,0,0,0,1,0|2,0,0]=4 547 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [1,0,0,0,1,0|1,0,0]=3 548 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [1,0,0,0,1,0|2,0,0]=4 549 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [1,0,0,0,1,0|2,0,0]=4 550 B10R1.14 COC(=O)C1=NNC(O)=C1 64189 [1,0,0,0,1,0|2,0,0]=4 551 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [1,0,0,0,0,1|2,0,0]=4 552 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [1,0,0,0,0,1|2,0,0]=4 553 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [1,0,0,0,0,1|1,0,0]=3 554 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [1,0,0,0,0,1|2,0,0]=4 555 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [1,0,0,0,0,1|1,0,0]=3 556 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [1,0,0,0,0,1|2,0,0]=4 557 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [1,0,0,0,0,1|1,0,0]=3 558 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [1,0,0,0,0,1|2,0,0]=4 559 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [1,0,0,0,0,1|2,0,0]=4 560 B12R1.435 C#CC1=NC=CC(C(=O)OC)=C1 C72023 [0,0,0,0,1,1|1,0,1]=4 561 B12R1.435 C=CC1=CC=CC(C(=O)OC)=C1 D70627 [0,0,0,0,1,1|1,0,1]=4 562 B12R1.435 C=CC1=NC=CC(C(=O)OC)=C1 AT24831 [0,0,0,0,1,1|1,0,1]=4 563 B12R1.435 CCC1=CC=CC(C(=O)OC)=N1 87881 [0,0,0,0,1,1|2,0,0]=4 564 B12R1.435 CNC1=CC(C(=O)OC)=CN=C1 AC2444 [0,0,0,0,1,1|1,0,0]=3 565 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 95192 [0,0,0,0,1,1|2,0,0]=4 566 B12R1.435 COC(=O)C1=CC(CCl)=CN=C1 D82677 [0,0,0,0,1,1|2,0,0]=4 567 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 83064 [0,0,0,0,1,1|2,0,0]=4 568 B12R1.435 COC(=O)C1=CC(CO)=NC=C1 66246 [0,0,0,0,1,1|2,0,0]=4 569 B12R1.435 COC(=O)C1=CC(NN)=CC=C1 Y14662 [0,0,0,0,1,1|2,0,0]=4 570 B12R1.435 COC(=O)C1=CN=CC(C#N)=C1 AB9682 [0,0,0,0,1,1|2,0,0]=4 571 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 P16250 [0,0,0,0,1,1|2,0,0]=4 572 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C72063 [0,0,0,0,1,1|2,0,0]=4 573 B12R1.435 COC(=O)C1=NC=CC(C#N)=C1 79688 [0,0,0,0,1,1|2,0,0]=4 574 B12R1.435 COC(=O)C1=NC=CC(C=O)=C1 C76018 [0,0,0,0,1,1|2,0,0]=4 575 B12R1.435 COC(=O)C1=NC=CC(CCl)=C1 P16244 [0,0,0,0,1,1|2,0,0]=4 576 B12R1.435 COC1=CC(C(=O)CBr)=NC=C1 D79755 [0,0,0,0,1,1|2,0,0]=4 577 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 AC2398 [0,0,0,0,0,2|1,0,1]=4 578 B14R1.5 CCC(=O)\C=C\C1=CC=C(OC)C=C1 C71174 [0,0,0,0,0,2|1,0,0]=3 579 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 F11025 [0,0,0,0,0,2|0,0,0]=2 580 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 73373 [0,0,0,0,0,2|2,0,0]=4