0 B13R2.435 CC(=O)C1=CN2C=CC=CC2=N1 72371 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 25646 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.435 FC(F)C1=CC2=C(N=CC=C2)N1 P12368 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 P15923 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 NC(=O)C1=NN2C=CC=CC2=C1 F52742 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 D97587 [0,0,0,0,0,0|1,1,0]=2 8 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 37347 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 81378 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 87399 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 87593 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P11993 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.435 O=C(O)C1=CC2=C(CCCC2)N1 AB9986 [0,0,0,0,0,0|0,0,4]=4 15 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P11142 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 68599 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 L10193 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [0,0,0,0,0,0|1,0,1]=2 19 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 P17966 [0,0,0,0,0,0|1,0,2]=3 21 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 20910 [0,0,0,0,0,0|1,0,2]=3 22 B13R2.435 O=[N+]([O-])C1=CC2=C(C=CC=C2)O1 A12428 [0,0,0,0,0,0|2,0,1]=3 23 B13R2.435 OB(O)C1=CC2=C(N=CC=C2)N1 P15276 [0,0,0,0,0,0|2,0,1]=3 24 B12R2.32 N#CC1=NC2=C(C=CC=C2)N1 83393 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 25413 [1,0,0,0,0,0|1,0,1]=3 26 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.32 NCC1=CC2=CC=CN=C2N1 P14676 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.32 O=CC1=CC2=C(C=CC=N2)N1 24171 [1,0,0,0,0,0|1,0,0]=2 29 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 P11151 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 69373 [1,0,0,0,0,0|1,0,0]=2 31 B12R2.32 O=CC1=CC2=C(C=CN=C2)S1 W19264 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 F53415 [1,0,0,0,0,0|1,0,0]=2 33 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 83174 [1,0,0,0,0,0|1,0,0]=2 34 B12R2.32 O=CC1=CC2=CC=CN=C2S1 F30586 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.32 O=CC1=CN2C=CC=CC2=N1 20279 [1,0,0,0,0,0|1,0,1]=3 36 B12R2.32 OCC1=CC2=C(C=CC=N2)N1 79325 [1,0,0,0,0,0|1,0,1]=3 37 B12R2.32 OCC1=CC2=C(C=NC=C2)N1 79396 [1,0,0,0,0,0|1,0,1]=3 38 B12R2.32 OCC1=CC2=C(N=CN=C2)N1 P14462 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.32 OCC1=CC2=CC=CN=C2S1 79394 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.32 OCC1=CN2C=CC=CC2=N1 67421 [1,0,0,0,0,0|1,0,2]=4 41 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [1,0,0,0,0,0|0,0,3]=4 42 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [1,0,0,0,0,0|0,0,3]=4 43 B14R2.450 CC1=C(B(O)O)OC2=C1C=CC=C2 F20058 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CC=C2 P11863 [0,1,0,0,0,0|1,0,0]=2 45 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 C15271 [0,1,0,0,0,0|1,0,0]=2 46 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 D96951 [0,1,0,0,0,0|1,0,0]=2 47 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 96691 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.450 NC1=C(C(=O)O)SC2=NC=NC=C21 31389 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.450 O=C(O)C1=C(Br)C2=C(N=CC=C2)S1 93478 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.450 O=C(O)C1=C(Br)C2=NC=CC=C2S1 P19219 [0,1,0,0,0,0|2,0,0]=3 51 B14R2.450 O=C(O)C1=C(Br)C2=NC=CN=C2S1 92795 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.450 O=C(O)C1=C(Br)N2C=CC=CC2=N1 59882 [0,1,0,0,0,0|1,0,1]=3 53 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C76764 [0,1,0,0,0,0|1,0,0]=2 54 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)S1 A10591 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.450 O=C(O)C1=NN2C=CC=CC2=C1Br 73518 [0,1,0,0,0,0|1,0,1]=3 56 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 69397 [0,1,0,0,0,0|1,0,0]=2 57 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 P11324 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 P12243 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 55316 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.972 COC(=O)C1=CN2N=CC=CC2=C1 L10158 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 Y10077 [0,1,0,0,0,0|1,0,0]=2 62 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 AC2381 [0,1,0,0,0,0|1,0,2]=4 63 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 20722 [0,1,0,0,0,0|0,0,2]=3 64 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 W19465 [0,1,0,0,0,0|0,0,2]=3 65 B14R2.3129 FC(F)(F)C1=CC2=C(C=CC=C2)N1 33573 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.4529 CC(=O)C1=NC2=C(C=C(Br)C=C2)N1 F18230 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 36036 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)S2 72139 [0,1,0,0,0,0|1,0,1]=3 69 B14R2.4529 CC1=CC2=C(C=C1)OC(B(O)O)=C2 C14791 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.4529 CC1=CC2=C(C=N1)NC(C(=O)O)=C2 I10573 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.4529 CC1=CC2=C(N=C1)NC(C(=O)O)=C2 P16127 [0,1,0,0,0,0|1,0,0]=2 72 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 P12728 [0,1,0,0,0,0|1,0,0]=2 73 B14R2.4529 CC1=NC2=C(C=C1)OC(C(=O)O)=C2 W19720 [0,1,0,0,0,0|2,0,0]=3 74 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Br)=C2)N1 W18188 [0,1,0,0,0,0|1,0,0]=2 75 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 33854 [0,1,0,0,0,0|0,0,0]=1 76 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 C15800 [0,1,0,0,0,0|1,0,0]=2 77 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 P12339 [0,1,0,0,0,0|1,0,0]=2 78 B14R2.4529 NC1=CN2C=C(C(=O)O)N=C2C=C1 68922 [0,1,0,0,0,0|1,0,1]=3 79 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 87196 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 66237 [0,1,0,0,0,0|1,0,0]=2 81 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 O11593 [0,1,0,0,0,0|1,0,0]=2 82 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 62484 [0,1,0,0,0,0|0,0,0]=1 83 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 AC2155 [0,1,0,0,0,0|1,0,0]=2 84 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)S1 12913 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 W10186 [0,1,0,0,0,0|1,0,0]=2 86 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 82246 [0,1,0,0,0,0|0,0,0]=1 87 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 Y11630 [0,1,0,0,0,0|1,0,0]=2 88 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 37259 [0,1,0,0,0,0|1,0,0]=2 89 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 82211 [0,1,0,0,0,0|2,0,0]=3 90 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 73384 [0,1,0,0,0,0|1,0,0]=2 91 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 P11143 [0,1,0,0,0,0|1,0,0]=2 92 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)C=C2N1 27545 [0,1,0,0,0,0|1,0,0]=2 93 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 38594 [0,1,0,0,0,0|1,0,0]=2 94 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 38418 [0,1,0,0,0,0|1,0,0]=2 95 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=C1 55174 [0,1,0,0,0,0|2,0,0]=3 96 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=NC2=N1 C13925 [0,1,0,0,0,0|2,0,1]=4 97 B14R2.4529 O=C(O)C1=CN2C=C(O)C=CC2=N1 F52637 [0,1,0,0,0,0|1,0,1]=3 98 B14R2.4529 O=C(O)C1=CN2C=CC(Cl)=CC2=N1 68914 [0,1,0,0,0,0|1,0,1]=3 99 B14R2.4529 O=C(O)C1=CN2C=CC(F)=CC2=N1 68913 [0,1,0,0,0,0|1,0,1]=3 100 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)S1 28145 [0,1,0,0,0,0|1,0,1]=3 101 B14R2.4529 O=C(O)C1=NC2=C(C=C(Cl)C=C2)S1 27027 [0,1,0,0,0,0|1,0,1]=3 102 B14R2.4529 O=C(O)C1=NC2=C(C=C(F)C=C2)O1 D96822 [0,1,0,0,0,0|1,0,1]=3 103 B14R2.4529 O=C(O)C1=NC2=C(C=C(O)C=C2)N1 P16499 [0,1,0,0,0,0|1,0,0]=2 104 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 FD7078 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 37541 [0,1,0,0,0,0|1,0,1]=3 106 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 P11146 [0,1,0,0,0,0|1,0,1]=3 107 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=NC2=C1 P17756 [0,1,0,0,0,0|2,0,1]=4 108 B14R2.4529 O=C(O)C1=NN2C=CC(Cl)=CC2=N1 P17807 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.4529 O=C([O-])C1=NC2=C(C=C(Br)C=C2)S1 P18497 [0,1,0,0,0,0|1,0,2]=4 110 B14R2.4529 O=C([O-])C1=NC2=C(C=CC(Cl)=C2)O1 AT24296 [0,1,0,0,0,0|1,0,2]=4 111 B14R2.4529 O=C([O-])C1=NC2=C(C=CC(Cl)=C2)S1 50022 [0,1,0,0,0,0|1,0,2]=4 112 B14R2.4529 O=C([O-])C1=NC2=C(C=CC(F)=C2)O1 D79234 [0,1,0,0,0,0|1,0,2]=4 113 B14R2.4529 OB(O)C1=CC2=C(C=CC(Cl)=C2)O1 C74153 [0,1,0,0,0,0|2,0,1]=4 114 B14R2.4529 OB(O)C1=CC2=C(C=CC(F)=C2)O1 C10183 [0,1,0,0,0,0|2,0,1]=4 115 B14R2.7969 CC(=O)C1=CC2=C(O1)C(O)=CC=C2 D73244 [0,1,0,0,0,0|2,0,0]=3 116 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 25669 [0,1,0,0,0,0|0,0,0]=1 117 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 C73325 [0,1,0,0,0,0|1,0,0]=2 118 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 63672 [0,1,0,0,0,0|1,0,0]=2 119 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)S2 72137 [0,1,0,0,0,0|1,0,1]=3 120 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 74917 [0,1,0,0,0,0|0,0,0]=1 121 B14R2.7969 NC(=O)C1=CC2=C(Br)C=NC=C2S1 91328 [0,1,0,0,0,0|3,0,0]=4 122 B14R2.7969 NC1=CC=CC2=C1C=C(C(=O)O)S2 D96953 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CN=C2N1 P12153 [0,1,0,0,0,0|1,0,0]=2 124 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 F13713 [0,1,0,0,0,0|1,0,0]=2 125 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 W18097 [0,1,0,0,0,0|2,0,0]=3 126 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 80920 [0,1,0,0,0,0|1,0,0]=2 127 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 57193 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 P15443 [0,1,0,0,0,0|1,0,0]=2 129 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 48732 [0,1,0,0,0,0|0,0,0]=1 130 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 27578 [0,1,0,0,0,0|2,0,0]=3 131 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 53012 [0,1,0,0,0,0|3,0,0]=4 132 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 SC2471 [0,1,0,0,0,0|3,0,0]=4 133 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2S1 F13950 [0,1,0,0,0,0|1,0,0]=2 134 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 P11517 [0,1,0,0,0,0|2,0,0]=3 135 B14R2.7969 O=C(O)C1=CN2C(Br)=CN=CC2=N1 D80320 [0,1,0,0,0,0|2,0,1]=4 136 B14R2.7969 O=C(O)C1=CN2C(F)=CC=CC2=N1 68918 [0,1,0,0,0,0|1,0,1]=3 137 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=N1 68909 [0,1,0,0,0,0|1,0,1]=3 138 B14R2.7969 O=C(O)C1=CN2C=CC=C(F)C2=N1 68907 [0,1,0,0,0,0|1,0,1]=3 139 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2F)S1 76118 [0,1,0,0,0,0|1,0,1]=3 140 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 P13259 [0,1,0,0,0,0|1,0,1]=3 141 B14R2.7969 O=C(O)C1=NN2C=CC=C(Cl)C2=C1 P18119 [0,1,0,0,0,0|1,0,1]=3 142 B14R2.7969 O=C(O)C1=NN2C=CC=C(F)C2=C1 W16544 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,0,1,0,0,0|0,0,2]=3 144 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,0,1,0,0,0|2,0,0]=3 145 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,0,1,0,0,0|0,0,2]=3 146 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,0,1,0,0,0|1,0,2]=4 147 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,0,1,0,0,0|1,0,0]=2 148 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,0,1,0,0,0|1,0,2]=4 149 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,0,1,0,0,0|1,0,1]=3 150 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 W18706 [0,0,1,0,0,0|2,0,1]=4 151 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 W14888 [0,0,0,0,1,0|2,0,0]=3 152 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 61268 [0,0,0,0,1,0|1,0,0]=2 153 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 F12380 [0,0,0,0,1,0|2,0,0]=3 154 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 C76478 [0,0,0,0,1,0|3,0,0]=4 155 B14R2.768 CN(C)CC1=CC2=C(C=CC=C2)N1 F52720 [0,0,0,0,0,1|3,0,0]=4 156 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 24899 [0,0,0,0,0,1|0,0,0]=1 157 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 25903 [0,0,0,0,0,1|1,0,0]=2 158 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 C76425 [0,0,0,0,0,1|1,0,0]=2 159 B14R2.768 O=C(O)CC1=NN2C=CC=CC2=C1 AC3646 [0,0,0,0,0,1|1,0,1]=3 160 B14R2.768 O=C([O-])CC1=NC2=C(C=CC=C2)O1 69165 [0,0,0,0,0,1|1,0,2]=4 161 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=N1 78893 [0,0,0,0,0,1|1,0,1]=3 162 B14R2.781 CC(=O)C1=CC2=CC=NC=C2C=C1 72316 [0,0,0,0,0,1|3,0,0]=4 163 B14R2.781 CC(=O)C1=CC2=CN=CC=C2C=C1 78509 [0,0,0,0,0,1|3,0,0]=4 164 B14R2.781 CC(=O)C1=NC2=CC=CC=C2C=C1 F30326 [0,0,0,0,0,1|1,0,1]=3 165 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2C=C1 R10069 [0,0,0,0,0,1|2,0,1]=4 166 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2C=C1 T72566 [0,0,0,0,0,1|2,0,1]=4 167 B14R2.781 N=C(N)C1=CC2=CC=CC=C2C=N1 I11900 [0,0,0,0,0,1|2,0,1]=4 168 B14R2.781 N=C(N)C1=NC2=CC=CC=C2C=C1 W12202 [0,0,0,0,0,1|2,0,1]=4 169 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=N1 11947 [0,0,0,0,0,1|1,0,1]=3 170 B14R2.781 NC(=O)C1=CC2=CC=NC=C2C=C1 O11834 [0,0,0,0,0,1|3,0,0]=4 171 B14R2.781 NC(=O)C1=NC2=CC=CC=C2C=C1 D83418 [0,0,0,0,0,1|1,0,1]=3 172 B14R2.781 O=C(Cl)C1=CC2=CC=CN=C2C=C1 AR3746 [0,0,0,0,0,1|3,0,0]=4 173 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 C71198 [0,0,0,0,0,1|1,0,1]=3 174 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 62874 [0,0,0,0,0,1|2,0,0]=3 175 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 C13312 [0,0,0,0,0,1|1,0,1]=3 176 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 H10545 [0,0,0,0,0,1|2,0,0]=3 177 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 K10111 [0,0,0,0,0,1|1,0,1]=3 178 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 CS1518 [0,0,0,0,0,1|3,0,0]=4 179 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 A11739 [0,0,0,0,0,1|1,0,1]=3 180 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 37066 [0,0,0,0,0,1|3,0,0]=4 181 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 P10420 [0,0,0,0,0,1|1,0,1]=3 182 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 H10544 [0,0,0,0,0,1|1,0,1]=3 183 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66619 [0,0,0,0,0,1|0,0,2]=3 184 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66629 [0,0,0,0,0,1|0,0,2]=3 185 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [0,0,0,0,0,1|1,0,2]=4 186 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [0,0,0,0,0,1|1,0,2]=4 187 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 34030 [0,0,0,0,0,1|1,0,2]=4 188 B14R2.781 O=[N+]([O-])C1=CC2=CC=CC=C2N=C1 O11041 [0,0,0,0,0,1|1,0,2]=4 189 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [1,0,1,0,0,0|1,0,1]=4 190 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [1,0,1,0,0,0|1,0,1]=4 191 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [1,0,1,0,0,0|1,0,1]=4 192 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [1,0,1,0,0,0|2,0,0]=4 193 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [1,0,1,0,0,0|2,0,0]=4 194 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [1,0,1,0,0,0|1,0,1]=4 195 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [1,0,1,0,0,0|1,0,0]=3 196 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [2,0,0,0,0,0|2,0,0]=4 197 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 C13692 [2,0,0,0,0,0|2,0,0]=4 198 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 74877 [2,0,0,0,0,0|2,0,0]=4 199 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [2,0,0,0,0,0|1,0,1]=4 200 B11R2.10 CC1=CC2=C(C=CN=C2)N1 36232 [2,0,0,0,0,0|1,0,1]=4 201 B11R2.10 CC1=CC2=C(C=NC=C2)N1 64428 [2,0,0,0,0,0|1,0,1]=4 202 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [2,0,0,0,0,0|1,0,1]=4 203 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [2,0,0,0,0,0|1,0,0]=3 204 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [2,0,0,0,0,0|1,0,0]=3 205 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [2,0,0,0,0,0|2,0,0]=4 206 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [2,0,0,0,0,0|2,0,0]=4 207 B11R2.10 IC1=CC2=C(C=CN=C2)N1 I10139 [2,0,0,0,0,0|2,0,0]=4 208 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [2,0,0,0,0,0|2,0,0]=4 209 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [2,0,0,0,0,0|1,0,1]=4 210 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [2,0,0,0,0,0|2,0,0]=4 211 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [2,0,0,0,0,0|2,0,0]=4 212 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [2,0,0,0,0,0|2,0,0]=4 213 B11R2.10 OC1=CN2C=CC=CC2=N1 36322 [2,0,0,0,0,0|1,0,1]=4 214 B11R2.10 OC1=NN2C=CC=CC2=C1 82700 [2,0,0,0,0,0|1,0,1]=4 215 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O D95596 [0,1,1,0,0,0|1,0,0]=3 216 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [0,1,1,0,0,0|1,0,1]=4 217 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,1,1,0,0,0|1,0,0]=3 218 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,1,1,0,0,0|0,0,2]=4 219 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16900 [0,1,1,0,0,0|0,0,2]=4 220 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 Y10907 [0,1,1,0,0,0|0,0,2]=4 221 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Y10908 [0,1,1,0,0,0|0,0,2]=4 222 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O A50209 [0,1,1,0,0,0|0,0,2]=4 223 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 C15825 [0,1,1,0,0,0|1,0,1]=4 224 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13384 [0,1,1,0,0,0|0,0,2]=4 225 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 76517 [0,1,1,0,0,0|0,0,2]=4 226 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,1,1,0,0,0|0,0,2]=4 227 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,1,1,0,0,0|0,0,2]=4 228 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O Y12459 [0,1,1,0,0,0|0,0,2]=4 229 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O I10720 [0,1,1,0,0,0|0,0,2]=4 230 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y10472 [0,1,1,0,0,0|0,0,2]=4 231 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O Y11730 [0,1,1,0,0,0|0,0,2]=4 232 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32246 [0,1,1,0,0,0|0,0,2]=4 233 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10695 [0,1,1,0,0,0|0,0,2]=4 234 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1F F16447 [0,1,1,0,0,0|1,0,0]=3 235 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 35674 [0,1,1,0,0,0|1,0,0]=3 236 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Cl)C=C1 22238 [0,1,1,0,0,0|1,0,0]=3 237 B13R1.528 COC(=O)\C=C\C1=C(C)C=CC=C1 W11677 [0,1,1,0,0,0|1,0,0]=3 238 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 W11676 [0,1,1,0,0,0|1,0,0]=3 239 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 S10571 [0,1,1,0,0,0|0,0,0]=2 240 B13R1.893 O=C(O)\C=C\C1=C(O)C=CC(O)=C1 A11070 [0,1,1,0,0,0|1,0,0]=3 241 B13R2.26 NCCC1=CC2=C(C=CC=C2)N1 F13295 [1,1,0,0,0,0|1,0,1]=4 242 B13R2.43 CC1=CC2=C(C=C1)C=C(C#N)N2 C72874 [1,1,0,0,0,0|1,0,1]=4 243 B13R2.43 CC1=CC2=C(C=C1)N=C(CO)N2 71346 [1,1,0,0,0,0|1,0,1]=4 244 B13R2.43 CC1=CC2=C(C=C1)NC(C#N)=C2 A12085 [1,1,0,0,0,0|1,0,1]=4 245 B13R2.43 N#CC1=CC2=C(C=C(O)C=C2)N1 69489 [1,1,0,0,0,0|1,0,1]=4 246 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)N1 P10395 [1,1,0,0,0,0|0,0,0]=2 247 B13R2.43 O=CC1=CC2=C(C=C(Cl)C=C2)N1 27099 [1,1,0,0,0,0|0,0,0]=2 248 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)N1 25706 [1,1,0,0,0,0|0,0,0]=2 249 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 D75718 [1,1,0,0,0,0|1,0,0]=3 250 B13R2.43 O=CC1=CN2C=C(Br)C=CC2=N1 73475 [1,1,0,0,0,0|1,0,1]=4 251 B13R2.43 O=CC1=CN2C=CC(Br)=CC2=N1 38439 [1,1,0,0,0,0|1,0,1]=4 252 B13R2.43 O=CC1=NC2=C(C=C(Br)C=C2)O1 F13897 [1,1,0,0,0,0|1,0,1]=4 253 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 20296 [1,1,0,0,0,0|1,0,0]=3 254 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)N1 C77160 [1,1,0,0,0,0|0,0,1]=3 255 B13R2.43 OCC1=CC2=C(C=C(Cl)C=C2)S1 72199 [1,1,0,0,0,0|1,0,1]=4 256 B13R2.43 OCC1=NC2=C(C=C(Cl)C=C2)N1 A12768 [1,1,0,0,0,0|1,0,1]=4 257 B13R2.45 CC1=C(C#N)NC2=C1C=CC=C2 F11746 [1,1,0,0,0,0|1,0,1]=4 258 B13R2.45 CC1=C(C=O)N=C2C=CC=CN21 72019 [1,1,0,0,0,0|1,0,1]=4 259 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 C13632 [1,1,0,0,0,0|0,0,0]=2 260 B13R2.45 CN1C(C=O)=NC2=C1C=CC=N2 D83620 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 D70659 [1,1,0,0,0,0|1,0,1]=4 262 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 W10516 [1,1,0,0,0,0|1,0,1]=4 263 B13R2.45 N#CC1=C(Cl)C2=C(C=CC=C2)N1 C76397 [1,1,0,0,0,0|1,0,1]=4 264 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)O1 W18830 [1,1,0,0,0,0|1,0,0]=3 265 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 FD7228 [1,1,0,0,0,0|1,0,0]=3 266 B13R2.54 CC1=CC=CC2=NC(C=O)=CN12 71530 [1,1,0,0,0,0|1,0,1]=4 267 B13R2.54 N#CC1=CC2=C(Br)C=CC=C2N1 O11163 [1,1,0,0,0,0|1,0,1]=4 268 B13R2.54 N#CC1=CC2=C(Cl)C=CC=C2N1 O11198 [1,1,0,0,0,0|1,0,1]=4 269 B13R2.54 N#CC1=CC2=CC=CC(Cl)=C2N1 C72106 [1,1,0,0,0,0|1,0,1]=4 270 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2N1 C72474 [1,1,0,0,0,0|0,0,0]=2 271 B13R2.54 O=CC1=CC2=C(Br)C=CC=C2S1 W19304 [1,1,0,0,0,0|1,0,0]=3 272 B13R2.54 O=CC1=CC2=C(Br)C=CN=C2N1 P16582 [1,1,0,0,0,0|1,0,0]=3 273 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)N1 D80237 [1,1,0,0,0,0|1,0,0]=3 274 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)O1 W19386 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.54 O=CC1=CC2=C(C=CN=C2Cl)S1 C90273 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.54 O=CC1=CC2=C(C=CN=C2F)N1 P20058 [1,1,0,0,0,0|1,0,0]=3 277 B13R2.54 O=CC1=CC2=C(C=CNC2=O)O1 W16861 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.54 O=CC1=CC2=C(Cl)C=CC=C2N1 72070 [1,1,0,0,0,0|0,0,0]=2 279 B13R2.54 O=CC1=CC2=CC=CC(Cl)=C2S1 W19231 [1,1,0,0,0,0|1,0,0]=3 280 B13R2.54 O=CC1=CC2=CN=CC(I)=C2O1 AC2181 [1,1,0,0,0,0|2,0,0]=4 281 B13R2.54 O=CC1=CC2=NC=CC(Cl)=C2S1 P11518 [1,1,0,0,0,0|2,0,0]=4 282 B13R2.54 O=CC1=CN2C(Cl)=CC=CC2=N1 D76138 [1,1,0,0,0,0|1,0,1]=4 283 B13R2.54 OCC1=CC2=CC=CC(Br)=C2S1 AT26033 [1,1,0,0,0,0|1,0,1]=4 284 B13R2.54 OCC1=NC2=C(O)C=CC=C2N1 AC1451 [1,1,0,0,0,0|1,0,1]=4 285 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 O10724 [0,1,0,0,1,0|1,0,0]=3 286 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 F20567 [0,1,0,0,1,0|2,0,0]=4 287 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 30265 [0,1,0,0,1,0|1,0,0]=3 288 B13R2.531 COC(=O)C1=CC2=CSC=C2S1 C72778 [0,1,0,0,1,0|2,0,0]=4 289 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CO2 C90707 [0,1,0,0,1,0|1,0,0]=3 290 B15R2.629 CN1C(CC(=O)O)=CC2=C1C=CC=C2 W10778 [0,1,0,0,0,1|0,0,0]=2 291 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O C15725 [0,1,0,0,0,1|2,0,0]=4 292 B15R2.1569 COC(=O)C[C@H]1CC2=C(C=CC=C2)N1 D95150 [0,1,0,0,0,1|0,0,2]=4 293 B15R2.7252 CC1=CN2C=C(CC(=O)O)N=C2C=C1 F13051 [0,1,0,0,0,1|1,0,1]=4 294 B15R2.7252 O=C(O)CC1=CN2C=C(Br)C=CC2=N1 96166 [0,1,0,0,0,1|1,0,1]=4 295 B15R2.13461 O=C(O)CC1=NC2=C(Cl)C=CC=C2S1 83822 [0,1,0,0,0,1|1,0,1]=4 296 B15R2.627 O=C(O)C1=C(O)C2=NC=CC=C2C=C1 62329 [0,1,0,0,0,1|2,0,0]=4 297 B15R2.627 O=C(O)C1=C(O)C2=NC=CC=C2N=C1 64519 [0,1,0,0,0,1|1,0,1]=4 298 B15R2.627 O=C(O)C1=COC2=C(C=CC=C2)C1=O A12476 [0,1,0,0,0,1|1,0,0]=3 299 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)NC1=O 72022 [0,1,0,0,0,1|1,0,0]=3 300 B15R2.984 CC(=O)C1=CC2=C(C=CN=C2)NC1=O 79617 [0,1,0,0,0,1|2,0,0]=4 301 B15R2.984 CC(=O)C1=CC2=CC=CC=C2C=C1O W11378 [0,1,0,0,0,1|2,0,0]=4 302 B15R2.984 CC1=NC2=CC=CC=C2C=C1C(=O)O 88467 [0,1,0,0,0,1|0,0,1]=3 303 B15R2.984 CC1=NC2=CC=CC=C2N=C1C(=O)O C76365 [0,1,0,0,0,1|0,0,1]=3 304 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1N C74429 [0,1,0,0,0,1|2,0,0]=4 305 B15R2.984 NC1=CC2=CC=CC=C2N=C1C(=O)O O10947 [0,1,0,0,0,1|0,0,1]=3 306 B15R2.984 NC1=NC2=CC=CC=C2C=C1C(=O)O AC1535 [0,1,0,0,0,1|0,0,1]=3 307 B15R2.984 O=C(Cl)C1=CC2=CC=CC=C2N=C1Cl 30266 [0,1,0,0,0,1|1,0,1]=4 308 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1I W19073 [0,1,0,0,0,1|1,0,0]=3 309 B15R2.984 O=C(O)C1=CC2=CC=CN=C2NC1=O Y10350 [0,1,0,0,0,1|1,0,0]=3 310 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1O D83313 [0,1,0,0,0,1|0,0,1]=3 311 B15R2.984 O=C(O)C1=NC2=CC=CC=C2N=C1Cl 59685 [0,1,0,0,0,1|0,0,1]=3 312 B15R2.1601 C=CC(=O)C1=CC2=CC=CC=C2C=C1 42547 [0,1,0,0,0,1|2,0,0]=4 313 B15R2.1601 CCC(=O)C1=CC2=CC=CC=C2C=C1 Y11687 [0,1,0,0,0,1|2,0,0]=4 314 B15R2.1601 COC(=O)C1=CC2=C(C=CC=C2)CC1 W11170 [0,1,0,0,0,1|1,0,0]=3 315 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 52869 [0,1,0,0,0,1|0,0,1]=3 316 B15R2.1601 COC(=O)C1=CC2=NC=CC=C2C=C1 89034 [0,1,0,0,0,1|2,0,0]=4 317 B15R2.1601 COC(=O)C1=CC2=NC=CC=C2N=C1 87409 [0,1,0,0,0,1|1,0,1]=4 318 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=N1 W10783 [0,1,0,0,0,1|0,0,1]=3 319 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2N=C1 25867 [0,1,0,0,0,1|0,0,1]=3 320 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 F14149 [0,1,0,0,0,1|0,0,2]=4 321 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69677 [0,1,0,0,0,1|0,0,2]=4 322 B15R2.1601 O=CC(=O)C1=CC2=CC=CC=C2C=C1 23347 [0,1,0,0,0,1|1,0,1]=4 323 B15R2.7174 CC1=CC=C2C=CC(C(=O)O)=NC2=C1 71890 [0,1,0,0,0,1|0,0,1]=3 324 B15R2.7174 NC(=O)C1=CN=C2C=CC(Br)=CC2=C1 C72189 [0,1,0,0,0,1|1,0,1]=4 325 B15R2.7174 NC1=CC=C2C=CC(C(=O)O)=CC2=N1 D97531 [0,1,0,0,0,1|2,0,0]=4 326 B15R2.7174 NC1=CC=C2N=CC(C(=O)O)=CC2=C1 80385 [0,1,0,0,0,1|0,0,1]=3 327 B15R2.7174 NC1=CN=C2C=CC(C(=O)O)=CC2=C1 33245 [0,1,0,0,0,1|2,0,0]=4 328 B15R2.7174 NC1=NC=C2C=CC(C(=O)O)=CC2=C1 68509 [0,1,0,0,0,1|2,0,0]=4 329 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2C=C1 W17822 [0,1,0,0,0,1|1,0,0]=3 330 B15R2.7174 O=C(O)C1=CC2=CC(O)=CC=C2N=C1 80315 [0,1,0,0,0,1|0,0,1]=3 331 B15R2.7174 O=C(O)C1=CC2=CC(O)=CN=C2C=C1 33294 [0,1,0,0,0,1|2,0,0]=4 332 B15R2.7174 O=C(O)C1=CC2=NC(O)=CC=C2C=C1 CS1524 [0,1,0,0,0,1|2,0,0]=4 333 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=C1 C15879 [0,1,0,0,0,1|1,0,0]=3 334 B15R2.7174 O=C(O)C1=CC=C2C=CC(Br)=CC2=N1 27031 [0,1,0,0,0,1|0,0,1]=3 335 B15R2.7174 O=C(O)C1=CC=C2N=CC(Br)=CC2=C1 33290 [0,1,0,0,0,1|2,0,0]=4 336 B15R2.7174 O=C(O)C1=CN=C2C=CC(Br)=CC2=C1 69444 [0,1,0,0,0,1|0,0,1]=3 337 B15R2.7174 O=C(O)C1=NC=C2C=CC(Br)=CC2=C1 O11561 [0,1,0,0,0,1|0,0,1]=3 338 B15R2.7180 CC(=O)C1=CC2=CC=C(N)C=C2C=C1 81652 [0,1,0,0,0,1|2,0,0]=4 339 B15R2.7180 CC(=O)C1=CC=C2C=C(Br)C=CC2=C1 11591 [0,1,0,0,0,1|2,0,0]=4 340 B15R2.7180 CC(=O)C1=CC=C2C=C(F)C=CC2=C1 D83927 [0,1,0,0,0,1|2,0,0]=4 341 B15R2.7180 CC(=O)C1=CN=C2C=C(Br)C=CC2=C1 K10054 [0,1,0,0,0,1|1,0,1]=4 342 B15R2.7180 CC1=CC=C2N=C(C(=O)O)C=CC2=C1 72196 [0,1,0,0,0,1|0,0,1]=3 343 B15R2.7180 NC(=O)C1=CC=C2C=C(Br)C=CC2=C1 AB10406 [0,1,0,0,0,1|2,0,0]=4 344 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=NC2=C1 80391 [0,1,0,0,0,1|0,0,1]=3 345 B15R2.7180 NC1=CN=C2C=C(C(=O)O)C=NC2=C1 K10129 [0,1,0,0,0,1|1,0,1]=4 346 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2N=C1 80418 [0,1,0,0,0,1|0,0,1]=3 347 B15R2.7180 O=C(O)C1=CC2=CC=C(O)N=C2C=C1 K10089 [0,1,0,0,0,1|2,0,0]=4 348 B15R2.7180 O=C(O)C1=CC2=NC=C(O)C=C2C=C1 73670 [0,1,0,0,0,1|2,0,0]=4 349 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=N1 54791 [0,1,0,0,0,1|0,0,1]=3 350 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=NC2=C1 33234 [0,1,0,0,0,1|2,0,0]=4 351 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=NC2=N1 D85357 [0,1,0,0,0,1|1,0,1]=4 352 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=N1 50648 [0,1,0,0,0,1|0,0,1]=3 353 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=C1 78117 [0,1,0,0,0,1|1,0,0]=3 354 B15R2.7180 O=C(O)C1=CC=C2C=C(F)C=CC2=N1 80317 [0,1,0,0,0,1|0,0,1]=3 355 B15R2.7180 O=C(O)C1=CC=C2N=C(Br)C=CC2=C1 K10090 [0,1,0,0,0,1|2,0,0]=4 356 B15R2.7180 O=C(O)C1=CC=C2N=C(Cl)C=CC2=C1 80404 [0,1,0,0,0,1|2,0,0]=4 357 B15R2.7180 O=C(O)C1=CN=C2C=C(Br)C=CC2=C1 69420 [0,1,0,0,0,1|0,0,1]=3 358 B15R2.7180 O=C(O)C1=CN=C2C=C(F)C=CC2=C1 69422 [0,1,0,0,0,1|0,0,1]=3 359 B15R2.7180 O=C(O)C1=NC2=CC=C(O)C=C2C=C1 72248 [0,1,0,0,0,1|0,0,1]=3 360 B15R2.7180 O=C(O)C1=NC=C2C=C(Br)C=CC2=C1 27728 [0,1,0,0,0,1|0,0,1]=3 361 B15R2.7180 O=C(O)C1=NC=C2C=C(Cl)C=CC2=C1 50661 [0,1,0,0,0,1|0,0,1]=3 362 B15R2.7180 O=C(O)C1=NC=C2C=C(Cl)C=CC2=N1 50645 [0,1,0,0,0,1|0,0,1]=3 363 B15R2.7180 O=C(O)C1=NN=C2C=C(Cl)C=CC2=C1 50660 [0,1,0,0,0,1|0,0,1]=3 364 B15R2.7180 O=C(O)[C@@H]1CC2=C(C=C(O)C=C2)CN1 62401 [0,1,0,0,0,1|0,0,2]=4 365 B15R2.7180 O=C(O)[C@@H]1CC2=C(C=C(O)C=C2)CN1 76586 [0,1,0,0,0,1|0,0,2]=4 366 B15R2.7180 O=C(O)[C@@H]1CNC2=C(C=CC(Br)=C2)O1 77326 [0,1,0,0,0,1|1,0,1]=4 367 B15R2.7180 O=C(O)[C@@H]1CNC2=C(C=CC(Cl)=C2)O1 77327 [0,1,0,0,0,1|1,0,1]=4 368 B15R2.13598 NC1=C2C=CC(C(=O)O)=CC2=CC=N1 87794 [0,1,0,0,0,1|2,0,0]=4 369 B15R2.13598 NC1=C2N=CC(C(=O)O)=CC2=CC=C1 80389 [0,1,0,0,0,1|0,0,1]=3 370 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)C=CN2 C77278 [0,1,0,0,0,1|2,0,0]=4 371 B15R2.13598 O=C(O)C1=CC2=C(C=C1)C(=O)NC=C2 85202 [0,1,0,0,0,1|2,0,0]=4 372 B15R2.13598 O=C(O)C1=CC2=CC=CC(O)=C2N=C1 80419 [0,1,0,0,0,1|0,0,1]=3 373 B15R2.13598 O=C(O)C1=CC=C2C(=C1)C=CN=C2Cl 87798 [0,1,0,0,0,1|2,0,0]=4 374 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=N1 27619 [0,1,0,0,0,1|0,0,1]=3 375 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=N1 88974 [0,1,0,0,0,1|0,0,1]=3 376 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=NC2=C1 67577 [0,1,0,0,0,1|2,0,0]=4 377 B15R2.13598 O=C(O)C1=CN=C2C(Cl)=CC=CC2=C1 69459 [0,1,0,0,0,1|0,0,1]=3 378 B15R2.13598 O=C(O)C1=CN=C2C(Cl)=CC=NC2=C1 K10099 [0,1,0,0,0,1|1,0,1]=4 379 B15R2.13598 O=C(O)C1=CN=C2C(F)=CC=CC2=C1 69457 [0,1,0,0,0,1|0,0,1]=3 380 B15R2.14951 CC1=CC(C(=O)O)=NC2=CC=CC=C12 71379 [0,1,0,0,0,1|0,0,1]=3 381 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)N1 C14645 [0,1,0,0,0,1|0,0,0]=2 382 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 AC6743 [0,1,0,0,0,1|0,0,0]=2 383 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(Br)=C1 93808 [0,1,0,0,0,1|1,0,0]=3 384 B15R2.14951 O=C(O)C1=CC2=CC=CN=C2C(Br)=C1 P16870 [0,1,0,0,0,1|2,0,0]=4 385 B15R2.14951 O=C(O)C1=CC2=CC=CN=C2C(F)=C1 K10188 [0,1,0,0,0,1|2,0,0]=4 386 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Br)=C1 C73945 [0,1,0,0,0,1|0,0,1]=3 387 B15R2.14951 O=C1C[C@@H](C(=O)O)CC2=C1C=CC=C2 F51139 [0,1,0,0,0,1|1,0,1]=4 388 B15R2.14951 O=C1C[C@@H](C(=O)O)OC2=C1C=CC=C2 D78741 [0,1,0,0,0,1|1,0,1]=4 389 B15R2.61353 NC1=C2C=C(C(=O)O)C=CC2=NC=C1 80383 [0,1,0,0,0,1|2,0,0]=4 390 B15R2.61353 O=C(O)C1=CC2=C(C=CNC2=O)C=C1 D79743 [0,1,0,0,0,1|2,0,0]=4 391 B15R2.61353 O=C(O)C1=CC2=C(O)C=CC=C2N=C1 80318 [0,1,0,0,0,1|0,0,1]=3 392 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(Cl)C2=N1 80169 [0,1,0,0,0,1|0,0,1]=3 393 B15R2.61353 O=C(O)C1=CC=C2C=NC=C(Br)C2=C1 P15167 [0,1,0,0,0,1|2,0,0]=4 394 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Cl)C2=C1 80127 [0,1,0,0,0,1|2,0,0]=4 395 B15R2.61353 O=C(O)C1=CN=C2C=CC=C(Br)C2=C1 69464 [0,1,0,0,0,1|0,0,1]=3 396 B15R2.61353 O=C(O)C1=CN=C2C=CC=C(Cl)C2=C1 80319 [0,1,0,0,0,1|0,0,1]=3 397 B15R2.61353 O=C(O)C1=CN=C2C=CC=C(F)C2=C1 80320 [0,1,0,0,0,1|0,0,1]=3 398 B15R2.1592 COC(=O)C1=C(Br)C2=NC=CC=C2S1 P19218 [0,2,0,0,0,0|2,0,0]=4 399 B15R2.1592 COC(=O)C1=C(C)C2=C(C=NC=C2)S1 24402 [0,2,0,0,0,0|2,0,0]=4 400 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)O1 C75708 [0,2,0,0,0,0|1,0,0]=3 401 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=N2)O1 57127 [0,2,0,0,0,0|2,0,0]=4 402 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=N2)S1 22917 [0,2,0,0,0,0|2,0,0]=4 403 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CN=C2)S1 W17084 [0,2,0,0,0,0|2,0,0]=4 404 B15R2.1592 COC(=O)C1=C(N)C2=C(C=NC=C2)S1 W17083 [0,2,0,0,0,0|2,0,0]=4 405 B15R2.1592 COC(=O)C1=C(O)C2=C(C=CC=C2)N1 F53546 [0,2,0,0,0,0|0,0,0]=2 406 B15R2.1592 COC(=O)C1=CC2=C(C=CC=C2)N1C 64209 [0,2,0,0,0,0|0,0,0]=2 407 B15R2.1592 COC(=O)C1=NC2=C(C=CC=C2)N1C C15489 [0,2,0,0,0,0|1,0,0]=3 408 B15R2.1592 COC(=O)[C@@H]1CC2=C(C=CC=C2)C1=O 84725 [0,2,0,0,0,0|1,0,1]=4 409 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Br)C=C2 87130 [0,2,0,0,0,0|0,0,0]=2 410 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Cl)C=C2 87141 [0,2,0,0,0,0|0,0,0]=2 411 B15R2.7203 CC1=CN2C(=NC(C(=O)O)=C2C)C=C1 C71517 [0,2,0,0,0,0|1,0,1]=4 412 B15R2.7203 CN1C(C(=O)O)=CC2=C1C=C(Br)C=C2 P19914 [0,2,0,0,0,0|0,0,0]=2 413 B15R2.7203 CN1C(C(=O)O)=CC2=C1N=C(Cl)N=C2 P14383 [0,2,0,0,0,0|2,0,0]=4 414 B15R2.13463 CC1=C(C(=O)O)SC2=C(Cl)C=CC=C12 87251 [0,2,0,0,0,0|1,0,0]=3 415 B15R2.13463 CN1C(C(=O)O)=CC2=C1N=CN=C2Cl P12241 [0,2,0,0,0,0|2,0,0]=4 416 B15R2.13629 CC1=C(C(=O)O)SC2=C1C(F)=CC=C2 51659 [0,2,0,0,0,0|1,0,0]=3 417 B15R2.13629 CC1=C(C(=O)O)SC2=CC=CC(Cl)=C21 84251 [0,2,0,0,0,0|1,0,0]=3 418 B15R2.14758 CC1=CC2=NC(C(=O)O)=C(Br)N2C=C1 D95590 [0,2,0,0,0,0|1,0,1]=4 419 B15R2.14758 CC1=CC=C2C(=N1)SC(C(=O)O)=C2N AT10593 [0,2,0,0,0,0|2,0,0]=4 420 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 D78291 [0,2,0,0,0,0|1,0,0]=3 421 B15R2.14758 O=C(O)C1=C(O)C2=C(C=C(Cl)C=C2)S1 C72570 [0,2,0,0,0,0|1,0,0]=3 422 B15R2.1356 CCOC(=O)C1=CC2=C(N=CC=C2)N1 SC3721 [0,2,0,0,0,0|1,0,0]=3 423 B15R2.1356 CCOC(=O)C1=NN2C=CC=CC2=C1 F53432 [0,2,0,0,0,0|1,0,1]=4 424 B15R2.1590 COC(=O)C1=CC2=C(C=C(C)C=C2)O1 C76650 [0,2,0,0,0,0|1,0,0]=3 425 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=C2)N1 59969 [0,2,0,0,0,0|0,0,0]=2 426 B15R2.1590 COC(=O)C1=CC2=C(C=C(Cl)C=C2)S1 O11968 [0,2,0,0,0,0|1,0,0]=3 427 B15R2.1590 COC(=O)C1=CC2=C(C=C(F)C=C2)S1 98423 [0,2,0,0,0,0|1,0,0]=3 428 B15R2.1590 COC(=O)C1=CC2=C(C=C(N)C=C2)S1 P16447 [0,2,0,0,0,0|1,0,0]=3 429 B15R2.1590 COC(=O)C1=CC2=C(C=C(O)C=C2)N1 64726 [0,2,0,0,0,0|0,0,0]=2 430 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)O1 W18850 [0,2,0,0,0,0|1,0,0]=3 431 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)N1 C73227 [0,2,0,0,0,0|0,0,0]=2 432 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)O1 98429 [0,2,0,0,0,0|1,0,0]=3 433 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)O1 C11492 [0,2,0,0,0,0|1,0,0]=3 434 B15R2.1590 COC(=O)C1=CC2=C(C=CC(O)=C2)O1 P16754 [0,2,0,0,0,0|1,0,0]=3 435 B15R2.1590 COC(=O)C1=CC2=C(N=CC(N)=C2)N1 P10800 [0,2,0,0,0,0|1,0,0]=3 436 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2N1 37261 [0,2,0,0,0,0|1,0,0]=3 437 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2S1 82667 [0,2,0,0,0,0|2,0,0]=4 438 B15R2.1590 COC(=O)C1=CC2=CC(Cl)=CN=C2N1 SC3561 [0,2,0,0,0,0|1,0,0]=3 439 B15R2.1590 COC(=O)C1=CC2=CC(F)=CN=C2N1 37260 [0,2,0,0,0,0|1,0,0]=3 440 B15R2.1590 COC(=O)C1=CC2=CN=C(Cl)C=C2N1 P11908 [0,2,0,0,0,0|1,0,0]=3 441 B15R2.1590 COC(=O)C1=CC2=NC=C(Br)C=C2N1 37979 [0,2,0,0,0,0|1,0,0]=3 442 B15R2.1590 COC(=O)C1=CC2=NC=C(Cl)C=C2N1 38417 [0,2,0,0,0,0|1,0,0]=3 443 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)O1 C77292 [0,2,0,0,0,0|1,0,1]=4 444 B15R2.1590 COC(=O)C1=NC2=C(C=C(Br)C=C2)S1 51329 [0,2,0,0,0,0|1,0,1]=4 445 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Br)=C2)O1 F13819 [0,2,0,0,0,0|1,0,1]=4 446 B15R2.1590 COC(=O)C1=NC2=C(C=CC(C)=C2)O1 C74420 [0,2,0,0,0,0|1,0,1]=4 447 B15R2.1590 COC(=O)C1=NC2=C(C=CC(Cl)=C2)O1 I11727 [0,2,0,0,0,0|1,0,1]=4 448 B15R2.1590 COC(=O)C1=NC2=C(C=CC(N)=C2)N1 F31231 [0,2,0,0,0,0|1,0,0]=3 449 B15R2.1590 COC(=O)C1=NC2=C(C=CC(N)=C2)N1 Y10519 [0,2,0,0,0,0|1,0,0]=3 450 B15R2.1590 COC(=O)C1=NC2=C(C=CC(N)=C2)O1 F13780 [0,2,0,0,0,0|1,0,1]=4 451 B15R2.1590 COC(=O)[C@@H]1CC2=C(C=C(F)C=C2)N1 P20840 [0,2,0,0,0,0|0,0,2]=4 452 B15R2.1590 COC(=O)[C@@H]1CC2=C(C=C(N)C=C2)N1 64724 [0,2,0,0,0,0|0,0,2]=4 453 B15R2.1590 O=C(CBr)C1=CC2=C(C=CC(Br)=C2)O1 30224 [0,2,0,0,0,0|2,0,0]=4 454 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2N1 26335 [0,2,0,0,0,0|0,0,0]=2 455 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2N1 63410 [0,2,0,0,0,0|1,0,0]=3 456 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2C)N1 F52676 [0,2,0,0,0,0|0,0,0]=2 457 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2F)S1 73422 [0,2,0,0,0,0|1,0,0]=3 458 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2O)N1 D85318 [0,2,0,0,0,0|0,0,0]=2 459 B15R2.1598 COC(=O)C1=CC2=C(C=CN=C2Br)N1 63408 [0,2,0,0,0,0|1,0,0]=3 460 B15R2.1598 COC(=O)C1=CC2=C(C=CN=C2Cl)N1 69372 [0,2,0,0,0,0|1,0,0]=3 461 B15R2.1598 COC(=O)C1=CC2=C(C=CNC2=O)S1 D79384 [0,2,0,0,0,0|2,0,0]=4 462 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=NC=C2S1 57191 [0,2,0,0,0,0|2,0,0]=4 463 B15R2.1598 COC(=O)C1=CC2=C(F)C=CC=C2N1 F52675 [0,2,0,0,0,0|0,0,0]=2 464 B15R2.1598 COC(=O)C1=CC2=C(I)C=CC=C2S1 W18690 [0,2,0,0,0,0|1,0,0]=3 465 B15R2.1598 COC(=O)C1=CC2=C(N1)C(C)=CC=C2 AC2463 [0,2,0,0,0,0|0,0,0]=2 466 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2N1 26161 [0,2,0,0,0,0|0,0,0]=2 467 B15R2.1598 COC(=O)C1=CC2=CC=CC(Cl)=C2S1 C11353 [0,2,0,0,0,0|1,0,0]=3 468 B15R2.1598 COC(=O)C1=CC2=CC=CC(F)=C2N1 N10014 [0,2,0,0,0,0|0,0,0]=2 469 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2N1 P10811 [0,2,0,0,0,0|1,0,0]=3 470 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2S1 P12070 [0,2,0,0,0,0|2,0,0]=4 471 B15R2.1598 COC(=O)C1=NC2=C(Br)C=CC=C2O1 83044 [0,2,0,0,0,0|1,0,1]=4 472 B15R2.1102 CC1=C(F)C=C2NC(C(=O)O)=CC2=C1 50650 [0,2,0,0,0,0|0,0,0]=2 473 B15R2.1102 O=C(O)C1=CC2=C(C=C(O)C(O)=C2)N1 C10005 [0,2,0,0,0,0|0,0,0]=2 474 B15R2.1102 O=C(O)C1=CC2=CC(Br)=C(Cl)C=C2N1 O11380 [0,2,0,0,0,0|0,0,0]=2 475 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(=O)O)S2 28088 [0,2,0,0,0,0|1,0,1]=4 476 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=C2 89351 [0,2,0,0,0,0|1,0,0]=3 477 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=N2 F13843 [0,2,0,0,0,0|1,0,1]=4 478 B15R2.4834 COC1=CC2=CC(C(=O)O)=NN2C=C1 D96823 [0,2,0,0,0,0|1,0,1]=4 479 B15R2.4834 COC1=CC2=NC(C(=O)O)=CN2C=C1 68920 [0,2,0,0,0,0|1,0,1]=4 480 B15R2.4834 COC1=CN2C=C(C(=O)O)N=C2C=C1 68923 [0,2,0,0,0,0|1,0,1]=4 481 B15R2.4834 COC1=NC2=C(C=C1)NC(C(=O)O)=C2 78440 [0,2,0,0,0,0|1,0,0]=3 482 B15R2.4834 N#CC1=CC2=C(C=C1)NC(C(=O)O)=C2 P15420 [0,2,0,0,0,0|0,0,0]=2 483 B15R2.4834 N#CC1=CC2=C(C=C1)OC(C(=O)O)=C2 AC2068 [0,2,0,0,0,0|1,0,0]=3 484 B15R2.7254 O=C(O)C1=NC2=C(N1)C(F)=C(F)C=C2 D83580 [0,2,0,0,0,0|1,0,0]=3 485 B15R2.15633 CC1=C2NC(C(=O)O)=CC2=CC(Cl)=C1 74911 [0,2,0,0,0,0|0,0,0]=2 486 B15R2.15633 O=C(O)C1=CC2=C(Cl)N=C(Cl)N=C2N1 P14034 [0,2,0,0,0,0|2,0,0]=4 487 B15R2.15633 O=C(O)C1=CC2=CC(Br)=CC(Cl)=C2N1 Y10628 [0,2,0,0,0,0|0,0,0]=2 488 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Br)=C2N1 Y10973 [0,2,0,0,0,0|0,0,0]=2 489 B15R2.20824 COC1=CC=CC2=C1C=C(C(=O)O)O2 F14524 [0,2,0,0,0,0|1,0,0]=3 490 B15R2.20824 COC1=CC=CC2=C1C=C(C(=O)O)S2 F10218 [0,2,0,0,0,0|1,0,0]=3 491 B15R2.20824 COC1=CC=CC2=C1NC(C(=O)O)=C2 C74267 [0,2,0,0,0,0|0,0,0]=2 492 B15R2.20824 COC1=CC=CN2C=C(C(=O)O)N=C12 68910 [0,2,0,0,0,0|1,0,1]=4 493 B15R2.20824 N#CC1=CC=CC2=C1C=C(C(=O)O)N2 P19778 [0,2,0,0,0,0|0,0,0]=2 494 B15R2.20824 N#CC1=CC=CC2=C1NC(C(=O)O)=C2 P19779 [0,2,0,0,0,0|0,0,0]=2 495 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 84046 [0,0,1,1,0,0|2,0,0]=4 496 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,0,1,1,0,0|0,0,0]=2 497 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br F13558 [0,0,1,1,0,0|2,0,0]=4 498 B13R2.369 NC1=CC2=CC=CC=C2C=C1I 68062 [0,0,1,1,0,0|2,0,0]=4 499 B13R2.369 NC1=CC2=CC=CC=C2N=C1Cl AC1585 [0,0,1,1,0,0|2,0,0]=4 500 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [0,0,1,1,0,0|2,0,0]=4 501 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [0,0,1,1,0,0|2,0,0]=4 502 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,0,1,1,0,0|1,0,0]=3 503 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,0,1,1,0,0|1,0,1]=4 504 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,0,1,1,0,0|1,0,1]=4 505 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br T70735 [0,0,1,1,0,0|2,0,0]=4 506 B13R2.369 OC1=CC2=CC=CC=C2C=C1O AC2509 [0,0,1,1,0,0|2,0,0]=4 507 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 C71537 [0,0,1,1,0,0|2,0,0]=4 508 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 76214 [0,0,1,1,0,0|2,0,0]=4 509 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 69226 [0,0,1,1,0,0|1,0,0]=3 510 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 D82625 [0,0,1,1,0,0|2,0,0]=4 511 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 69227 [0,0,1,1,0,0|2,0,0]=4 512 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 30613 [0,0,1,1,0,0|2,0,0]=4 513 B13R2.5179 OC1=CC=C2C(Br)=CC=CC2=C1 N14953 [0,0,1,1,0,0|2,0,0]=4 514 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 N14954 [0,0,1,1,0,0|2,0,0]=4 515 B13R2.72 O=C(O)C1=CN=C2C=CC=NN12 76584 [0,0,1,1,0,0|2,0,0]=4 516 B13R2.72 O=C(O)C1=CN=C2C=NC=CN12 P17102 [0,0,1,1,0,0|2,0,0]=4 517 B13R2.72 O=C(O)C1=NC=C2C=CC=CN21 P18845 [0,0,1,1,0,0|1,0,0]=3 518 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F31040 [0,0,1,1,0,0|0,0,2]=4 519 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F52104 [0,0,1,1,0,0|0,0,2]=4 520 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 Y10427 [0,0,1,1,0,0|0,0,2]=4 521 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 F51397 [0,0,1,1,0,0|2,0,0]=4 522 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 SC1421 [0,0,1,1,0,0|1,0,1]=4 523 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 38388 [0,0,1,1,0,0|1,0,1]=4 524 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 27107 [0,0,1,1,0,0|1,0,1]=4 525 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 27620 [0,0,1,1,0,0|1,0,1]=4 526 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 P10903 [0,0,1,1,0,0|2,0,0]=4 527 B13R2.5569 O=C(O)C1=C2OC=CC2=CC=C1 F14470 [0,0,1,1,0,0|2,0,0]=4 528 B13R2.5569 O=C(O)C1=CC=CC2=CC=NN21 53545 [0,0,1,1,0,0|1,0,0]=3 529 B13R2.5569 O=C(O)C1=CC=CC2=CN=CN21 P16219 [0,0,1,1,0,0|1,0,0]=3 530 B13R2.5569 O=C(O)C1=CC=CC2=NC=NN12 37358 [0,0,1,1,0,0|2,0,0]=4 531 B13R2.5569 O=C(O)C1=CC=CC2=NN=CN12 P12034 [0,0,1,1,0,0|2,0,0]=4 532 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CN2 I10776 [0,0,1,1,0,0|1,0,1]=4 533 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CO2 72241 [0,0,1,1,0,0|1,0,1]=4 534 B13R2.5569 O=C(O)C1=NC=CC2=C1OC=C2 D78851 [0,0,1,1,0,0|1,0,1]=4 535 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,0,1,0,1,0|1,0,1]=4 536 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,0,1,0,1,0|1,0,1]=4 537 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,0,1,0,1,0|2,0,0]=4 538 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,0,1,0,1,0|2,0,0]=4 539 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,0,1,0,0,1|0,0,2]=4 540 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,0,1,0,0,1|0,0,2]=4 541 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,0,1,0,0,1|0,0,2]=4 542 B13R1.158 O=C(O)CCNC1=C(I)C=CC=C1 C90469 [0,0,1,0,0,1|1,0,1]=4 543 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 80295 [1,0,0,0,0,1|1,0,1]=4 544 B13R2.57 O=CC1=CC2=CC=NC=C2C=C1 AT15535 [1,0,0,0,0,1|2,0,0]=4 545 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 26625 [1,0,0,0,0,1|2,0,0]=4 546 B13R2.57 O=CC1=CC2=NC=CC=C2C=C1 24417 [1,0,0,0,0,1|2,0,0]=4 547 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 BL002914 [1,0,0,0,0,1|0,0,2]=4 548 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 68418 [1,0,0,0,0,1|0,0,2]=4 549 B15R2.1660 CC(=O)CCC1=NC2=C(C=CC=C2)N1 F53154 [0,0,0,0,0,2|2,0,0]=4 550 B15R2.1660 O=C(O)\C=C\C1=CC2=C(C=CC=C2)O1 71404 [0,0,0,0,0,2|1,0,0]=3 551 B15R2.1668 O=C(O)CC1=CC2=NC=CC=C2C=C1 D79230 [0,0,0,0,0,2|2,0,0]=4