0 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 OR10173 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 OR53155 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 OR27652 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 OR60004 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 OR5097 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 OR27921 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.18 NC1CC2=CC=CC=C2C1O OR2609 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O OR55258 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.18 O=C1NC2=CC=CC=C2C1=O OR53066 [0,0,0,0,0,0|1,0,1]=2 9 B12R2.18 O=C1NC2=NC=CC=C2C1=O OR305630 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.18 OC1C2=CC=CC=C2CC1Br OR0846 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.1 BrC1=CNC2=C1C=CC=C2 OR938836 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 BrC1=CNC2=C1C=CC=N2 OR14092 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 BrC1=CNC2=C1C=CN=C2 OR30682 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 BrC1=CNC2=C1C=NC=C2 OR30681 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 BrC1=CNC2=C1N=CC=C2 OR30680 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 BrC1=COC2=CC=CC=C12 OR9692 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 BrC1=CSC2=C1C=CC=C2 OR23177 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 CC1=COC2=C1C=CC=C2 OR27821 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 CC1=CSC2=C1C=CC=C2 OR5934 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 CC1C=CC2=CC=CC=C21 OR52581 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.1 CN1C=CC2=C1C=CC=C2 OR11669 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.1 CN1C=NC2=C1C=CC=C2 OR46520 [1,0,0,0,0,0|1,0,1]=3 23 B11R2.1 CN1CCC2=CC=CC=C21 OR346348 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.1 ClC1=CNC2=C1C=CC=N2 OR14108 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.1 ClC1=NNC2=C1C=CC=C2 OR7740 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.1 IC1=CNC2=C1C=CC=C2 OR315043 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.1 IC1=CNC2=CC=CN=C12 OR321324 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.1 IC1=CNC2=NC=CC=C12 OR12105 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.1 IC1=NNC2=C1C=CC=C2 OR305076 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.1 NC1=CNC2=C1C=CC=N2 OR30683 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 NC1=CNC2=C1C=CN=C2 OR15770 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 NC1=CNC2=C1C=NC=C2 OR15771 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 NC1=CNC2=C1N=CC=C2 OR15772 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 NC1=CNC2=NC=CC=C12 OR15982 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 NC1=CSC2=CC=CC=C12 OR46554 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.1 NC1=NNC2=CC=CC=C21 OR30984 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.1 NN1CCC2=C1C=CC=C2 OR7783 [1,0,0,0,0,0|2,0,1]=4 38 B11R2.1 NN1N=NC2=C1C=CC=C2 OR5609 [1,0,0,0,0,0|2,0,1]=4 39 B11R2.1 O=C1C=CC2=C1C=CC=C2 OR301146 [1,0,0,0,0,0|2,0,1]=4 40 B11R2.1 O=C1NNC2=C1C=CC=C2 OR7741 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.1 OB1OCC2=CC=CC=C12 OR10502 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.1 OC1=CNC2=CC=CC=C12 OR3695 [1,0,0,0,0,0|1,0,0]=2 43 B11R2.1 OC1=NNC2=C1C=CC=C2 OR21771 [1,0,0,0,0,0|2,0,0]=3 44 B11R2.1 OC1=NOC2=CC=CC=C21 OR27158 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.1 OC1CCC2=C1C=CC=C2 OR6504 [1,0,0,0,0,0|2,0,1]=4 46 B11R2.1 SC1=CNC2=CC=CC=C12 OR15338 [1,0,0,0,0,0|1,1,0]=3 47 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 OR23096 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.10 BrC1=CC2=CC=CC=C2C1 OR1077 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.10 BrC1=CC2=CC=CC=C2S1 OR9631 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 OR23092 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.10 BrC1=NC2=CC=CC=C2N1 OR23118 [1,0,0,0,0,0|1,0,1]=3 52 B11R2.10 CC1=CC2=C(C=CC=C2)N1 OR10174 [1,0,0,0,0,0|2,0,0]=3 53 B11R2.10 CC1=CC2=C(C=NC=C2)N1 OR313057 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.10 CC1=CC2=C(N=CC=C2)N1 OR301214 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.10 CC1CC2=C(C=CC=C2)N1 OR10176 [1,0,0,0,0,0|2,0,1]=4 56 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 OR13659 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.10 ClC1=NC2=C(C=NC=C2)N1 OR302451 [1,0,0,0,0,0|2,0,1]=4 58 B11R2.10 ClC1=NC2=CC=CC=C2N1 OR18361 [1,0,0,0,0,0|1,0,1]=3 59 B11R2.10 ClC1=NC2=CC=CC=C2S1 OR18309 [1,0,0,0,0,0|2,0,1]=4 60 B11R2.10 IC1=CC2=C(C=CC=C2)N1 OR305199 [1,0,0,0,0,0|2,0,0]=3 61 B11R2.10 NC1=NC2=C(C=CC=C2)N1 OR22305 [1,0,0,0,0,0|1,0,1]=3 62 B11R2.10 NC1=NC2=C(C=CC=C2)O1 OR42126 [1,0,0,0,0,0|2,0,1]=4 63 B11R2.10 NC1=NC2=CC=CC=C2S1 OR18345 [1,0,0,0,0,0|2,0,1]=4 64 B11R2.10 O=C1CC2=C(C=CC=C2)N1 OR30278 [1,0,0,0,0,0|1,0,0]=2 65 B11R2.10 O=C1CC2=CC=CC=C2C1 OR30508 [1,0,0,0,0,0|2,0,0]=3 66 B11R2.10 O=C1NC2=C(C=CC=C2)O1 OR22178 [1,0,0,0,0,0|1,0,0]=2 67 B11R2.10 O=C1NC2=C(C=CC=N2)O1 OR29854 [1,0,0,0,0,0|2,0,0]=3 68 B11R2.10 OC1=CC2=CC=CN=C2N1 OR305354 [1,0,0,0,0,0|2,0,1]=4 69 B11R2.10 OC1=NC2=C(C=CC=C2)N1 OR6552 [1,0,0,0,0,0|0,0,2]=3 70 B11R2.10 OC1=NC2=C(C=CC=C2)S1 OR16606 [1,0,0,0,0,0|1,0,2]=4 71 B11R2.10 S=C1CC2=C(C=CC=C2)N1 OR300726 [1,0,0,0,0,0|1,1,0]=3 72 B11R2.10 S=C1NC2=C(C=CC=N2)O1 OR5092 [1,0,0,0,0,0|2,1,0]=4 73 B11R2.10 SC1=NC2=C(C=CC=C2)N1 OR9047 [1,0,0,0,0,0|0,1,1]=3 74 B11R2.10 SC1=NC2=C(C=CC=C2)O1 OR28704 [1,0,0,0,0,0|1,1,1]=4 75 B11R2.10 SC1=NC2=C(C=CC=N2)N1 OR13527 [1,0,0,0,0,0|1,1,1]=4 76 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 OR55307 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 OR7692 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.45 CN1C(C#N)=CC2=CC=CC=C21 OR111023 [0,1,0,0,0,0|3,0,0]=4 79 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 OR6737 [0,1,0,0,0,0|1,0,1]=3 80 B13R2.45 CN1C(CBr)=NC2=C1C=CC=C2 OR12398 [0,1,0,0,0,0|2,0,1]=4 81 B13R2.45 CN1C(CBr)=NC2=C1C=CC=C2 OR2508 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 OR5663 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 OR12313 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.45 O=CC1=C(I)C2=CC=CC=C2N1 OR61363 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 OR10175 [0,1,0,0,0,0|2,0,1]=4 86 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 OR29092 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 OR30934 [0,1,0,0,0,0|1,0,1]=3 88 B13R2.3028 CN1C2=CC(Br)=CC=C2N=C1Cl OR52118 [0,1,0,0,0,0|2,0,1]=4 89 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O OR9765 [0,1,0,0,0,0|1,0,1]=3 90 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O OR28576 [0,1,0,0,0,0|1,0,1]=3 91 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O OR18353 [0,1,0,0,0,0|1,0,1]=3 92 B13R2.3085 CC1=C(I)N(C)C2=C1C=CC=C2 OR51815 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 OR3000 [0,1,0,0,0,0|1,0,1]=3 94 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 OR30519 [0,1,0,0,0,0|1,0,1]=3 95 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br OR30753 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.4825 CN1C(=O)NC2=C(Cl)N=CN=C21 OR471472 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.4825 CN1C2=CC=CC(Br)=C2N=C1Cl OR52093 [0,1,0,0,0,0|2,0,1]=4 98 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O OR14358 [0,1,0,0,0,0|1,0,1]=3 99 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O OR3606 [0,1,0,0,0,0|1,0,1]=3 100 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 OR6071 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 OR12293 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 OR310077 [0,1,0,0,0,0|1,0,0]=2 103 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O OR3605 [0,1,0,0,0,0|1,0,1]=3 104 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O OR40689 [0,1,0,0,0,0|1,0,1]=3 105 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O OR310070 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 OR13658 [0,0,1,0,0,0|3,0,0]=4 107 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 OR470879 [0,0,1,0,0,0|2,0,0]=3 108 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 OR2976 [0,0,1,0,0,0|3,0,0]=4 109 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 OR9376 [0,0,1,0,0,0|1,1,0]=3 110 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 OR316044 [0,0,1,0,0,0|2,0,0]=3 111 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 OR316055 [0,0,1,0,0,0|2,0,0]=3 112 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 OR19581 [0,0,1,0,0,0|3,0,0]=4 113 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 OR5480 [0,0,1,0,0,0|3,0,0]=4 114 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 OR350055 [0,0,1,0,0,0|2,0,1]=4 115 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 OR350067 [0,0,1,0,0,0|3,0,0]=4 116 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 OR5460 [0,0,1,0,0,0|2,0,0]=3 117 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 OR18332 [0,0,1,0,0,0|2,0,0]=3 118 B11R1.40 CC(=CC1=CC=CC=C1)CO OR60256 [0,0,1,0,0,0|3,0,0]=4 119 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [0,0,1,0,0,0|2,0,0]=3 120 B11R1.40 NNC(=O)CC1=CC=CC=C1 OR310651 [0,0,1,0,0,0|2,0,0]=3 121 B11R1.40 NNC(=O)OC1=CC=CC=C1 OR311140 [0,0,1,0,0,0|2,0,0]=3 122 B11R1.40 NNC(=S)NC1=CC=CC=C1 OR5265 [0,0,1,0,0,0|1,1,0]=3 123 B11R1.40 O=C(CCl)NC1=CC=CC=C1 OR3397 [0,0,1,0,0,0|2,0,0]=3 124 B11R1.40 O=C(NO)OC1=CC=CC=C1 OR310437 [0,0,1,0,0,0|1,0,0]=2 125 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O OR7330 [0,0,0,0,0,1|2,0,1]=4 126 B13R2.328 CC1=NC2=C(C=CC=C2)C(O)=C1 OR21133 [0,0,0,0,0,1|2,0,1]=4 127 B13R2.328 NC1=NC2=C(C=CC=C2)C(O)=N1 OR300186 [0,0,0,0,0,1|2,0,1]=4 128 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)O1 OR1147 [0,0,0,0,0,1|2,0,1]=4 129 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 OR12643 [0,0,0,0,0,1|2,0,1]=4 130 B13R2.328 O=C1NC2=C(C=CC=N2)C(=O)O1 OR321347 [0,0,0,0,0,1|2,0,1]=4 131 B13R2.328 OC1=CC(O)=C2C=CC=CC2=C1 OR55332 [0,0,0,0,0,1|2,0,1]=4 132 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 OR2578 [0,0,0,0,0,1|1,0,2]=4 133 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O OR110335 [0,0,0,0,0,1|2,0,0]=3 134 B13R2.369 NC1=C(O)C=C2C=CC=CC2=C1 OR27856 [0,0,0,0,0,1|3,0,0]=4 135 B13R2.369 O=C1CC2=CC=CC=C2OC1=O OR9103 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.15 NCC(O)C1=CC=CC=C1 OR52511 [1,0,1,0,0,0|1,0,1]=4 137 B10R1.15 NCC(O)C1=CC=CC=C1 OR9824 [1,0,1,0,0,0|1,0,1]=4 138 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 OR3013 [1,0,1,0,0,0|1,0,1]=4 139 B10R1.15 NC[C@H](O)C1=CC=CC=C1 OR3011 [1,0,1,0,0,0|1,0,1]=4 140 B10R1.18 CC(=O)NC1=CC=CN=C1 OR21124 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.18 CC(=O)OC1=CC=CC=C1 OR5316 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.18 CC(=S)NC1=CC=CC=C1 OR53074 [1,0,1,0,0,0|1,1,0]=4 143 B10R1.18 NC(=O)CC1=CC=CC=C1 OR0700 [1,0,1,0,0,0|1,0,0]=3 144 B10R1.18 NC(=O)NC1=NC=CC=C1 OR0956 [1,0,1,0,0,0|1,0,0]=3 145 B10R1.18 NC(=S)NC1=CC=NC=C1 OR1315 [1,0,1,0,0,0|1,1,0]=4 146 B10R1.18 NC(=S)NC1=NC=CC=C1 OR6811 [1,0,1,0,0,0|1,1,0]=4 147 B10R1.18 NC(N)=NC1=CC=CC=C1 OR8070 [1,0,1,0,0,0|1,0,1]=4 148 B10R1.18 O=C(Cl)CC1=CC=CC=C1 OR2206 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.18 O=C(O)CC1=CC=CN=C1 OR5061 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.18 O=C(O)CC1=CC=CN=C1 OR6262 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.18 O=C(O)CC1=CC=NC=C1 OR313081 [1,0,1,0,0,0|2,0,0]=4 152 B10R1.18 O=C(O)CC1=NC=CC=C1 OR20009 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.17 OCCNC1=CC=CC=C1 OR42170 [1,0,1,0,0,0|1,0,1]=4 154 B10R1.4 CCNC1=C(O)C=CC=C1 OR52438 [1,0,1,0,0,0|1,0,1]=4 155 B10R1.4 O=CCC1=C(Br)C=CC=C1 OR18812 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.20 C#CC1=CC=CC=C1C=O OR01514 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.20 N#CC1=C(C=O)C=CC=C1 OR13206 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.20 O=CC1=CC=CC=C1C=O OR18349 [1,0,1,0,0,0|1,0,1]=4 159 B10R1.61 C=C(C)C1=C(N)C=CC=C1 OR52354 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.61 CC(=O)C1=CC=CC=C1N OR28679 [1,0,1,0,0,0|2,0,0]=4 161 B10R1.61 CC(=O)C1=CC=CC=C1N OR55399 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.61 CN(C)C1=C(N)C=CC=C1 OR60254 [1,0,1,0,0,0|1,0,1]=4 163 B10R1.61 NC(=O)C1=C(N)C=CC=C1 OR4043 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.61 NC1=C(B(O)O)C=CC=C1 OR2855 [1,0,1,0,0,0|1,0,1]=4 165 B10R1.61 NC1=C(C(=O)O)C=CN=C1 OR29468 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.61 NC1=C(C(=O)O)C=NC=C1 OR1058 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 OR322158 [1,0,1,0,0,0|0,0,2]=4 168 B10R1.61 NC1=CC=CC=C1B(O)O OR10336 [1,0,1,0,0,0|1,0,1]=4 169 B10R1.61 NC1=CC=CN=C1C(=O)O OR2780T [1,0,1,0,0,0|2,0,0]=4 170 B10R1.61 NC1=NC=CC=C1C(=O)O OR18366 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 OR4995 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 OR5177 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.61 O=C(O)C1=C(I)C=CC=C1 OR0837 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.61 O=C(O)C1=C(O)C=CC=C1 OR6245 [1,0,1,0,0,0|2,0,0]=4 175 B10R1.61 O=C(O)C1=C(S)C=CC=C1 OR3344 [1,0,1,0,0,0|2,0,0]=4 176 B10R2.7 C1=CC2=C(C=C1)NC=C2 OR10189 [2,0,0,0,0,0|1,0,0]=3 177 B10R2.7 C1=CC2=C(C=C1)NC=N2 OR6549 [2,0,0,0,0,0|0,0,1]=3 178 B10R2.7 C1=CC2=C(C=C1)NCC2 OR6520 [2,0,0,0,0,0|1,0,1]=4 179 B10R2.7 C1=CC2=C(C=C1)OC=N2 OR13697 [2,0,0,0,0,0|1,0,1]=4 180 B10R2.7 C1=CC2=C(C=C1)SC=C2 OR6572 [2,0,0,0,0,0|2,0,0]=4 181 B10R2.7 C1=CC2=C(C=CN2)N=C1 OR3693 [2,0,0,0,0,0|2,0,0]=4 182 B10R2.7 C1=CC2=C(C=N1)N=CN2 OR46225 [2,0,0,0,0,0|1,0,1]=4 183 B10R2.7 C1=CC2=C(C=N1)NC=C2 OR3694 [2,0,0,0,0,0|2,0,0]=4 184 B10R2.7 C1=CC2=CN=CC=C2N1 OR5493 [2,0,0,0,0,0|2,0,0]=4 185 B10R2.7 C1=CC=C2NN=CC2=C1 OR30691 [2,0,0,0,0,0|2,0,0]=4 186 B10R2.7 C1=CC=C2NN=NC2=C1 OR13222 [2,0,0,0,0,0|1,0,1]=4 187 B10R2.7 C1=CC=C2OC=CC2=C1 OR6548 [2,0,0,0,0,0|2,0,0]=4 188 B10R2.7 C1=CN=C2N=CNC2=C1 OR27927 [2,0,0,0,0,0|1,0,1]=4 189 B10R2.7 C1=CN=C2NC=CC2=C1 OR27924 [2,0,0,0,0,0|2,0,0]=4 190 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 OR22594 [0,1,1,0,0,0|2,0,0]=4 191 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 OR4793 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 OR43666 [0,1,1,0,0,0|2,0,0]=4 193 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 OR13218 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 OR310337 [0,1,1,0,0,0|2,0,0]=4 195 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 OR303002 [0,1,1,0,0,0|2,0,0]=4 196 B12R1.34 NC(C(=O)NO)C1=CC=CC=C1 OR6054 [0,1,1,0,0,0|2,0,0]=4 197 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 OR13894 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 OR52197 [0,1,1,0,0,0|2,0,0]=4 199 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 OR4935 [0,1,1,0,0,0|2,0,0]=4 200 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 OR27916 [0,1,1,0,0,0|2,0,0]=4 201 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 OR52463 [0,1,1,0,0,0|1,0,0]=3 202 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 OR14807 [0,1,1,0,0,0|1,0,0]=3 203 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 OR12180 [0,1,1,0,0,0|2,0,0]=4 204 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 OR27237 [0,1,1,0,0,0|2,0,0]=4 205 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 OR29570 [0,1,1,0,0,0|2,0,0]=4 206 B12R1.50 O=C(CCl)NC1=CC(Cl)=CC=C1 OR3114 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.371 O=C(CBr)NC1=C(Cl)C=CC=C1 OR2782 [0,1,1,0,0,0|2,0,0]=4 208 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 OR4392 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.75 CSC1=CC=CC=C1NC(C)=O OR41169 [0,1,1,0,0,0|2,0,0]=4 210 B12R2.1 N#CC1=CNC2=C1C=CC=C2 OR10194 [1,1,0,0,0,0|2,0,0]=4 211 B12R2.1 NCC1=CNC2=C1C=CC=C2 OR10823 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.1 O=CC1=CNC2=C1C=CC=C2 OR5052 [1,1,0,0,0,0|1,0,1]=4 213 B12R2.1 OCC1=CNC2=C1C=CC=C2 OR10179 [1,1,0,0,0,0|1,0,0]=3 214 B12R2.1 OCC1=CSC2=C1C=CC=C2 OR23176 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.1 OCC1=NNC2=C1C=CC=C2 OR305639 [1,1,0,0,0,0|2,0,0]=4 216 B12R2.1 OCN1N=NC2=CC=CC=C21 OR30424 [1,1,0,0,0,0|1,0,1]=4 217 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 OR40238 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.132 CC1=CNC2=CC=C(Br)C=C12 OR7820 [1,1,0,0,0,0|2,0,0]=4 219 B12R2.132 CN1C=CC2=CC=C(Br)C=C21 OR9630 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.132 CN1C=CC2=CC=C(Cl)C=C21 OR70060 [1,1,0,0,0,0|2,0,0]=4 221 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 OR7414 [1,1,0,0,0,0|1,0,1]=4 222 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 OR9629 [1,1,0,0,0,0|2,0,0]=4 223 B12R2.203 CC1=CNC2=C1C(Br)=CC=C2 OR61433 [1,1,0,0,0,0|2,0,0]=4 224 B12R2.203 CN1C=CC2=C1C(Br)=CC=C2 OR14929 [1,1,0,0,0,0|2,0,0]=4 225 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 OR910284 [1,1,0,0,0,0|1,0,1]=4 226 B12R2.612 CC1=CNC2=CC(Br)=CC=C12 OR62080 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 OR4414 [1,1,0,0,0,0|2,0,0]=4 228 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 OR6792 [1,1,0,0,0,0|2,0,0]=4 229 B12R2.612 CN1C=NC2=CC(N)=CC=C21 OR301135 [1,1,0,0,0,0|1,0,1]=4 230 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 OR61013 [1,1,0,0,0,0|1,0,1]=4 231 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 OR9012 [1,1,0,0,0,0|1,0,1]=4 232 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 OR5660 [1,1,0,0,0,0|2,0,0]=4 233 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 OR17701 [1,1,0,0,0,0|1,0,1]=4 234 B12R2.32 NNC1=NC2=CC=CC=C2N1 OR14212 [1,1,0,0,0,0|1,0,1]=4 235 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 OR5662 [1,1,0,0,0,0|1,0,0]=3 236 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 OR101115 [1,1,0,0,0,0|2,0,0]=4 237 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 OR8022 [1,1,0,0,0,0|2,0,0]=4 238 B12R2.32 O=CC1=NC2=C(C=CC=C2)O1 OR315301 [1,1,0,0,0,0|1,0,1]=4 239 B12R2.32 O=CC1=NC2=CC=CC=C2N1 OR1856 [1,1,0,0,0,0|0,0,1]=3 240 B12R2.32 O=CC1=NC2=CC=CC=C2S1 OR23088 [1,1,0,0,0,0|1,0,1]=4 241 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 OR20024 [1,1,0,0,0,0|1,0,1]=4 242 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 OR6550 [1,1,0,0,0,0|0,0,2]=4 243 B12R2.202 CC1=CC=CC2=C1NC(=O)N2 OR200060 [1,1,0,0,0,0|0,0,0]=2 244 B12R2.202 ClC1=NC2=C(Br)C=CC=C2N1 OR52092 [1,1,0,0,0,0|1,0,1]=4 245 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 OR41138 [1,1,0,0,0,0|1,0,0]=3 246 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 OR1230 [1,1,0,0,0,0|1,0,0]=3 247 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 OR317325 [1,1,0,0,0,0|2,0,0]=4 248 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 OR2754 [1,1,0,0,0,0|1,0,0]=3 249 B12R2.202 O=C1CC2=C(N1)C(Cl)=CC=C2 OR5622 [1,1,0,0,0,0|1,0,0]=3 250 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 OR17022 [1,1,0,0,0,0|2,0,0]=4 251 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 OR10385 [1,1,0,0,0,0|1,0,0]=3 252 B12R2.202 O=C1NC2=C(O1)C(Cl)=CC=C2 OR400450 [1,1,0,0,0,0|1,0,0]=3 253 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 OR7950 [1,1,0,0,0,0|2,0,0]=4 254 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 OR5331 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.606 CC1=CC2=C(C=C1)NC(C)=N2 OR28395 [1,1,0,0,0,0|1,0,1]=4 256 B12R2.606 CC1=CC2=C(C=C1)NC(S)=N2 OR28659 [1,1,0,0,0,0|0,1,1]=4 257 B12R2.606 CC1=CC2=C(C=CC(N)=C2)N1 OR59321 [1,1,0,0,0,0|2,0,0]=4 258 B12R2.606 CC1=CC2=CC(Cl)=CC=C2N1 OR3699 [1,1,0,0,0,0|2,0,0]=4 259 B12R2.606 CC1=NC2=CC(Cl)=CC=C2N1 OR11210 [1,1,0,0,0,0|1,0,1]=4 260 B12R2.606 ClC1=CC=C2NC(Cl)=NC2=C1 OR200016 [1,1,0,0,0,0|1,0,1]=4 261 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)N1 OR15270 [1,1,0,0,0,0|1,0,1]=4 262 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 OR30804 [1,1,0,0,0,0|1,0,0]=3 263 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 OR10335 [1,1,0,0,0,0|1,0,0]=3 264 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 OR10940 [1,1,0,0,0,0|1,0,0]=3 265 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 OR10383 [1,1,0,0,0,0|1,0,0]=3 266 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 OR40513 [1,1,0,0,0,0|2,0,0]=4 267 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 OR10384 [1,1,0,0,0,0|1,0,0]=3 268 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 OR18299 [1,1,0,0,0,0|1,0,0]=3 269 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 OR310092 [1,1,0,0,0,0|2,0,0]=4 270 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 OR13660 [1,1,0,0,0,0|0,0,0]=2 271 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 OR16545 [1,1,0,0,0,0|1,0,0]=3 272 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 OR5094 [1,1,0,0,0,0|1,0,0]=3 273 B12R2.606 O=C1NC2=C(N=CC(Br)=C2)N1 OR303626 [1,1,0,0,0,0|1,0,0]=3 274 B12R2.606 O=C1NC2=CC(Cl)=CC=C2O1 OR18273 [1,1,0,0,0,0|1,0,0]=3 275 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 OR10944 [1,1,0,0,0,0|1,0,0]=3 276 B12R2.606 S=C1NC2=C(C=C(I)C=C2)N1 OR61114 [1,1,0,0,0,0|0,1,0]=3 277 B12R2.606 S=C1NC2=CC=C(Cl)C=C2S1 OR8320 [1,1,0,0,0,0|1,1,0]=4 278 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 OR18562 [0,1,0,0,0,1|2,0,0]=4 279 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 OR13749 [0,1,0,0,0,1|2,0,0]=4 280 B14R2.7724 CN1C(=O)C=C(Cl)C2=CC=CC=C21 OR26332 [0,1,0,0,0,1|2,0,0]=4 281 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C21 OR22358 [0,1,0,0,0,1|2,0,0]=4 282 B14R2.8038 CN1C(=O)COC2=C(N)C=CC=C21 OR13820 [0,1,0,0,0,1|2,0,0]=4 283 B14R2.29369 CN1C(=O)CCC2=CC(Br)=CC=C21 OR303274 [0,1,0,0,0,1|2,0,0]=4 284 B14R2.8045 CC1=C2NC(=O)OC(=O)C2=CC=C1 OR30520 [0,1,0,0,0,1|1,0,1]=4 285 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 OR400020 [0,1,0,0,0,1|1,0,1]=4 286 B14R2.8045 O=C1NC2=C(Cl)C=CC=C2C(=O)O1 OR400010 [0,1,0,0,0,1|1,0,1]=4 287 B14R2.8235 NC1=CC2=C(C=C1)NC(=O)OC2=O OR7052 [0,1,0,0,0,1|1,0,1]=4 288 B14R2.8235 O=C1NC(=O)C2=C(C=CC(Br)=C2)N1 OR12053 [0,1,0,0,0,1|1,0,1]=4 289 B14R2.8235 O=C1NC(=O)C2=CC(Cl)=CC=C2N1 OR11956 [0,1,0,0,0,1|1,0,1]=4 290 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 OR4597 [0,1,0,0,0,1|1,0,1]=4 291 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 OR30482 [0,1,0,0,0,1|1,0,1]=4 292 B14R2.8235 O=C1NC2=CC=C(O)C=C2C(=O)O1 OR8420 [0,1,0,0,0,1|1,0,1]=4 293 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 OR400005 [0,1,0,0,0,1|1,0,1]=4 294 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 OR400007 [0,1,0,0,0,1|1,0,1]=4 295 B14R2.29365 CC1=CC=C2C(=O)OC(=O)NC2=C1 OR400018 [0,1,0,0,0,1|1,0,1]=4 296 B14R2.29365 O=C1NC2=CC(Br)=CC=C2C(=O)O1 OR400015 [0,1,0,0,0,1|1,0,1]=4 297 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 OR400016 [0,1,0,0,0,1|1,0,1]=4 298 B14R2.1128 O=C1NC2=CC=CC=C2N=C1CBr OR9013 [0,1,0,0,0,1|2,0,0]=4 299 B14R2.1128 O=C1NC2=CC=CC=C2N\C1=N\O OR12080 [0,1,0,0,0,1|1,0,0]=3 300 B14R2.1128 O=C1OC2=C(C=CC=C2)N\C1=N\O OR12020 [0,1,0,0,0,1|2,0,0]=4 301 B14R2.1128 O=C1SC2=C(C=CC=C2)N\C1=N\O OR12019 [0,1,0,0,0,1|2,0,0]=4 302 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1O OR14001 [0,1,0,0,0,1|2,0,0]=4 303 B14R2.8239 CC1OC2=CC(N)=CC=C2NC1=O OR40372 [0,1,0,0,0,1|2,0,0]=4 304 B14R2.8239 CC1OC2=CC=C(N)C=C2NC1=O OR13750 [0,1,0,0,0,1|2,0,0]=4 305 B14R2.28472 CC1OC2=C(N)C=CC=C2NC1=O OR13827 [0,1,0,0,0,1|2,0,0]=4 306 B14R2.28472 CC1OC2=CC=CC(N)=C2NC1=O OR40373 [0,1,0,0,0,1|2,0,0]=4 307 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 OR5666 [0,2,0,0,0,0|2,0,0]=4 308 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O OR1861 [0,2,0,0,0,0|1,0,1]=4 309 B14R2.19008 CCC1C(=O)NC2=CC=C(Br)C=C21 OR01753 [0,2,0,0,0,0|2,0,0]=4 310 B14R2.645 O=C1NC2=C(C=C(Cl)C(Br)=C2)C1=O OR52245 [0,2,0,0,0,0|1,0,1]=4 311 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 OR19586 [0,2,0,0,0,0|1,0,1]=4 312 B14R2.4506 CC1=C(Br)C2=C(C=C1)NC(=O)C2=O OR7044 [0,2,0,0,0,0|1,0,1]=4 313 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Br)C=C1 OR30468 [0,2,0,0,0,0|1,0,1]=4 314 B14R2.8620 O=C1NC2=C(Cl)C=CC(Cl)=C2C1=O OR28538 [0,2,0,0,0,0|1,0,1]=4 315 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 OR52220 [0,2,0,0,0,0|1,0,1]=4 316 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 OR4829 [0,0,1,1,0,0|2,0,0]=4 317 B12R2.24 O=C1COC2=CC=CN=C2N1 OR9861 [0,0,1,1,0,0|2,0,0]=4 318 B12R2.24 O=C1CSC2=CC=CC=C2N1 OR7000 [0,0,1,1,0,0|1,1,0]=4 319 B12R2.24 S=C1COC2=C(C=CC=C2)N1 OR4833 [0,0,1,1,0,0|1,1,0]=4 320 B12R2.315 OCC1=C2NC=CC2=CC=C1 OR10509 [0,0,1,1,0,0|2,0,0]=4 321 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 OR30622 [0,0,1,0,0,1|2,0,0]=4 322 B12R1.27 NNC(=O)OCC1=CC=CC=C1 OR7846 [0,0,1,0,0,1|2,0,0]=4 323 B12R1.27 NNC(=S)NCC1=CC=CC=C1 OR3584 [0,0,1,0,0,1|1,1,0]=4 324 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 OR4110 [0,0,1,0,0,1|2,0,0]=4 325 B14R2.287 O=C1CNC(=O)C2=CC=CC=C2N1 OR01717 [0,0,0,0,0,2|1,0,1]=4 326 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 OR21103 [0,0,0,0,0,2|2,0,0]=4