0 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 OR10173 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 OR53155 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 OR27652 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 OR60004 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 OR5097 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 OR27921 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.18 O=C1NC2=CC=CC=C2C1=O OR53066 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.18 O=C1NC2=NC=CC=C2C1=O OR305630 [0,0,0,0,0,0|1,0,1]=2 8 B11R2.1 BrC1=CNC2=C1C=CC=C2 OR938836 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 BrC1=CNC2=C1C=CC=N2 OR14092 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.1 BrC1=CNC2=NC=NC=C12 OR317007 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 BrC1=CSC2=NC=CC=C12 OR30580 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 BrC1=NNC2=NC=CC=C12 OR30746 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 CN1C=CC2=C1C=CC=C2 OR11669 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 CN1C=NC2=C1C=CC=C2 OR46520 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.1 ClC1=CNC2=C1C=CC=N2 OR14108 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.1 IC1=CNC2=C1C=CC=C2 OR315043 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 IC1=CNC2=NC=CC=C12 OR12105 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 IC1=NNC2=NC=CC=C12 OR305393 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 NC1=CNC2=C1C=CC=N2 OR30683 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.1 NC1=CNC2=NC=CC=C12 OR15982 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.1 NC1=CSC2=NC=CC=C12 OR30577 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 NC1=NNC2=C1C=CC=N2 OR0926 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 OC1=CNC2=CC=CC=C12 OR3695 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.1 OC1=NNC2=C1C=CC=C2 OR21771 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.1 SC1=CNC2=CC=CC=C12 OR15338 [1,0,0,0,0,0|2,1,0]=4 26 B11R2.10 BrC1=NC2=CC=CC=C2N1 OR23118 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.10 CC1=CC2=C(C=CC=C2)N1 OR10174 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.10 CC1=CC2=C(N=CC=C2)N1 OR301214 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.10 CC1=NC2=C(C=CC=N2)O1 OR110178 [1,0,0,0,0,0|2,0,1]=4 30 B11R2.10 ClC1=NC2=CC=CC=C2N1 OR18361 [1,0,0,0,0,0|2,0,1]=4 31 B11R2.10 ClC1=NC2=CC=CN=C2O1 OR916520 [1,0,0,0,0,0|2,0,1]=4 32 B11R2.10 IC1=CC2=C(C=CC=C2)N1 OR305199 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.10 NC1=NC2=C(C=CC=C2)N1 OR22305 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.10 O=C1CC2=C(C=CC=C2)N1 OR30278 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.10 O=C1CC2=CC=CC=C2C1 OR30508 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.10 O=C1NC2=C(C=CC=C2)O1 OR22178 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.10 O=C1NC2=C(C=CC=N2)O1 OR29854 [1,0,0,0,0,0|1,0,0]=2 38 B11R2.10 OC1=CC2=CC=CN=C2N1 OR305354 [1,0,0,0,0,0|1,0,1]=3 39 B11R2.10 OC1=NC2=C(C=CC=C2)N1 OR6552 [1,0,0,0,0,0|1,0,2]=4 40 B11R2.10 S=C1CC2=C(C=CC=C2)N1 OR300726 [1,0,0,0,0,0|2,1,0]=4 41 B11R2.10 S=C1NC2=C(C=CC=N2)O1 OR5092 [1,0,0,0,0,0|1,1,0]=3 42 B11R2.10 SC1=NC2=C(C=CC=C2)N1 OR9047 [1,0,0,0,0,0|1,1,1]=4 43 B11R2.10 SC1=NC2=C(C=CC=N2)N1 OR13527 [1,0,0,0,0,0|0,1,1]=3 44 B11R2.10 SC1=NC2=CC=CN=C2S1 OR27481 [1,0,0,0,0,0|1,1,1]=4 45 B11R2.10 SC1=NC2=NC=CC=C2O1 OR14288 [1,0,0,0,0,0|1,1,1]=4 46 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 OR6737 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.45 O=CC1=C(I)C2=CC=CC=C2N1 OR61363 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 OR30934 [0,1,0,0,0,0|2,0,1]=4 49 B13R2.3028 CC1=CN=C2N=C(N)N(C)C2=C1 OR0518T [0,1,0,0,0,0|2,0,1]=4 50 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O OR9765 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O OR28576 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O OR18353 [0,1,0,0,0,0|2,0,1]=4 53 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 OR3000 [0,1,0,0,0,0|2,0,1]=4 54 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 OR30519 [0,1,0,0,0,0|2,0,1]=4 55 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br OR30753 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O OR14358 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O OR3606 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 OR6071 [0,1,0,0,0,0|3,0,0]=4 59 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 OR12293 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 OR310077 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O OR3605 [0,1,0,0,0,0|2,0,1]=4 62 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O OR40689 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.5190 O=C1NC2=CC(I)=CC=C2C1=O OR310070 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 OR470879 [0,0,1,0,0,0|3,0,0]=4 65 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 OR9376 [0,0,1,0,0,0|2,1,0]=4 66 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 OR316044 [0,0,1,0,0,0|3,0,0]=4 67 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 OR316055 [0,0,1,0,0,0|3,0,0]=4 68 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 OR5460 [0,0,1,0,0,0|3,0,0]=4 69 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 OR18332 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [0,0,1,0,0,0|3,0,0]=4 71 B11R1.40 NNC(=O)CC1=CC=CC=C1 OR310651 [0,0,1,0,0,0|3,0,0]=4 72 B11R1.40 NNC(=O)OC1=CC=CC=C1 OR311140 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.40 NNC(=S)NC1=CC=CC=C1 OR5265 [0,0,1,0,0,0|2,1,0]=4 74 B11R1.40 O=C(CCl)NC1=CC=CC=C1 OR3397 [0,0,1,0,0,0|3,0,0]=4 75 B11R1.40 O=C(CCl)NC1=NC=CC=N1 OR15398 [0,0,1,0,0,0|3,0,0]=4 76 B11R1.40 O=C(NO)OC1=CC=CC=C1 OR310437 [0,0,1,0,0,0|2,0,0]=3 77 B13R2.328 O=C1NC2=C(C=CC=N2)C(=O)O1 OR321347 [0,0,0,0,0,1|1,0,1]=3 78 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O OR110335 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.15 NCC(O)C1=CN=CC=C1 OR12818 [1,0,1,0,0,0|1,0,1]=4 80 B10R1.18 CC(=O)CC1=NC=CC=C1 OR302235 [1,0,1,0,0,0|2,0,0]=4 81 B10R1.18 CC(=O)NC1=CC=CN=C1 OR21124 [1,0,1,0,0,0|1,0,0]=3 82 B10R1.18 NC(=O)CC1=CC=CC=C1 OR0700 [1,0,1,0,0,0|2,0,0]=4 83 B10R1.18 NC(=O)NC1=NC=CC=C1 OR0956 [1,0,1,0,0,0|0,0,0]=2 84 B10R1.18 NC(=S)NC1=NC=CC=C1 OR6811 [1,0,1,0,0,0|0,1,0]=3 85 B10R1.18 NC(=S)NC1=NC=CC=N1 OR6812 [1,0,1,0,0,0|1,1,0]=4 86 B10R1.18 O=C(O)CC1=CC=CN=C1 OR5061 [1,0,1,0,0,0|2,0,0]=4 87 B10R1.18 O=C(O)CC1=CC=CN=C1 OR6262 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.18 O=C(O)CC1=NC=CC=C1 OR20009 [1,0,1,0,0,0|1,0,0]=3 89 B10R1.18 O=C(O)CC1=NC=CN=C1 OR313069 [1,0,1,0,0,0|2,0,0]=4 90 B10R1.20 CNC1=NC=CC=C1CO OR42175 [1,0,1,0,0,0|1,0,1]=4 91 B10R1.61 CC(=O)C1=CC=CN=C1N OR15249 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.61 CC1=NC=CC=C1C(=O)O OR59824 [1,0,1,0,0,0|2,0,0]=4 93 B10R1.61 NC1=C(C(=O)O)C=NC=N1 OR13043 [1,0,1,0,0,0|2,0,0]=4 94 B10R1.61 NC1=NC=CC=C1C(=O)O OR18366 [1,0,1,0,0,0|1,0,0]=3 95 B10R1.61 NC1=NC=CC=C1[N+](=O)[O-] OR1163 [1,0,1,0,0,0|0,0,2]=4 96 B10R1.61 NC1=NC=CN=C1C(=O)O OR18277 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.61 O=C(O)C1=CC=CN=C1Br OR4493 [1,0,1,0,0,0|2,0,0]=4 98 B10R1.61 O=C(O)C1=CC=CN=C1Cl OR5074 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.61 O=C(O)C1=CC=CN=C1O OR5073 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.61 O=C(O)C1=CC=CN=C1S OR28620 [1,0,1,0,0,0|2,0,0]=4 101 B10R2.7 C1=CC2=C(C=C1)NC=C2 OR10189 [2,0,0,0,0,0|2,0,0]=4 102 B10R2.7 C1=CC2=C(C=C1)NC=N2 OR6549 [2,0,0,0,0,0|1,0,1]=4 103 B10R2.7 C1=CC2=C(C=CN2)N=C1 OR3693 [2,0,0,0,0,0|1,0,0]=3 104 B10R2.7 C1=CC2=C(C=CO2)N=C1 OR17929 [2,0,0,0,0,0|2,0,0]=4 105 B10R2.7 C1=CC2=C(N=C1)SC=N2 OR61213 [2,0,0,0,0,0|1,0,1]=4 106 B10R2.7 C1=CC2=CN=CN=C2N1 OR317000 [2,0,0,0,0,0|2,0,0]=4 107 B10R2.7 C1=CN=C2C=NNC2=C1 OR30695 [2,0,0,0,0,0|2,0,0]=4 108 B10R2.7 C1=CN=C2N=CNC2=C1 OR27927 [2,0,0,0,0,0|0,0,1]=3 109 B10R2.7 C1=CN=C2N=CSC2=C1 OR305430 [2,0,0,0,0,0|1,0,1]=4 110 B10R2.7 C1=CN=C2NC=CC2=C1 OR27924 [2,0,0,0,0,0|1,0,0]=3 111 B10R2.7 C1=CN=C2NN=CC2=C1 OR30698 [2,0,0,0,0,0|2,0,0]=4 112 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 OR52463 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 OR14807 [0,1,1,0,0,0|2,0,0]=4 114 B12R1.50 COC(=O)NC1=NC=CC(Cl)=C1 OR3345 [0,1,1,0,0,0|2,0,0]=4 115 B12R2.1 O=CC1=CNC2=NC=CC=C12 OR46102 [1,1,0,0,0,0|1,0,1]=4 116 B12R2.1 OCC1=CNC2=C1C=CC=C2 OR10179 [1,1,0,0,0,0|2,0,0]=4 117 B12R2.132 BrC1=CN=C2NC=C(I)C2=C1 OR301271 [1,1,0,0,0,0|2,0,0]=4 118 B12R2.132 ClC1=CNC2=C1C=C(Br)C=N2 OR345464 [1,1,0,0,0,0|2,0,0]=4 119 B12R2.203 ClC1=C2C(I)=CNC2=NC=C1 OR46101 [1,1,0,0,0,0|2,0,0]=4 120 B12R2.203 ClC1=CNC2=C1C(Br)=CC=N2 OR303005 [1,1,0,0,0,0|2,0,0]=4 121 B12R2.612 CN1C=NC2=NC(Cl)=CC=C21 OR54517 [1,1,0,0,0,0|1,0,1]=4 122 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 OR5662 [1,1,0,0,0,0|2,0,0]=4 123 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 OR6738 [1,1,0,0,0,0|2,0,0]=4 124 B12R2.32 O=CC1=NC2=CC=CC=C2N1 OR1856 [1,1,0,0,0,0|1,0,1]=4 125 B12R2.32 OCC1=CC2=C(C=CC=N2)N1 OR43672 [1,1,0,0,0,0|1,0,1]=4 126 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 OR301166 [1,1,0,0,0,0|2,0,0]=4 127 B12R2.202 CC1=CC=CC2=C1NC(=O)N2 OR200060 [1,1,0,0,0,0|1,0,0]=3 128 B12R2.202 CC1=NC2=C(Br)C=CN=C2N1 OR61521 [1,1,0,0,0,0|1,0,1]=4 129 B12R2.202 CC1=NC2=C(Cl)C=CN=C2N1 OR61522 [1,1,0,0,0,0|1,0,1]=4 130 B12R2.202 ClC1=C2N=C(Br)NC2=NC=C1 OR52098 [1,1,0,0,0,0|1,0,1]=4 131 B12R2.202 ClC1=NC2=C(Br)C=CN=C2N1 OR52119 [1,1,0,0,0,0|1,0,1]=4 132 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 OR41138 [1,1,0,0,0,0|2,0,0]=4 133 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 OR1230 [1,1,0,0,0,0|2,0,0]=4 134 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 OR317325 [1,1,0,0,0,0|1,0,0]=3 135 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 OR2754 [1,1,0,0,0,0|2,0,0]=4 136 B12R2.202 O=C1CC2=C(N1)C(Cl)=CC=C2 OR5622 [1,1,0,0,0,0|2,0,0]=4 137 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 OR10385 [1,1,0,0,0,0|2,0,0]=4 138 B12R2.202 O=C1NC2=C(O1)C(Cl)=CC=C2 OR400450 [1,1,0,0,0,0|2,0,0]=4 139 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 OR301272 [1,1,0,0,0,0|2,0,0]=4 140 B12R2.606 CC1=NC2=CC(Br)=CN=C2N1 OR61524 [1,1,0,0,0,0|1,0,1]=4 141 B12R2.606 CC1=NC2=CC=C(Br)N=C2N1 OR61523 [1,1,0,0,0,0|1,0,1]=4 142 B12R2.606 ClC1=CC=C2N=C(Br)NC2=N1 OR52095 [1,1,0,0,0,0|1,0,1]=4 143 B12R2.606 ClC1=NC2=CC(Br)=CN=C2N1 OR52120 [1,1,0,0,0,0|1,0,1]=4 144 B12R2.606 ClC1=NC2=CC=C(Br)N=C2N1 OR52097 [1,1,0,0,0,0|1,0,1]=4 145 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 OR30804 [1,1,0,0,0,0|2,0,0]=4 146 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 OR10335 [1,1,0,0,0,0|2,0,0]=4 147 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 OR10940 [1,1,0,0,0,0|2,0,0]=4 148 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 OR10383 [1,1,0,0,0,0|2,0,0]=4 149 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 OR10384 [1,1,0,0,0,0|2,0,0]=4 150 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 OR18299 [1,1,0,0,0,0|2,0,0]=4 151 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 OR13660 [1,1,0,0,0,0|1,0,0]=3 152 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 OR16545 [1,1,0,0,0,0|2,0,0]=4 153 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)O1 OR5094 [1,1,0,0,0,0|2,0,0]=4 154 B12R2.606 O=C1NC2=C(N=CC(Br)=C2)N1 OR303626 [1,1,0,0,0,0|0,0,0]=2 155 B12R2.606 O=C1NC2=CC(Cl)=CC=C2O1 OR18273 [1,1,0,0,0,0|2,0,0]=4 156 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 OR10944 [1,1,0,0,0,0|2,0,0]=4 157 B12R2.606 S=C1NC2=C(C=C(I)C=C2)N1 OR61114 [1,1,0,0,0,0|1,1,0]=4 158 B14R2.1128 O=C1NC2=CC=CC=C2N\C1=N\O OR12080 [0,1,0,0,0,1|2,0,0]=4 159 B14R2.8716 CN1C(=O)C(=O)C2=CC(Br)=CN=C21 OR305349 [0,2,0,0,0,0|1,0,1]=4 160 B12R2.24 O=C1CCC2=CC=CN=C2N1 OR16683 [0,0,1,1,0,0|2,0,0]=4 161 B12R2.24 O=C1COC2=CC=CN=C2N1 OR9861 [0,0,1,1,0,0|1,0,0]=3