0 B12R2.1081 BrC1=CC=CC2=C1C=CN=N2 1774AB [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 BrC1=CC=NC2=NC=CC=C12 7902AB [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 CC1=CC=CC2=C1C=CN=C2 9523AB [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 CC1=CC=CC2=C1OCCN2 3151AC [0,0,0,0,0,0|2,0,2]=4 4 B12R2.1081 CC1=CN=NC2=C1C=CC=C2 7316AA [0,0,0,0,0,0|2,0,0]=2 5 B12R2.1081 CC1CNCC2=CC=CC=C21 8754AC [0,0,0,0,0,0|1,0,3]=4 6 B12R2.1081 ClC1=CC=CC2=C1N=CN=C2 1743AC [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 NC1=C2N=CC=NC2=CC=C1 8405AA [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 V3480 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [0,0,0,0,0,0|2,0,2]=4 10 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 X5541 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 4164AE [0,1,0,0,0,0|1,0,0]=2 12 B13R2.32 ClC1=C(Br)C=CC2=C1C=CN=C2 3468AJ [0,1,0,0,0,0|2,0,0]=3 13 B13R2.162 CC1=CC2=C(N)C=CC=C2N=N1 X3323 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.162 ClC1=CC=CC2=CN=C(Cl)N=C12 Z5015 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.162 O=C1NC=NC2=CC=C(F)C=C12 X0302 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.328 CC1=CC(=O)C2=C(C=CC=N2)N1 1779AJ [0,1,0,0,0,0|3,0,0]=4 17 B13R2.328 CC1=CC(=O)C2=C(C=NC=C2)N1 1777AJ [0,1,0,0,0,0|3,0,0]=4 18 B13R2.328 CC1=NC2=CC=CN=C2C(Cl)=C1 2761AJ [0,1,0,0,0,0|3,0,0]=4 19 B13R2.328 CC1=NC2=CC=CN=C2C(O)=C1 1778AJ [0,1,0,0,0,0|3,0,0]=4 20 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 8125AJ [0,1,0,0,0,0|2,0,0]=3 21 B13R2.328 NC1=CC(O)=CC2=C1C=CC=C2 V7872 [0,1,0,0,0,0|1,0,0]=2 22 B13R2.328 [O-]C1=C2C=CC=CC2=NC(O)=C1 5307AL [0,1,0,0,0,0|2,0,0]=3 23 B13R2.342 NC1=C2C=CC=C(F)C2=NC=C1 4568AD [0,1,0,0,0,0|2,0,0]=3 24 B13R2.371 ClC1=CC=C(Cl)C2=C1C=CC=C2 X4606 [0,1,0,0,0,0|1,0,0]=2 25 B13R2.371 O=C1NC=C(Br)C2=C1C=CC=N2 W3379 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.371 O=C1NN=C(Cl)C2=C1C=CC=C2 Y8340 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.371 [O-][N+]1=C2C=CC=CC2=[N+]([O-])C=C1 S071 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.1613 BrCC1=C2C=CC=CC2=CN=C1 Y4364 [0,1,0,0,0,0|1,0,0]=2 29 B13R2.1613 Br[Mg]C1=C2C=CC=CC2=CC=C1 7725AJ [0,1,0,0,0,0|1,0,0]=2 30 B13R2.1613 NCC1=C2C=CC=CC2=CC=N1 W6115 [0,1,0,0,0,0|1,0,0]=2 31 B13R2.1613 NCC1=C2C=CC=CC2=NC=C1 Y9481 [0,1,0,0,0,0|1,0,0]=2 32 B13R2.1613 O=CC1=C2C=CN=CC2=CN=C1 X6529 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.1613 O=CC1=CC=NC2=NC=CC=C12 9864AB [0,1,0,0,0,0|2,0,1]=4 34 B13R2.1613 O=CC1=NC=NC2=CC=CC=C21 5829AC [0,1,0,0,0,0|2,0,1]=4 35 B13R2.4818 ClC1=C2C(I)=CC=CC2=NC=C1 Y7534 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.4818 FC1=CC=CC2=CC=CC(Br)=C12 Y8769 [0,1,0,0,0,0|1,0,0]=2 37 B13R2.4818 O=C1C=COC2=C1C(O)=CC=C2 Y8984 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.5179 CC1=C2C=CC(Br)=CC2=CN=C1 Y4855 [0,1,0,0,0,0|1,0,0]=2 39 B13R2.5179 ClC1=C2C=NC(Br)=CC2=CC=C1 Y3036 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=C1 W7666 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.5179 NC1=CC2=C(C=C1)C(=O)N=CN2 4956AC [0,1,0,0,0,0|3,0,0]=4 42 B13R2.5179 NC1=CC=NC2=C1C=CC(Cl)=C2 2372AA [0,1,0,0,0,0|2,0,0]=3 43 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 3165AJ [0,1,0,0,0,0|2,0,0]=3 44 B11R1.17 CC1=CC=CC=C1\C=C\C=O 5900AC [0,0,1,0,0,0|1,0,0]=2 45 B11R1.17 O=C\C=C\C1=CC=CC=C1O W2100 [0,0,1,0,0,0|2,0,0]=3 46 B11R1.28 CCC\C=C\C1=NC=CC=C1 Y5856 [0,0,1,0,0,0|1,0,2]=4 47 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 Y7433 [0,0,1,0,0,0|2,0,0]=3 48 B13R3.1962 [C@@H]12C=C[C@@H](C1)C3=CC=CC=C32 6147AB [0,0,0,1,0,0|0,0,2]=3 49 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [0,0,0,0,1,0|3,0,0]=4 50 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [0,0,0,0,1,0|0,0,1]=2 51 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 6111AL [0,0,0,0,1,0|2,0,0]=3 52 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [0,0,0,0,1,0|2,0,0]=3 53 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [0,0,0,0,1,0|2,0,0]=3 54 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [0,0,0,0,1,0|2,0,0]=3 55 B11R2.106 CC1=CC=CC2=C1N=CS2 8174AJ [0,0,0,0,1,0|2,0,0]=3 56 B11R2.106 ClC1=CC=CC2=C1SC=N2 8294AJ [0,0,0,0,1,0|3,0,0]=4 57 B11R2.106 OC1=CC=CC2=C1SC=N2 3829AJ [0,0,0,0,1,0|3,0,0]=4 58 B11R2.106 OC1=CC=CN2C=CN=C12 3471AL [0,0,0,0,1,0|3,0,0]=4 59 B11R2.106 [O-][N+]1=CC=CC2=C1NC=C2 3386AH [0,0,0,0,1,0|3,0,0]=4 60 B10R1.4 C=CCC1=C(C)C=CN=C1 Z0085 [1,0,1,0,0,0|1,0,1]=4 61 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [1,0,1,0,0,0|1,0,1]=4 62 B10R1.17 C=C\C=C\C1=CC=CC=C1 1673AL [1,0,1,0,0,0|0,0,0]=2 63 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [1,0,1,0,0,0|1,0,1]=4 64 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [1,0,1,0,0,0|1,0,0]=3 65 B10R1.20 CSC1=CC=CC=C1C=O I066 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.245 C=CC1=C(C)C=CC=C1C Y8170 [1,0,1,0,0,0|0,0,1]=3 67 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 8179AF [0,1,1,0,0,0|2,0,0]=4 68 B12R1.382 COC1=CC=CC(\C=C\C=O)=C1 8277AB [0,1,1,0,0,0|1,0,0]=3 69 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O 5660AF [0,1,1,0,0,0|2,0,0]=4 70 B12R2.24 CC1=CC2=C(C=C1)N=NC=C2 3487AB [1,1,0,0,0,0|2,0,0]=4 71 B12R2.24 CC1=CC=C2C=CN=CC2=C1 7738AB [1,1,0,0,0,0|1,0,0]=3 72 B12R2.24 ClC1=NN=C2C=CC=CC2=C1 5859AJ [1,1,0,0,0,0|2,0,0]=4 73 B12R2.24 FC1=CC2=C(C=CC=N2)N=C1 2273AJ [1,1,0,0,0,0|2,0,0]=4 74 B12R2.24 IC1=CC2=CC=CC=C2C=N1 Y5506 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.24 NC1=CC2=C(C=CN=N2)C=C1 0380AA [1,1,0,0,0,0|2,0,0]=4 76 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 3083AL [1,1,0,0,0,0|1,0,0]=3 77 B12R2.24 OC1=CC2=CC=CC=C2C=N1 W8331 [1,1,0,0,0,0|1,0,0]=3 78 B12R2.1 NCC1=C2C=CC=CN2C=N1 4230AC [0,1,0,0,1,0|2,0,0]=4 79 B12R2.1 NCC1=CNC2=C1C=CC=C2 W4590 [0,1,0,0,1,0|1,0,0]=3 80 B12R2.1 O=CC1=CC=C2C=COC=C12 W1751 [0,1,0,0,1,0|1,0,1]=4 81 B12R2.1 OCC1=CNC2=CC=CC=C12 2717AD [0,1,0,0,1,0|1,0,0]=3 82 B12R2.1 OCC1=CSC2=CC=CC=C12 Y9385 [0,1,0,0,1,0|1,0,0]=3 83 B12R2.18 BrC1=C(Br)C2=CC=CC=C2O1 Z2437 [0,1,0,0,1,0|2,0,0]=4 84 B12R2.18 CC1=C(Cl)NC2=NC=CC=C21 Y5285 [0,1,0,0,1,0|2,0,0]=4 85 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [0,1,0,0,1,0|2,0,0]=4 86 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [0,1,0,0,1,0|2,0,0]=4 87 B12R2.196 CC1=CNC2=[N+]([O-])C=CC=C12 Y5520 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.196 CN1C=CC2=C1C=CNC2=O Z2312 [0,1,0,0,1,0|2,0,0]=4 89 B12R2.196 NC1=C2NC=C(Br)C2=CC=C1 2179AJ [0,1,0,0,1,0|2,0,0]=4 90 B12R2.196 NC1=C2OC=C(Cl)C2=CC=C1 Y8928 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 2959AA [0,1,0,0,1,0|2,0,0]=4 92 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 Y4619 [0,1,0,0,1,0|2,0,0]=4 93 B12R2.612 CN1N=CC2=C1C=CC(Cl)=C2 Y5772 [0,1,0,0,1,0|2,0,0]=4 94 B12R2.612 FC1=CC2=C(C=C1)C(Br)=CN2 1860AA [0,1,0,0,1,0|2,0,0]=4 95 B12R2.2028 N=C1NC(=O)C2=C1C=CC=C2 Z6021 [0,1,0,0,1,0|2,0,0]=4 96 B12R2.82 CC1=C(C)C2=C(C=C1)SC=N2 8113AJ [0,1,0,0,1,0|2,0,0]=4 97 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 8732AD [0,1,0,0,1,0|2,0,0]=4 98 B12R2.246 CC1=C2NC=CC2=CC(N)=C1 Y1634 [0,1,0,0,1,0|1,0,0]=3 99 B12R2.246 CC1=CC(C)=C2N=CSC2=C1 8118AJ [0,1,0,0,1,0|2,0,0]=4 100 B12R2.315 NCC1=CC=CC2=C1C=CS2 5989AJ [0,1,0,0,1,0|1,0,0]=3 101 B12R2.315 NCC1=CC=CC2=C1C=NN2 Y5674 [0,1,0,0,1,0|2,0,0]=4 102 B12R2.315 NCC1=CC=CC2=C1NN=C2 Y5676 [0,1,0,0,1,0|2,0,0]=4 103 B14R2.203 N#CC1=C(Br)C=NC2=CC=CC=C21 3176AD [0,2,0,0,0,0|1,0,1]=4 104 B14R2.4513 O=C1C(Br)=COC2=C1C=C(Br)C=C2 5267AH [0,2,0,0,0,0|2,0,0]=4 105 B14R2.7724 CC1=CC(N)=C2C=CC=CC2=C1O 5856AF [0,2,0,0,0,0|1,0,0]=3 106 B14R2.7724 O=C1C=C(Br)C(=O)C2=C1C=CC=C2 Y1207 [0,2,0,0,0,0|1,0,0]=3 107 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Cl 9463AJ [0,2,0,0,0,0|2,0,0]=4 108 B14R2.28523 CN1C(=O)C=CC2=CC=CC(Br)=C21 3760AJ [0,2,0,0,0,0|1,0,0]=3 109 B14R2.29369 NC1=CN=C2C=C(Br)C=CC2=C1N X3936 [0,2,0,0,0,0|2,0,0]=4 110 B14R2.29369 OC1=CC=C2C=C(Br)C=CC2=C1Cl Y3537 [0,2,0,0,0,0|1,0,0]=3 111 B14R2.142 N#CC1=CC2=C(Cl)C=CN=C2C=C1 7481AD [0,2,0,0,0,0|2,0,0]=4 112 B14R2.142 N#CC1=CC2=C(N)C=CN=C2C=C1 3204AD [0,2,0,0,0,0|2,0,0]=4 113 B14R2.142 N#CC1=CC=C2C=CC=C(O)C2=N1 X6963 [0,2,0,0,0,0|2,0,0]=4 114 B14R2.8235 CC1=CC(Cl)=NC2=C1C=C(O)C=C2 3023AE [0,2,0,0,0,0|1,0,0]=3 115 B14R2.8751 CC1=CC=C(Br)C2=C1N=C(O)C=C2 6975AC [0,2,0,0,0,0|1,0,0]=3 116 B14R2.8751 [O-][N+]1=C2C=C(Cl)C=CC2=C(Cl)C=C1 X8856 [0,2,0,0,0,0|2,0,0]=4 117 B14R2.28472 CC1=CC2=C(N=C1Cl)C(C)=CC=C2 2035AL [0,2,0,0,0,0|1,0,0]=3 118 B14R2.28472 ClC1=CC2=NC=CC(Cl)=C2C=C1Cl 2593AL [0,2,0,0,0,0|2,0,0]=4 119 B14R2.28472 O=C1NC=CC2=CC(F)=C(F)C=C12 Y2064 [0,2,0,0,0,0|2,0,0]=4 120 B14R2.1146 COC1=C2C=CC=CC2=CC(Cl)=N1 Y8424 [0,2,0,0,0,0|1,0,0]=3 121 B14R2.29365 ClC1=CC=C2C(=C1)C=C(Cl)N=C2Cl 8206AC [0,2,0,0,0,0|2,0,0]=4 122 B14R2.29365 NC1=CC(Cl)=C2N=CC(Br)=CC2=C1 2576AC [0,2,0,0,0,0|2,0,0]=4 123 B14R2.7150 CNCC1=C2C=CC=CC2=CN=C1 Y7661 [0,2,0,0,0,0|1,0,0]=3 124 B14R2.7150 NCCC1=C2C=NC=CC2=CC=C1 Y6751 [0,2,0,0,0,0|1,0,0]=3 125 B14R2.31359 FC(F)C1=CC=CC2=CC=CC=C21 5179AE [0,2,0,0,0,0|0,0,0]=2 126 B14R2.31359 N=C(N)C1=C2C=CC=CC2=CC=C1 4386AJ [0,2,0,0,0,0|0,0,1]=3 127 B14R2.31359 OB(O)C1=NC=CC2=CC=CC=C21 4149AA [0,2,0,0,0,0|2,0,0]=4 128 B14R2.4640 CC1=CC2=C(C=C1)C(C)(C)CC=C2 9697AL [0,2,0,0,0,0|0,0,2]=4 129 B14R2.1801 N#CC1=CC2=NC=CC(N)=C2C=C1 3177AD [0,2,0,0,0,0|2,0,0]=4 130 B12R2.1041 BrC1=NC2=CC=CC=CC2=C1 Y6430 [0,0,1,1,0,0|2,0,0]=4 131 B12R2.1041 O=C1C=C2C=CC=CC=C2N1 Y6126 [0,0,1,1,0,0|2,0,0]=4 132 B10R2.7 C1=CC2=C(CC=C2)N=C1 2529AB [1,0,0,0,1,0|1,0,1]=4 133 B10R2.7 C1=CC2=CNC=C2C=C1 0763AP [1,0,0,0,1,0|1,0,0]=3 134 B10R2.7 C1=CN=C2NC=CC2=C1 7845AF [1,0,0,0,1,0|2,0,0]=4 135 B10R2.7 C1=CN=C2OC=CC2=C1 Y8520 [1,0,0,0,1,0|2,0,0]=4