0 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 3H32-9-AB [0,0,0,0,0,0|2,0,0]=2 1 B13R2.57 COC1=CC2=NC=NC=C2C=C1 4H07-1-1U [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 3H32-5-LM [0,0,0,0,0,0|4,0,0]=4 3 B13R2.57 NCC1=CC2=CC=NC=C2C=C1 3H30-5-6G [0,0,0,0,0,0|4,0,0]=4 4 B13R2.57 NCC1=CC2=NC=CC=C2C=C1 3H30-1-6U [0,0,0,0,0,0|4,0,0]=4 5 B13R2.57 NCC1=CC2=NC=CN=C2C=C1 3H30-1-EJ [0,0,0,0,0,0|3,0,0]=3 6 B12R2.24 BrC1=CC=C2OCC=CC2=C1 2H10-9-66 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.24 FC1=CC2=CC=CC=C2C=N1 3H32-3-CE [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 OC1=CC2=CN=CN=C2C=C1 4H01-1-6Q [1,0,0,0,0,0|1,0,0]=2 9 B12R2.24 OC1=CC2=NC=CC=C2N=C1 4H56-1-0PS [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 OC1=NC2=CC=CC=C2C=N1 4H01-1-A3 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.92 COC1=C(O)C2=CC=CC=C2C=C1 2607-1-2X [0,1,0,0,0,0|1,0,0]=2 12 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 2607-9-32 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=N1 4H07-9-11 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.134 COC1=CC2=CC(Br)=CN=C2C=C1 4H07-9-15 [0,1,0,0,0,0|0,0,0]=1 15 B14R2.134 COC1=CC2=CC(C)=CC=C2C=C1 2707-1-51 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.134 COC1=CC2=CC(N)=CN=C2C=C1 4H56-5-86 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 4H56-1-549 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.142 COC1=CC2=C(Cl)N=CC=C2C=C1 4H07-5-11 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.142 COC1=CC2=C(I)N=CC=C2C=C1 4H07-H-04 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.142 N#CC1=CC=C2N=CN=C(Cl)C2=C1 3H37-5-78 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.142 N#CC1=CC=C2N=CNC(=O)C2=C1 4H48-1-KA [0,1,0,0,0,0|3,0,0]=4 22 B14R2.142 OCC1=CC2=C(Cl)N=CN=C2C=C1 4H01-5-1U [0,1,0,0,0,0|3,0,0]=4 23 B14R2.781 CC(C)C1=CC2=CC=CN=C2C=C1 3H32-1-KS [0,1,0,0,0,0|1,0,0]=2 24 B14R2.781 C[C@H](N)C1=CC2=CC=NC=C2C=C1 3H30-1-S9 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 4H21-1-Z1 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.1019 CC1=C2N=CC=CC2=CC(CO)=C1 4H56-1-HU [0,1,0,0,0,0|2,0,0]=3 27 B14R2.1019 COC1=CC2=CC=CN=C2C(Cl)=C1 4H07-5-0N [0,1,0,0,0,0|0,0,0]=1 28 B14R2.1128 COC1=CC2=NC=CC=C2C=C1C 5H07-1-00 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.1128 COC1=NC2=CC=CC=C2C=C1O 4H07-1-5R [0,1,0,0,0,0|2,0,0]=3 30 B14R2.1128 N#CC1=CC2=CC=CC=C2C=C1O 4H37-1-3E [0,1,0,0,0,0|3,0,0]=4 31 B14R2.1801 COC1=CC2=NC=CC(Br)=C2C=C1 4H07-9-39 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2C=N1 4H56-5-1K [0,1,0,0,0,0|3,0,0]=4 33 B14R2.1801 COC1=CC2=NC=NC(Cl)=C2C=C1 4H07-5-1W [0,1,0,0,0,0|3,0,0]=4 34 B14R2.2332 CC1=NC2=CC=C(CBr)C=C2C=C1 3H32-9-X5 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.2332 CCC1=CC2=CC=C(O)C=C2C=C1 2701-1-1C [0,1,0,0,0,0|2,0,0]=3 36 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=N1 4H07-9-13 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.2332 COC1=CC2=CC=C(Cl)C=C2C=C1 2607-5-1U [0,1,0,0,0,0|1,0,0]=2 38 B14R2.2332 COC1=CC2=NC=C(N)C=C2C=C1 4H56-5-87 [0,1,0,0,0,0|2,0,0]=3 39 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 4H30-1-8K [0,1,0,0,0,0|2,0,0]=3 40 B12R1.27 COC(=O)C#CC1=CC=CC=N1 4H24-1-02 [0,0,1,0,0,0|1,0,2]=4 41 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [0,0,1,0,0,0|1,0,2]=4 42 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 4H23-1-J0 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.27 COC(=O)\C=C\C1=NC=CC=C1 4H23-1-LJ [0,0,1,0,0,0|1,0,0]=2 44 B12R2.32 OCC1=CC2=NC=CC=C2N1 4H56-1-0CE [0,0,0,0,1,0|3,0,0]=4 45 B12R2.44 COC1=CN2C=CN=C2C=C1 4H07-1-2F [0,0,0,0,1,0|1,0,0]=2 46 B12R2.44 COC1=NN2C=CN=C2C=C1 4H07-1-4Q [0,0,0,0,1,0|2,0,0]=3 47 B12R2.44 NCC1=CC=C2N=COC2=C1 4H56-5-KF [0,0,0,0,1,0|3,0,0]=4 48 B12R2.44 NCC1=CN2C=CN=C2C=C1 3H30-5-8D [0,0,0,0,1,0|3,0,0]=4 49 B12R2.44 O=CC1=CC=C2C=COC2=C1 2H15-1-31 [0,0,0,0,1,0|3,0,0]=4 50 B12R2.44 OCC1=CC=C2OC=CC2=C1 2H10-1-0H [0,0,0,0,1,0|3,0,0]=4 51 B11R1.279 COC1=CC=C(C=O)C(N)=C1 4656-1-0G [1,0,1,0,0,0|2,0,0]=4 52 B11R2.20 C1=CC2=NC=CN=C2C=N1 3H32-1-DQ [2,0,0,0,0,0|2,0,0]=4 53 B13R1.11 COC(=O)\C=C(/N)C1=CC=CC=C1 4636-1-07 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.15 COC(=O)\C=C\C1=CC=CC(O)=C1 2629-1-2U [0,1,1,0,0,0|2,0,0]=4 55 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,1,1,0,0,0|2,0,0]=4 56 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 2624-5-E0 [0,1,1,0,0,0|2,0,0]=4 57 B13R2.32 CC1=C(Br)C2=CC=NC=C2C=C1 3H32-9-AZ [1,1,0,0,0,0|2,0,0]=4 58 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 1700-9-54 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.32 NC1=CC=C2N=CC=CC2=C1N 3H30-1-D9 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 2604-1-0X [1,1,0,0,0,0|1,0,0]=3 61 B13R2.155 BrC1=CN=C2C=CC(Br)=CC2=C1 3H32-9-72 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.155 CC1=CC2=CC(Br)=CC=C2N=C1 3H32-9-9H [1,1,0,0,0,0|1,0,0]=3 63 B13R2.155 CC1=CC2=NC(C)=CC=C2C=C1 3H32-1-FR [1,1,0,0,0,0|2,0,0]=4 64 B13R2.155 CC1=NC2=CC(Br)=CC=C2C=C1 3H32-9-76 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.155 NC1=CC2=CC(Br)=CC=C2N=C1 3H30-D-17 [1,1,0,0,0,0|1,0,0]=3 66 B13R2.162 BrC1=CC2=C(Br)C=CN=C2C=C1 3H32-9-1S [1,1,0,0,0,0|1,0,0]=3 67 B13R2.162 CC1=CC2=C(Br)C=CC=C2C=N1 3H32-9-98 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.162 CC1=CC2=C(Br)C=CC=C2N=C1 3H30-9-3D [1,1,0,0,0,0|2,0,0]=4 69 B13R2.162 ClC1=CC2=C(Br)C=CN=C2C=C1 3H32-D-0P [1,1,0,0,0,0|1,0,0]=3 70 B13R2.162 FC1=CC2=C(Br)C=CN=C2C=C1 3H32-B-0G [1,1,0,0,0,0|1,0,0]=3 71 B13R2.162 NC1=CC2=C(O)C=CN=C2C=C1 4H56-1-X0 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.162 NC1=CC=CC2=CC=C(Br)C=C12 3630-9-0G [1,1,0,0,0,0|2,0,0]=4 73 B13R2.162 OC1=CC=NC2=CN=C(Cl)C=C12 4H01-5-65 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.328 ClC1=CC(Cl)=NC2=CC=CN=C12 3H30-5-7W [1,1,0,0,0,0|2,0,0]=4 75 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br 1600-9-14 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 3H30-1-CE [1,1,0,0,0,0|2,0,0]=4 77 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 3H30-5-2G [1,1,0,0,0,0|2,0,0]=4 78 B13R2.369 CC1=NC2=CC=CC=C2C=C1O 4H01-1-8A [1,1,0,0,0,0|2,0,0]=4 79 B13R2.369 OC1=NC2=CC=CC=C2C=C1Cl 4H01-5-2R [1,1,0,0,0,0|2,0,0]=4 80 B13R2.3683 CC1=CC2=NC=C(N)C=C2C=C1 3H30-5-2K [1,1,0,0,0,0|2,0,0]=4 81 B13R2.3683 ClC1=CC2=CC=C(Br)N=C2N=C1 3H32-D-4R [1,1,0,0,0,0|2,0,0]=4 82 B13R2.3683 NC1=CC2=CC=C(O)N=C2C=C1 4H30-1-8J [1,1,0,0,0,0|1,0,0]=3 83 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 2601-5-0R [1,1,0,0,0,0|1,0,0]=3 84 B13R2.3683 OC1=CC2=CN=C(Cl)C=C2C=C1 4H01-5-12 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.3683 OC1=NC2=CC=C(I)C=C2C=C1 4H56-H-61 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.5179 CC1=CC2=NC=CC(Br)=C2C=C1 3H32-9-9G [1,1,0,0,0,0|2,0,0]=4 87 B13R2.5179 CC1=CC2=NC=CC(Cl)=C2C=C1 3H32-5-EU [1,1,0,0,0,0|2,0,0]=4 88 B13R2.5179 OC1=CC2=NC=CC(O)=C2C=C1 4H04-1-17 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.84 COC1=CC=C2NC=NC2=C1Br 4H07-9-0J [0,1,0,0,1,0|1,0,1]=4 90 B13R2.430 CC(=O)C1=CC=C2SC=CC2=C1 6H17-1-0E [0,1,0,0,1,0|2,0,0]=4 91 B13R2.449 CCOC1=CC=C2NC=CC2=N1 4H07-1-4W [0,1,0,0,1,0|1,0,1]=4 92 B13R2.449 NCCC1=CC=C2NC=CC2=C1 3H30-1-27 [0,1,0,0,1,0|1,0,1]=4 93 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 4H56-9-4M [0,1,0,0,1,0|0,0,1]=3 94 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 4H56-3-7U [0,1,0,0,1,0|0,0,1]=3 95 B13R2.654 COC1=CN2N=CC=C2C(Br)=C1 4H07-9-0Q [0,1,0,0,1,0|2,0,0]=4 96 B13R2.2121 COC1=CC2=NC(C)=CN2C=C1 4H07-1-82 [0,1,0,0,1,0|2,0,0]=4 97 B13R2.2121 COC1=CC=C2OC(Cl)=NC2=C1 4656-5-1E [0,1,0,0,1,0|2,0,0]=4 98 B13R2.2121 COC1=CN2C=C(Br)N=C2C=C1 4H07-9-0A [0,1,0,0,1,0|1,0,0]=3 99 B13R2.2130 COC1=CC=C2C(=C1)C=NN2C 4H07-1-3G [0,1,0,0,1,0|1,0,1]=4 100 B13R2.2130 COC1=CC=C2C(=C1)N=CN2C 4H07-1-3F [0,1,0,0,1,0|1,0,1]=4 101 B15R2.1282 CCOC1=CC2=CC(O)=CC=C2C=C1 2607-1-1R [0,2,0,0,0,0|1,0,0]=3 102 B15R2.1290 CCOC1=CC2=C(N)C=CN=C2C=C1 4H56-1-516 [0,2,0,0,0,0|0,0,0]=2 103 B15R2.1601 NCC(O)C1=CC2=CC=CC=C2C=C1 4656-1-T0 [0,2,0,0,0,0|2,0,0]=4 104 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 4H58-1-015 [0,2,0,0,0,0|1,0,1]=4 105 B15R2.10252 CCOC1=CC2=CC=C(C)N=C2C=C1 4H07-1-5P [0,2,0,0,0,0|0,0,0]=2 106 B15R2.10252 CCOC1=CC2=CC=C(N)C=C2C=C1 4630-1-24 [0,2,0,0,0,0|1,0,0]=3 107 B15R2.10252 CCOC1=CC2=CC=C(O)C=C2C=C1 2607-1-1X [0,2,0,0,0,0|1,0,0]=3 108 B15R2.10252 CCOC1=NC2=CC=C(Br)C=C2C=C1 4H07-9-0B [0,2,0,0,0,0|2,0,0]=4 109 B15R2.4776 COC1=CC2=CC(C=O)=CN=C2C=C1 4H56-1-545 [0,2,0,0,0,0|0,0,0]=2 110 B15R2.4776 COC1=CC2=CC(CBr)=CC=C2C=C1 2707-9-37 [0,2,0,0,0,0|1,0,0]=3 111 B15R2.89396 COC1=CC2=NC(Br)=CC(C)=C2C=C1 4H56-9-0C [0,2,0,0,0,0|2,0,0]=4 112 B15R2.89396 COC1=CC2=NC(C)=CC(Br)=C2C=C1 4H56-9-5N [0,2,0,0,0,0|2,0,0]=4 113 B15R2.89396 COC1=CC2=NC(C)=CC(N)=C2C=C1 4H56-1-517 [0,2,0,0,0,0|2,0,0]=4 114 B15R2.89396 COC1=CC2=NC(Cl)=CC(Cl)=C2C=C1 4H07-5-14 [0,2,0,0,0,0|2,0,0]=4 115 B15R2.21329 COC1=CC2=C(Cl)N=C(Cl)C=C2C=C1 4H56-5-3X [0,2,0,0,0,0|2,0,0]=4 116 B15R2.21329 COC1=CC2=C(Cl)N=C(Cl)N=C2C=C1 4H56-5-0V [0,2,0,0,0,0|1,0,0]=3 117 B15R2.21329 COC1=CC2=C(Cl)N=C(N)N=C2C=C1 4H56-5-JX [0,2,0,0,0,0|1,0,0]=3 118 B15R2.984 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1Cl 4H55-5-0M [0,2,0,0,0,0|2,0,0]=4 119 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 2617-1-0P [0,2,0,0,0,0|2,0,0]=4 120 B15R2.7180 O=[N+]([O-])C1=CC=C2N=C(O)C=CC2=C1 4H54-1-LM [0,2,0,0,0,0|2,0,0]=4 121 B15R2.117 COC1=CC2=CC=CC=C2C=C1C#N 4637-1-3L [0,2,0,0,0,0|1,0,0]=3 122 B15R2.2310 COC1=CC2=NC=CC(C#N)=C2C=C1 4H37-1-22 [0,2,0,0,0,0|2,0,0]=4 123 B15R2.89401 COC1=CC2=NC=C(Br)C(Cl)=C2C=C1 4H56-D-26 [0,2,0,0,0,0|2,0,0]=4 124 B15R2.89401 COC1=CC2=NC=C(Cl)C(Cl)=C2C=C1 4H56-5-6G [0,2,0,0,0,0|2,0,0]=4 125 B15R2.4780 C=CC1=CC=C2C=C(OC)C=CC2=C1 2907-1-0B [0,2,0,0,0,0|1,0,0]=3 126 B15R2.4780 COC1=CC2=CN=C(CCl)N=C2C=C1 4H56-5-KQ [0,2,0,0,0,0|1,0,0]=3 127 B15R2.4780 COC1=NC2=CC=C(C#N)C=C2C=C1 4H37-1-2J [0,2,0,0,0,0|2,0,0]=4 128 B13R2.611 COC1=C2NC=CC2=C(F)C=C1 4H07-3-57 [0,0,1,1,0,0|2,0,0]=4 129 B11R1.25 COC(=O)\C=C\C1=CC=CN1 4H23-1-8P [0,0,1,0,1,0|1,0,1]=4 130 B11R2.1 NC1=CNC2=NC=CC=C12 3H30-5-V7 [1,0,0,0,1,0|2,0,0]=4 131 B11R2.1 OC1=C2C=CC=NC2=CN1 4H56-1-284 [1,0,0,0,1,0|1,0,0]=3 132 B11R2.36 BrC1=CC2=CC=NN2C=C1 3H32-9-D9 [1,0,0,0,1,0|2,0,0]=4 133 B11R2.36 BrC1=CC2=CSC=C2C=C1 5H66-9-30 [1,0,0,0,1,0|2,0,0]=4 134 B11R2.36 CC1=CC2=NC=NN2C=C1 3H32-1-MG [1,0,0,0,1,0|2,0,0]=4 135 B11R2.36 NC1=CC2=CSN=C2C=C1 8H70-1-3W [1,0,0,0,1,0|2,0,0]=4 136 B11R2.36 OC1=CC2=NSN=C2C=C1 8H70-1-8C [1,0,0,0,1,0|2,0,0]=4 137 B11R2.36 OC1=CC=C2N=COC2=C1 4H01-1-6L [1,0,0,0,1,0|1,0,0]=3 138 B11R2.36 OC1=CC=C2OC=NC2=C1 4H01-1-6M [1,0,0,0,1,0|2,0,0]=4 139 B11R2.36 OC1=CN=C2SC=CC2=C1 8H01-1-0B [1,0,0,0,1,0|2,0,0]=4 140 B11R2.190 OCC1=CC=C2C=CC2=C1 2601-1-0H [0,0,0,0,2,0|2,0,0]=4