0 B12R1.125 CC(=O)C#CC1=CC=CC=C1C BB58-2899 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BB55-5582 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BB55-5589 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.125 O=C(O)CCN1C=CC=CC1=O BB57-2035 [0,0,0,0,0,0|1,0,3]=4 7 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 BB58-0801 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 BB01-7475 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB55-0680 [1,0,0,0,0,0|0,0,2]=3 13 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB05-0492 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 BB57-7143 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.90 CCC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1346 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.150 CC1=CC=CC(\C=C\C(=O)O)=C1C BB56-1349 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.164 CC1=CC(Br)=C(\C=C\C(=O)O)C=C1 BB56-1347 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 BB05-1219 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.201 CC(=O)CC(=O)C1=C(Br)C=CC=C1 BB32-3227 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.201 CC(=O)CC(=O)C1=C(F)C=CC=C1 BB31-7739 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BB56-0119 [0,1,0,0,0,0|1,0,2]=4 24 B13R1.202 NC(CC1=CC=CC=C1F)C(=O)O BB12-2908 [0,1,0,0,0,0|1,0,2]=4 25 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O BB12-3041 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.893 O=C(O)\C=C\C1=CC(Br)=CC=C1F BB56-1288 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.3787 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1F BB01-7379 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.33 O=C1COC2=CC=CC=C2CN1 BB57-5539 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB12-3811 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 BB01-7402 [0,0,0,1,0,0|1,0,0]=2 31 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 BB12-3461 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.435 CC(N)C1=CC2=CC=CC=C2O1 BB54-3023 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 BB50-0386 [0,0,0,1,0,0|0,1,0]=2 34 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 BB31-7905 [0,0,0,1,0,0|1,1,0]=3 35 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB05-1015 [0,0,0,1,0,0|2,0,0]=3 36 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB12-2951 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 BB54-4264 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 BB12-3038 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 BB05-0427 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 BB57-3862 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 BB54-1488 [0,0,0,1,0,0|1,0,2]=4 42 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 BB12-1678 [0,0,0,1,0,0|1,0,1]=3 43 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 BB57-2002 [0,0,0,1,0,0|1,0,1]=3 44 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2S1 BB55-8346 [0,0,0,1,0,0|1,1,1]=4 45 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 BB56-0658 [0,0,0,1,0,0|1,1,1]=4 46 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 BB17-0572 [0,0,0,1,0,0|3,0,0]=4 47 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,0,0,0,1,0|2,1,0]=4 48 B11R1.90 CN1N=CC=C1\C=C\C(=O)O BB05-3478 [0,0,0,0,1,0|3,0,0]=4 49 B13R1.158 CC1=C(CNCC(=O)O)C=CC=C1 BB20-1222 [0,0,0,0,0,1|1,0,2]=4 50 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 BB01-7476 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB54-0376 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 BB54-4987 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 BB55-3550 [1,1,0,0,0,0|0,0,0]=2 67 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BB54-1054 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.226 O=C(O)CNC1=CC(Cl)=CC=C1 BB58-0802 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [1,1,0,0,0,0|0,0,0]=2 71 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 BB20-1618 [0,1,0,0,1,0|1,0,1]=4 72 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 BB12-5051 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.124 CC1=CC=CC=C1C(N)C(=O)O BB56-0340 [0,1,0,0,1,0|1,0,1]=4 74 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BB56-0238 [0,1,0,0,1,0|1,0,1]=4 75 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F BB56-0262 [0,1,0,0,1,0|1,0,1]=4 76 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BB17-2624 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.127 CC1=CC=C(C)C(CC(=O)O)=C1 BB56-0458 [0,1,0,0,1,0|1,0,1]=4 78 B12R1.127 CC1=CC=C(Cl)C(CC(=O)O)=C1 BB56-1010 [0,1,0,0,1,0|1,0,1]=4 79 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O BB12-2649 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1F BB56-2547 [0,1,0,0,1,0|1,0,1]=4 81 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl BB56-2649 [0,1,0,0,1,0|1,0,1]=4 82 B14R1.96 COC1=C(CCCC(=O)O)C=CC=C1 BB32-2124 [0,1,0,0,0,1|0,0,2]=4 83 B14R1.1865 COC1=C(\C=C\C(=O)O)C=C(Cl)C=C1 BB12-4676 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.4522 O=C(O)CSC1=C(C(=O)O)C=CC=C1 BB12-1323 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O BB57-6482 [0,0,1,1,0,0|1,0,1]=4 86 B12R1.56 NCC1=C(O)C=CC(C(=O)O)=C1 BB57-4979 [0,0,1,1,0,0|1,0,1]=4 87 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.24 O=C1C=CC2=C(C=NC=C2)N1 BB32-2378 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.24 O=C1C=CC2=CN=CC=C2N1 BB57-7205 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.24 O=C1C=NC2=CC=CC=C2N1 BB57-5371 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 BB57-3400 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.32 NCC1=CC2=CC=CC=C2O1 BB57-5865 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB55-6325 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 BB56-0626 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.1081 OC1=CC=NC2=CC=CC=C12 BB01-2824 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 BB56-1783 [0,0,0,1,1,0|2,0,0]=4 97 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 BB01-2518 [0,0,0,1,1,0|2,0,0]=4 98 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)S1 BB54-4134 [0,0,0,1,0,1|0,1,1]=4 99 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 BB12-3277 [0,0,0,1,0,1|1,0,1]=4 100 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 BB57-5391 [0,0,0,1,0,1|2,0,0]=4 101 B14R2.8032 O=C(O)C1=NNC2=C1C=CC=C2F BB54-4660 [0,0,0,1,0,1|2,0,0]=4 102 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 BB54-5305 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.2 CC(=O)\C=C1/OCC2=C1C=CC=C2 BB57-2463 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 BB56-1705 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 BB54-4114 [0,1,0,1,0,0|1,0,1]=4 106 B14R2.450 CC(=O)C1=C(N)C2=CC=CN=C2O1 BB20-3090 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.450 CC1=C(C(=O)Cl)OC2=C1C=CC=C2 BB55-5189 [0,1,0,1,0,0|1,0,0]=3 108 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 BB57-0315 [0,1,0,1,0,0|1,0,0]=3 109 B14R2.450 CC1=C(C(N)=O)NC2=CC=CC=C21 BB55-7786 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.450 NC(=O)C1=C(N)C2=CC=CC=C2O1 BB01-2521 [0,1,0,1,0,0|1,0,0]=3 111 B14R2.450 NC(=O)C1=C(N)C2=CC=CN=C2O1 BB20-3091 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 BB12-2295 [0,1,0,1,0,0|1,0,0]=3 113 B14R2.450 O=C(O)C1=C(F)N2C=CC=CC2=N1 BB54-1996 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 BB56-0399 [0,1,0,1,0,0|1,0,0]=3 115 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 BB26-0256 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.7969 CC1=CC=CN2C=C(C(=O)O)N=C12 BB56-1827 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.7969 N1C(C(=O)O)=CC2=CC=CC(C)=C21 BB54-4230 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 BB56-0695 [0,1,0,1,0,0|1,0,0]=3 119 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 BB26-0840 [0,1,0,1,0,0|0,1,0]=3 120 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 BB56-1354 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.4529 CC(=O)C1=CC2=CC(Cl)=CC=C2O1 BB01-3449 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)N2 BB12-2742 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 BB26-0255 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1149 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-5002 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 BB12-2943 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.4529 NC1=CC=C2SC(C(=O)O)=CC2=C1 BB57-7042 [0,1,0,1,0,0|0,1,0]=3 128 B14R2.4529 NC1=CC=C2SC(C(=O)[O-])=CC2=C1 BB56-1828 [0,1,0,1,0,0|0,1,1]=4 129 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 BB54-2925 [0,1,0,1,0,0|1,0,0]=3 130 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 BB58-1551 [0,1,0,1,0,0|0,1,0]=3 131 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 BB58-1540 [0,1,0,1,0,0|0,1,0]=3 132 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 BB58-1539 [0,1,0,1,0,0|0,1,0]=3 133 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BB54-1066 [0,1,0,1,0,0|0,0,0]=2 134 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 BB20-4570 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 BB56-0738 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 BB56-0739 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2S1 BB56-1661 [0,1,0,1,0,0|0,1,0]=3 138 B14R2.4529 O=C(O)C1=CC2=CC=C(I)C=C2N1 BB56-1734 [0,1,0,1,0,0|1,0,0]=3 139 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 BB05-4366 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 BB56-1825 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)C=C2N1 BB54-3903 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.4529 O=C([O-])C1=CC2=CC=C(Cl)C=C2S1 BB56-1728 [0,1,0,1,0,0|0,1,1]=4 143 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 BB11-0045 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BB12-4600 [0,1,0,1,0,0|1,0,0]=3 145 B14R2.1801 N#CC1=CC=C2C(O)=CC=CC2=N1 BB32-3566 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.61 CC1=C(C(=O)O)C=NC=C1 BB54-3738 [0,0,0,0,2,0|2,0,0]=4 149 B10R1.61 NC(=O)C1=CC=CC=C1O BB01-7441 [0,0,0,0,2,0|1,0,0]=3 150 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [0,0,0,0,2,0|2,0,0]=4 151 B10R1.61 NC1=C(C(=O)O)C=NC=C1 BB54-5043 [0,0,0,0,2,0|2,0,0]=4 152 B10R1.61 O=C(O)C1=CC=NC=C1Br BB54-2936 [0,0,0,0,2,0|2,0,0]=4 153 B10R1.61 O=C(O)C1=NC=CN=C1O BB54-4457 [0,0,0,0,2,0|2,0,0]=4