0 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 BB01-8134 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 BB01-3970 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 BB05-0210 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CN1C2=CC=CC=C2N=C1S BB57-1880 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB01-6155 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [1,0,0,0,0,0|1,0,0]=2 6 B11R2.1 CC1=NNC2=CC=CC=C21 BB57-2499 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 CC1=NNC2=NC=CC=C12 BB58-4531 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 CN1N=NC2=CC=CC=C21 BB58-1288 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 IC1=CNC2=NC=CC=C12 BB20-1522 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 NC1=NNC2=C1C=CC=C2 BB58-1538 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 NC1=NOC2=CC=CC=C21 BB01-4574 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 O=C1NNC2=C1C=CC=C2 BB20-2294 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 O=C1NSC2=CC=CC=C12 BB01-6797 [1,0,0,0,0,0|2,1,0]=4 14 B11R2.1 O=C1OCC2=C1C=CC=C2 BB01-6204 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.10 CC1=NC2=C(C=CC=C2)S1 BB01-7803 [1,0,0,0,0,0|1,1,0]=3 16 B11R2.10 CN1N=C2C=CC=CC2=N1 BB58-5196 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 BB01-6283 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 BB01-8318 [1,0,0,0,0,0|2,1,0]=4 19 B11R2.10 ClC1=NC2=CC=CC=C2N1 BB01-8305 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.10 NC1=NC2=C(C=CC=C2)N1 BB20-0076 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.10 NC1=NC2=C(C=CC=C2)S1 BB01-5914 [1,0,0,0,0,0|2,1,0]=4 22 B11R2.10 O=C1CC2=C(C=CC=C2)C1 BB01-8363 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.10 SC1=NC2=C(C=CC=C2)O1 BB01-6019 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 BB58-1337 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.45 CN1C2=C(C=CC=C2)S\C1=N\N BB01-5934 [0,1,0,0,0,0|2,1,0]=4 26 B13R2.45 CN1C2=CC=CC=C2N=C1CN BB01-4652 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 BB57-6214 [0,1,0,0,0,0|1,1,1]=4 28 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 BB01-4547 [0,1,0,0,0,0|1,0,1]=3 29 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 BB55-8894 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.135 CCN1C2=CC=CC=C2N=C1S BB58-1838 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 BB58-4977 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O BB01-8003 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 BB17-2375 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O BB01-4591 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O BB17-2253 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O BB01-6339 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O BB01-6331 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O BB01-4590 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O BB01-4214 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O BB55-8108 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.4856 CC1=C(C)C2=C(N=CN=C2Cl)S1 BB55-6841 [0,1,0,0,0,0|2,1,0]=4 42 B13R2.4856 CC1=C(C)C2=C(N=CNC2=O)S1 BB01-2675 [0,1,0,0,0,0|2,1,0]=4 43 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O BB01-4994 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 BB01-6272 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BB01-6305 [0,0,1,0,0,0|1,0,1]=3 46 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 BB01-6345 [0,0,1,0,0,0|2,0,1]=4 47 B11R1.40 CCC(=O)CC1=CC=CC=C1 BB57-4116 [0,0,1,0,0,0|2,0,1]=4 48 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB01-5922 [0,0,1,0,0,0|2,0,0]=3 49 B11R1.41 CCOC1=CC=CC=C1CN BB01-5240 [0,0,1,0,0,0|1,0,2]=4 50 B11R1.41 CNCC1=C(OC)C=CC=C1 BB58-0562 [0,0,1,0,0,0|3,0,0]=4 51 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 BB57-2486 [0,0,1,0,0,0|3,0,0]=4 52 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 BB57-5866 [0,0,1,0,0,0|2,0,0]=3 53 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BB17-2141 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.222 COC(=O)C1=C(F)C=CC=C1 BB01-6088 [0,0,1,0,0,0|3,0,0]=4 55 B11R1.222 NNC(=O)C1=CC=CC=C1O BB01-6316 [0,0,1,0,0,0|3,0,0]=4 56 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB17-0559 [0,0,0,0,0,1|1,0,0]=2 57 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 BB58-0123 [0,0,0,0,0,1|2,0,0]=3 58 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 BB58-5185 [0,0,0,0,0,1|3,0,0]=4 59 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 BB01-2473 [0,0,0,0,0,1|3,0,0]=4 60 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 BB58-4563 [0,0,0,0,0,1|2,0,0]=3 61 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 BB01-8370 [0,0,0,0,0,1|2,0,0]=3 62 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 BB01-2812 [0,0,0,0,0,1|2,0,0]=3 63 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 BB01-5981 [0,0,0,0,0,1|3,0,0]=4 64 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 BB01-0958 [0,0,0,0,0,1|3,0,0]=4 65 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 BB01-7795 [0,0,0,0,0,1|2,0,0]=3 66 B13R2.328 O=C1N=C(S)SC2=CC=CC=C12 BB52-7606 [0,0,0,0,0,1|2,1,0]=4 67 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 BB01-7785 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.328 O=C1NC(S)=NC2=C1C=CC=C2 BB57-2391 [0,0,0,0,0,1|3,0,0]=4 69 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BB57-5138 [0,0,0,0,0,1|2,0,0]=3 70 B13R2.369 CC1=NC2=CC=CC=C2NC1=O BB01-2991 [0,0,0,0,0,1|2,0,0]=3 71 B13R2.369 CC1NC2=CC=CC=C2NC1=O BB58-4464 [0,0,0,0,0,1|2,0,1]=4 72 B13R2.369 OC1=NC2=CC=CC=C2N=C1O BB01-5089 [0,0,0,0,0,1|3,0,0]=4 73 B13R2.369 SC1=NC2=CC=CC=C2N=C1S BB57-4838 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BB05-0881 [1,0,1,0,0,0|2,0,0]=4 75 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB05-1988 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.18 CC(=O)OC1=CC=CN=C1 BB57-3384 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.4 C=CCC1=C(O)C=CC=C1 BB01-3409 [1,0,1,0,0,0|0,0,2]=4 78 B10R1.4 CNCC1=CC=CC=C1C BB55-7028 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.4 O\N=C\C1=CC=CC=C1O BB01-2228 [1,0,1,0,0,0|2,0,0]=4 80 B10R1.20 CCC1=C(NC)C=CC=C1 BB01-3189 [1,0,1,0,0,0|1,0,1]=4 81 B10R1.20 CNC1=CC=CC=C1NC BB58-4628 [1,0,1,0,0,0|2,0,0]=4 82 B10R2.7 C1=CC=C2NN=CC2=C1 BB20-0656 [2,0,0,0,0,0|2,0,0]=4 83 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 BB57-7014 [0,1,1,0,0,0|1,0,1]=4 84 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 BB01-1061 [0,1,1,0,0,0|1,0,1]=4 85 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 BB32-1433 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BB57-4781 [0,1,1,0,0,0|1,0,1]=4 87 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 BB57-5988 [0,1,1,0,0,0|1,0,1]=4 88 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB55-5200 [0,1,1,0,0,0|1,0,1]=4 89 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BB01-4649 [0,1,1,0,0,0|1,0,1]=4 90 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O BB57-6615 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 BB57-1183 [0,1,1,0,0,0|0,0,2]=4 92 B12R1.75 CC(C)OC1=CC=CC=C1C=O BB01-4050 [0,1,1,0,0,0|1,0,1]=4 93 B12R1.112 CCOC1=CC=C(Br)C=C1C=O BB05-0721 [0,1,1,0,0,0|1,0,1]=4 94 B12R1.112 CCOC1=CC=C(Br)C=C1C=O BB55-0901 [0,1,1,0,0,0|1,0,1]=4 95 B12R1.112 CCOC1=CC=C(Cl)C=C1C=O BB55-0889 [0,1,1,0,0,0|1,0,1]=4 96 B12R1.121 C=CCOC1=CC=CC=C1C=O BB55-2877 [0,1,1,0,0,0|1,0,1]=4 97 B12R1.121 COC1=CC=CC=C1OCCN BB01-4690 [0,1,1,0,0,0|1,0,1]=4 98 B12R1.121 O=CC1=C(OCCBr)C=CC=C1 BB58-4764 [0,1,1,0,0,0|1,0,1]=4 99 B12R1.283 CCOC1=CC=CC=C1C(C)=O BB55-2313 [0,1,1,0,0,0|0,0,1]=3 100 B12R1.24 COC(=O)C1=C(O)C(C)=CC=C1 BB57-4501 [0,1,1,0,0,0|2,0,0]=4 101 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 BB57-4768 [0,1,1,0,0,0|1,0,1]=4 102 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O BB57-3991 [0,1,1,0,0,0|2,0,0]=4 103 B12R1.354 COC(=O)C1=CC(C)=CC=C1O BB58-5019 [0,1,1,0,0,0|2,0,0]=4 104 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 BB58-4553 [0,1,1,0,0,0|2,0,0]=4 105 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O BB20-6632 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.1703 C\C(=N/O)C1=CC=C(O)C=C1O BB55-3580 [0,1,1,0,0,0|2,0,0]=4 107 B12R2.1 N#CC1=CNC2=CC=CC=C12 BB01-0917 [1,1,0,0,0,0|1,0,1]=4 108 B12R2.132 O=C1COC2=C1C=C(F)C=C2 BB32-3028 [1,1,0,0,0,0|1,0,1]=4 109 B12R2.32 CCC1=NC2=C(C=CC=C2)S1 BB01-8168 [1,1,0,0,0,0|1,1,0]=4 110 B12R2.32 CSC1=NC2=NC=CC=C2O1 BB01-6708 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.32 ClCC1=CN2C=CC=CC2=N1 BB58-3547 [1,1,0,0,0,0|2,0,0]=4 112 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 BB58-0369 [1,1,0,0,0,0|1,0,0]=3 113 B12R2.32 ClCC1=NC2=CC=CC=C2N1 BB01-4159 [1,1,0,0,0,0|2,0,0]=4 114 B12R2.32 N#CC1=CC2=CC=CC=C2O1 BB58-4707 [1,1,0,0,0,0|0,0,1]=3 115 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 BB01-3787 [1,1,0,0,0,0|2,0,0]=4 116 B12R2.32 O=CC1=CC2=CC=CC=C2S1 BB58-0480 [1,1,0,0,0,0|0,1,1]=4 117 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 BB57-5255 [1,1,0,0,0,0|1,1,0]=4 118 B12R2.202 CC1=CC=CC2=CC(=O)N=C12 BB31-7827 [1,1,0,0,0,0|2,0,0]=4 119 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 BB01-4589 [1,1,0,0,0,0|1,0,0]=3 120 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 BB57-0361 [1,1,0,0,0,0|1,0,0]=3 121 B12R2.606 CC1=CC=C2NC(C)=NC2=C1 BB58-1921 [1,1,0,0,0,0|2,0,0]=4 122 B12R2.606 CC1=NC2=CC(O)=CC=C2S1 BB55-7898 [1,1,0,0,0,0|1,1,0]=4 123 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 BB57-2374 [1,1,0,0,0,0|2,0,0]=4 124 B12R2.606 O=C1CC2=CC(O)=CC=C2O1 BB57-4868 [1,1,0,0,0,0|1,0,1]=4 125 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 BB55-6668 [1,1,0,0,0,0|2,0,0]=4 126 B12R2.606 O=C1NC2=CC(Br)=CC=C2O1 BB01-2820 [1,1,0,0,0,0|2,0,0]=4 127 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 BB01-7816 [1,1,0,0,0,0|2,0,0]=4 128 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BB01-1137 [1,1,0,0,0,0|2,0,0]=4 129 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O BB01-7786 [0,1,0,0,0,1|1,0,1]=4 130 B14R2.8188 O=C1OC2=CC=CC=C2C(O)=C1Br BB57-5016 [0,1,0,0,0,1|2,0,0]=4 131 B14R2.1019 O=C1NC(CCl)=NC2=CC=CC=C12 BB01-2588 [0,1,0,0,0,1|2,0,0]=4 132 B14R2.8045 CC1=CC(=O)NC2=C1C=CC=C2C BB57-5414 [0,1,0,0,0,1|2,0,0]=4 133 B14R2.8235 CC1=CC=C2N=C(Cl)C=C(C)C2=C1 BB57-7051 [0,1,0,0,0,1|2,0,0]=4 134 B14R2.8235 CC1=CC=C2NC(=O)C=C(C)C2=C1 BB57-5498 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 BB01-4997 [0,1,0,0,0,1|2,0,0]=4 136 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 BB05-1313 [0,1,0,0,0,1|1,0,0]=3 137 B14R2.29365 CC1=CC(=O)OC2=CC(O)=CC=C12 BB01-6113 [0,1,0,0,0,1|1,0,0]=3 138 B14R2.29365 CC1=CC(C)=NC2=NC(N)=CC=C12 BB57-5040 [0,1,0,0,0,1|2,0,0]=4 139 B14R2.1128 CCC1OC2=CC=CC=C2NC1=O BB01-2975 [0,1,0,0,0,1|1,0,1]=4 140 B14R2.8239 CC1=NC2=CC=C(N)C=C2N=C1C BB57-4582 [0,1,0,0,0,1|1,0,0]=3 141 B14R2.44 CN1C2=CC=CC=C2N=C1CCN BB01-4653 [0,2,0,0,0,0|2,0,0]=4 142 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BB55-0070 [0,2,0,0,0,0|0,0,1]=3 143 B14R2.1060 CC1=C(C=O)NC2=CC=C(Cl)C=C21 BB55-6974 [0,2,0,0,0,0|1,0,1]=4 144 B14R2.1060 CC1=C(C=O)NC2=CC=C(F)C=C21 BB57-1246 [0,2,0,0,0,0|1,0,1]=4 145 B14R2.1060 CC1=C(CO)NC2=CC=C(Cl)C=C21 BB55-6995 [0,2,0,0,0,0|1,0,0]=3 146 B14R2.1095 CC1=CC=C2C(=C1)N=C(CO)N2C BB58-1824 [0,2,0,0,0,0|2,0,0]=4 147 B14R2.2151 CC1=C2NC(CO)=C(C)C2=CC=C1 BB55-6996 [0,2,0,0,0,0|1,0,0]=3 148 B14R2.19306 CC1=C(C#N)C2=CC=CC=C2N1C BB58-1346 [0,2,0,0,0,0|1,0,1]=4 149 B14R2.19306 CC1=C(C=O)C2=C(C=CC=C2)N1C BB01-4593 [0,2,0,0,0,0|1,0,1]=4 150 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BB01-7793 [0,0,1,1,0,0|1,0,1]=4