0 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BB05-0881 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 NNC(=O)C1=CC=CC=N1 BB55-0722 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 NNC(=O)C1=CC=CN=C1 BB01-6330 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 NNC(=O)C1=CC=NC=C1 BB01-2496 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 NNC(=S)C1=CC=CC=C1 BB17-0201 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB05-1988 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 OC(CBr)C1=CC=CC=C1 BB58-3926 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(N)C1=CC=CC=N1 BB01-4954 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 CC(N)C1=CC=NC=C1 BB01-4967 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 CC(N)C1=CN=CC=C1 BB01-4888 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 N=C(N)C1=CC=CC=C1 BB01-6195 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.6 N=C(N)C1=CC=NC=C1 BB58-4248 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 NC(=O)C1=CC=CC=C1 BB01-2129 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.6 NC(=O)C1=CC=CC=N1 BB01-5863 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 NC(=S)C1=CC=CN=C1 BB05-2712 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 NN(C)C1=CC=CC=C1 BB01-7902 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 OB(O)C1=CC=CC=C1 BB01-1068 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 CNCC1=CC=CN=C1 BB01-7899 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 N#CCC1=CC=NC=C1 BB01-6120 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.8 NCCC1=CC=CN=C1 BB01-0960 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 NCCC1=CC=NC=C1 BB01-0961 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 NCCC1=NC=CC=C1 BB01-0959 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 NNCC1=CC=CC=C1 BB58-2846 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 O=CCC1=CC=CC=C1 BB01-5910 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 S=C=NC1=CC=CC=C1 BB01-6169 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 BB55-6363 [0,1,0,0,0,0|0,0,2]=3 26 B11R1.7 NNS(=O)(=O)C1=CC=CC=C1 BB17-1121 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.16 CN(CCO)C1=NC=CC=C1 BB20-1277 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.16 O=C(CCCl)C1=CC=CC=C1 BB01-6249 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB01-4128 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 BB01-7807 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.22 CCC(N)C1=CC=C(C)C=C1 BB55-1057 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.22 COC(C)C1=CC=C(Br)C=C1 BB55-3662 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB58-0104 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BB01-5048 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 BB01-4718 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 BB01-3609 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BB01-2153 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 BB01-6373 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 BB58-4704 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.22 OC(CBr)C1=CC=C(F)C=C1 BB58-3907 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.23 CCC(N)C1=NC=CC(C)=C1 BB58-3616 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.23 NCC(O)C1=CC=CC(O)=C1 BB57-0249 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 BB01-4965 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 BB01-7995 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 BB17-1115 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.23 NNC(=O)C1=CC=CC(O)=C1 BB55-0720 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 BB01-6272 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BB01-6305 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 BB01-6345 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BB01-6079 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.222 CCC(N)C1=NC=CC=C1C BB58-3609 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 BB01-3413 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BB01-6317 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.222 NNC(=O)C1=CC=CC=C1Br BB01-8008 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.222 NNC(=O)C1=CC=CC=C1F BB01-6365 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.222 NNC(=O)C1=CC=CC=C1I BB55-0726 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.222 NNC(=O)C1=CC=CC=C1O BB01-6316 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 BB01-6556 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 BB01-5022 [0,1,0,0,0,0|2,0,1]=4 60 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [0,0,0,1,0,0|0,0,2]=3 61 B11R2.1 CC1=NNC2=CC=CC=C21 BB57-2499 [0,0,0,1,0,0|1,0,1]=3 62 B11R2.1 CC1=NNC2=NC=CC=C12 BB58-4531 [0,0,0,1,0,0|2,0,1]=4 63 B11R2.1 CN1N=NC2=CC=CC=C21 BB58-1288 [0,0,0,1,0,0|2,0,1]=4 64 B11R2.1 NC1=NNC2=C1C=CC=C2 BB58-1538 [0,0,0,1,0,0|2,0,1]=4 65 B11R2.1 NC1CCC2=C1C=CC=C2 BB01-6422 [0,0,0,1,0,0|2,0,0]=3 66 B11R2.1 O=C1NNC2=C1C=CC=C2 BB20-2294 [0,0,0,1,0,0|2,0,1]=4 67 B11R2.40 NC1(C2=CC=CC=C2)CC1 BB58-3672 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.11 CC(CO)N1C=CN=C1 BB57-3654 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.11 CCC(N)C1=CC=CS1 BB01-4366 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.40 CCC(=O)CC1=CC=CC=C1 BB57-4116 [0,0,0,0,0,1|2,0,1]=4 71 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB01-5922 [0,0,0,0,0,1|1,0,2]=4 72 B11R1.40 NCC(=O)NC1=CC=CC=C1 BB58-5120 [0,0,0,0,0,1|1,0,1]=3 73 B11R1.40 NNC(=O)CC1=CC=CC=C1 BB01-5971 [0,0,0,0,0,1|2,0,1]=4 74 B11R1.40 O=C(CCl)NC1=CC=CC=C1 BB12-3619 [0,0,0,0,0,1|2,0,1]=4 75 B8R1.2 ClCC1=NC=CC=C1 BB01-5949 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 NCC1=CC=CC=N1 BB01-5993 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.2 NCC1=CN=CC=C1 BB01-5994 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.2 NNC1=CC=CC=C1 BB01-6156 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.2 OCC1=CC=NC=C1 BB20-1264 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.13 CC(C)C1=CC=C(N)C=C1 BB01-6177 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.13 CC(C)C1=CC=C(S)C=C1 BB01-6052 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BB55-6377 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BB55-1645 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.13 CC(N)C1=CC=C(F)C=C1 BB01-4894 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.13 CC(O)C1=CC=C(Br)C=C1 BB58-0125 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.13 CC1=CC=C(C(C)N)C=C1 BB01-4884 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 BB58-3572 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BB01-8314 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 BB01-2753 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.13 NC(=O)C1=CC=C(F)C=C1 BB20-1199 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.61 CC(O)C1=CC=CC=C1N BB57-7132 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.61 CC1=CC=CN=C1C(C)N BB58-3601 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 BB58-4196 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.113 CC(C)C1=CC=CC(N)=C1 BB01-6060 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.113 CC1=CC(C(C)N)=NC=C1 BB58-3615 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BB01-8167 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.113 NC(=O)C1=CC(F)=CC=C1 BB17-0563 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.1 CCNC1=CC=C(C)C=C1 BB01-3200 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.1 CCSC1=CC=C(N)C=C1 BB57-4739 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.1 CNCC1=CC=C(C)C=C1 BB58-0561 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.1 CNCC1=CC=C(Cl)C=C1 BB58-0564 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 FC1=CC=C(CCBr)C=C1 BB20-2544 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.1 NC1=CC=C(CCO)C=C1 BB01-6117 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.4 C=CCC1=C(O)C=CC=C1 BB01-3409 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.4 CCNC1=C(F)C=CC=C1 BB01-8379 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.4 CNCC1=CC=CC=C1C BB55-7028 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.4 N#CCC1=C(Cl)C=CC=C1 BB57-1802 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.4 N#CCC1=C(F)C=CC=C1 BB01-6036 [1,1,0,0,0,0|0,0,2]=4 109 B10R1.10 CC1=CC=CC(CCBr)=C1 BB20-1304 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.10 CCNC1=CC(C)=CC=C1 BB01-3257 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.10 CCNC1=CC(Cl)=CC=C1 BB53-1759 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.10 CCOC1=CC=CC(O)=C1 BB20-1271 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.17 CCCNC1=CC=CC=C1 BB57-4946 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.17 CCNCC1=CC=NC=C1 BB01-5979 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.17 CNCCC1=CC=NC=C1 BB01-0962 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.17 CNCCC1=NC=CC=C1 BB01-6110 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.17 NCCOC1=CC=CC=C1 BB58-0604 [1,1,0,0,0,0|0,0,0]=2 118 B10R1.17 NCCSC1=CC=CC=C1 BB53-1253 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.17 O=C=NCC1=CC=CC=C1 BB01-4445 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.17 O=CNCC1=CC=CC=C1 BB20-1135 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.17 OCCNC1=CC=CC=C1 BB01-3862 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.17 OC\C=C\C1=CC=CC=C1 BB01-5912 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.17 S=C=NCC1=CC=CC=C1 BB01-6211 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.18 N=C(N)NC1=CC=CC=C1 BB01-2596 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.18 NC(=S)CC1=CC=CC=C1 BB57-5511 [1,1,0,0,0,0|0,0,1]=3 126 B10R1.18 NC(=S)NC1=CC=CC=C1 BB01-7403 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.32 CN(CCN)CC1=CC=CC=C1 BB01-5165 [0,1,0,0,0,1|1,0,0]=3 128 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB55-5200 [0,1,0,0,0,1|1,0,1]=4 129 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BB01-4649 [0,1,0,0,0,1|1,0,1]=4 130 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB55-5151 [0,1,0,0,0,1|1,0,1]=4 131 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 BB57-1183 [0,1,0,0,0,1|1,0,0]=3 132 B12R1.118 CCC(CN)CC1=CC=CC=C1 BB58-0581 [0,1,0,0,0,1|0,0,0]=2 133 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BB57-4781 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 BB57-5988 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.107 CC(SC(=N)N)C1=CC=CC=C1 BB57-4471 [0,2,0,0,0,0|0,0,1]=3 136 B12R1.107 CN(CC(N)=O)C1=CC=CC=C1 BB20-3363 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 BB01-4902 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB58-1714 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.20 CC(C1=CC=C(Br)C=C1)N(C)C BB55-3644 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 BB55-1639 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 BB55-1638 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F BB57-6707 [0,2,0,0,0,0|2,0,0]=4 143 B10R2.7 C1=CC=C2NN=CC2=C1 BB20-0656 [1,0,0,1,0,0|1,0,1]=4 144 B12R2.24 CC1CCC2=CC=CC=C2N1 BB57-6640 [0,0,0,1,0,1|1,0,0]=3 145 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 BB01-4856 [0,0,0,1,0,1|1,0,1]=4 146 B12R2.2 C1=CN=CC(C2CCCN2)=C1 BB01-7964 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.1081 CN1CCNC2=CC=CC=C21 BB58-4942 [0,1,0,1,0,0|1,0,0]=3 148 B12R2.1081 NC1CCCC2=C1C=CC=C2 BB01-4475 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.2028 CN1N=C(N)C2=CC=CC=C21 BB58-4662 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.7 CC(N)C1=CC=CO1 BB01-4826 [1,0,0,0,1,0|1,0,0]=3 151 B8R1.7 CC(N)C1=CC=CS1 BB01-4334 [1,0,0,0,1,0|1,0,0]=3 152 B8R1.8 NCCC1=CC=CS1 BB01-0963 [1,0,0,0,1,0|1,0,0]=3 153 B8R1.8 NCCC1=CNC=N1 BB01-4493 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.8 NCCN1C=CC=N1 BB05-1654 [1,0,0,0,1,0|2,0,0]=4 155 B12R1.27 NCC(O)COC1=CC=CC=C1 BB57-0160 [0,0,0,0,0,2|1,0,0]=3