0 B9R1.8 BrCC[N+]1=CC=CC=C1 BB0266020 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CCNC1=CC=CN=C1 BB0269511 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 NCCC1=NC=CN=C1 BB0250750 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 NNCC1=CC=CC=C1 BB0219935 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.8 OCCC1=CC=CC=C1 BB0267987 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 O\N=C\C1=CN=CC=C1 BB0290909 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C=CC1=CC=CN=C1 BB0267984 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.2 CCC1=CC=CN=C1 BB0263315 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.2 COC1=CC=CC=C1 BB0266015 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.2 NCC1=CC=CN=C1 BB0216501 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.2 NCC1=CC=CN=N1 BB0268144 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 NCC1=NC=CN=C1 BB0237472 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 OCC1=CN=CN=C1 BB0268386 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 OCC1=NC=CC=C1 BB0265957 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.1 CC1=CC=C(CNN)C=C1 BB0219962 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.1 N#CCC1=CC=C(N)C=C1 BB0266744 [0,1,0,0,0,0|0,0,2]=3 16 B10R1.1 NNCC1=CC=C(Cl)C=C1 BB0219968 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.1 NNCC1=CC=C(F)C=C1 BB0219969 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.1 OCCC1=CC=C(F)C=C1 BB0267975 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.1 O\N=C\C1=CC=C(O)C=C1 BB0256552 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.4 CC1=C(CNN)C=CC=C1 BB0219970 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.4 CCOC1=CC=CN=C1Br BB0270369 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.4 NCCN1N=CC=CC1=O BB0270149 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.4 NNCC1=C(Cl)C=CC=C1 BB0266305 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 BB0290874 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BB0290839 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.10 CCNC1=CC(C)=CC=C1 BB0287324 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.10 CCNC1=NC(C)=CC=C1 BB0269505 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.10 CCOC1=CC(N)=CC=C1 BB0268130 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.10 CNCC1=CC=CC(F)=C1 BB0270505 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.10 NCCC1=CC=CC(F)=C1 BB0263137 [0,1,0,0,0,0|0,0,0]=1 31 B10R1.10 NNCC1=CC=CC(Cl)=C1 BB0262154 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.10 NNCC1=CC=CC(F)=C1 BB0270294 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.10 O\N=C\C1=CC(O)=CC=C1 BB0291837 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB0270313 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.15 CC[C@H](N)C1=CC=CC=C1 BB0293055 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.15 CN(C=O)C1=CC=CC=C1 BB0258777 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.15 C\C(=N/O)C1=CC=CC=C1 BB0268020 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.17 C#CCOC1=CN=CC=C1 BB0268294 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.17 CNCCC1=CC=NC=C1 BB0267842 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.17 NCCCC1=NC=CC=C1 BB0251676 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 BB0269449 [0,1,0,0,0,0|1,0,1]=3 42 B10R1.18 CC(=O)CC1=NC=CC=C1 BB0255238 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.18 CC(C)NC1=CC=CC=C1 BB0268013 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.18 N=C(N)CC1=CC=CC=C1 BB0240259 [0,1,0,0,0,0|0,0,1]=2 45 B10R1.18 O=C(O)CC1=CN=CC=C1 BB0259224 [0,1,0,0,0,0|2,0,1]=4 46 B10R2.7 C1=CC2=C(C=C1)NN=C2 BB0219702 [0,0,0,1,0,0|1,0,1]=3 47 B10R2.7 C1=CC2=C(C=N1)NN=C2 BB0272399 [0,0,0,1,0,0|2,0,1]=4 48 B10R2.7 C1=CC2=NSN=C2C=C1 BB0266571 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.8 BrCCC1=CC=CS1 BB0256668 [0,0,0,0,1,0|2,0,0]=3 50 B8R1.8 CNCC1=CC=CO1 BB0257378 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.8 CNCC1=CC=CS1 BB0279516 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.8 NCCC1=CSC=C1 BB0257696 [0,0,0,0,1,0|1,0,0]=2 53 B8R1.8 NCCN1C=CC=C1 BB0260251 [0,0,0,0,1,0|1,0,0]=2 54 B8R1.8 NCCN1C=CC=N1 BB0267461 [0,0,0,0,1,0|2,0,0]=3 55 B8R1.8 NCCN1C=CN=C1 BB0219897 [0,0,0,0,1,0|2,0,0]=3 56 B8R1.8 OCCN1C=CC=N1 BB0267469 [0,0,0,0,1,0|3,0,0]=4 57 B7R1.3 IC1=CN=CC=C1 BB0267981 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 NC1=NC=CC=C1 BB0267621 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.1 COC1=CC=C(I)C=C1 BB0265908 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.1 CSC1=CC=C(O)C=C1 BB0267047 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.1 ClCC1=CN=C(Cl)C=C1 BB0269353 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.2 CC1=CC(CN)=NC=C1 BB0261507 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.2 CC1=CC=CC(CCl)=C1 BB0267832 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.2 CC1=CC=CC(CN)=N1 BB0254864 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.2 COC1=CC(N)=NC=C1 BB0261655 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 NC1=NC=CC(CO)=C1 BB0240652 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 NCC1=CC(Cl)=NC=C1 BB0262964 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.2 OCC1=CC=CC(F)=C1 BB0220499 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.2 OCC1=CC=CC(O)=N1 BB0260666 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.6 C=C(C)C1=CC=CC=C1 BB0220511 [1,1,0,0,0,0|0,0,1]=3 71 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 BB0267980 [1,1,0,0,0,0|0,0,0]=2 72 B9R1.6 C[C@H](O)C1=CC=CC=C1 BB0265980 [1,1,0,0,0,0|0,0,0]=2 73 B9R1.6 N=C(N)C1=CC=CN=C1 BB0221335 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.6 O=C(O)C1=CC=CC=C1 BB0269653 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.6 OB(O)C1=CC=CC=C1 BB0287082 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.15 BrCC1=CC=CN=C1Br BB0268113 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.15 CC1=C(CCl)C=CC=C1 BB0267833 [1,1,0,0,0,0|1,0,0]=3 78 B9R1.15 COC1=C(I)C=CC=C1 BB0265900 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.15 ClCC1=C(Cl)C=CC=C1 BB0267828 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.15 FC1=C(CCl)C=CC=C1 BB0267834 [1,1,0,0,0,0|1,0,0]=3 81 B9R1.15 N#CC1=C(Br)C=CC=C1 BB0268023 [1,1,0,0,0,0|0,0,2]=4 82 B9R1.15 N#CC1=C(I)C=CC=C1 BB0268027 [1,1,0,0,0,0|0,0,2]=4 83 B9R1.15 N#CC1=C(N)C=CC=C1 BB0269557 [1,1,0,0,0,0|0,0,2]=4 84 B9R1.15 NCC1=C(I)C=CC=C1 BB0265882 [1,1,0,0,0,0|0,0,0]=2 85 B9R1.15 NCC1=NC=CN=C1Cl BB0268258 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 OCC1=C(I)C=CC=C1 BB0265909 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.7 NCCC1=CSC(N)=N1 BB0254141 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.11 NCC(=O)C1=CSC=C1 BB0269535 [0,1,0,0,1,0|1,0,1]=4 89 B9R1.11 NC[C@H](O)C1=CSC=C1 BB0270537 [0,1,0,0,1,0|1,0,0]=3 90 B9R1.12 CCNCC1=CC=CO1 BB0259272 [0,1,0,0,1,0|2,0,0]=4 91 B9R1.12 NCCCC1=NNC=C1 BB0267341 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.12 NCCCN1C=CC=N1 BB0267550 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.13 C[C@H](N)CN1C=CC=N1 BB0269479 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.33 CC1=NC=CN1CCN BB0219985 [0,1,0,0,1,0|2,0,0]=4 95 B11R1.1 C=CCOC1=CC=C(N)C=C1 BB0288128 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.1 CC1=CC=C(NCCO)C=C1 BB0266948 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.1 CC1=CC=C(SCCBr)C=C1 BB0263206 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.1 CCNCC1=CC=C(Cl)C=C1 BB0290024 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.1 NCCOC1=CC=C(F)C=C1 BB0220197 [0,2,0,0,0,0|0,0,0]=2 100 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB0266928 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 BB0270412 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 BB0270411 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB0244247 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 BB0267785 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 BB0258968 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 BB0258400 [0,2,0,0,0,0|0,0,0]=2 107 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 BB0293086 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 BB0269544 [0,2,0,0,0,0|0,0,1]=3 109 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB0240957 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB0269546 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.83 CCCC1=CC=C(OC)C=C1 BB0268004 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.83 CCNC1=CC=C(CC)C=C1 BB0269507 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.83 CCOC1=CC=C(CO)C=C1 BB0290359 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.83 COC1=CC=C(CNN)C=C1 BB0219963 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 BB0268267 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.192 CCOC1=CC(N)=C(N)C=C1 BB0244868 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.17 C=CCOC1=C(N)C=CC=C1 BB0288977 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.17 CC1=C(OCCN)C=CC=C1 BB0288800 [0,2,0,0,0,0|0,0,0]=2 119 B11R1.17 CCNCC1=C(Cl)C=CC=C1 BB0289989 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.17 NCCCN1N=CC=CC1=O BB0270148 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.41 CCOC1=C(NC)C=CC=C1 BB0252391 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.41 COC1=C(CNN)C=CC=C1 BB0219964 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.86 CC(C)OC1=C(N)C=CC=C1 BB0292995 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 BB0218375 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.86 CN(C)CC1=C(O)C=CC=C1 BB0288892 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 BB0267020 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.86 NC(=S)NC1=C(O)C=CC=C1 BB0245298 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.86 NC1=C(OC(F)F)C=CC=C1 BB0245674 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 BB0269522 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 BB0268068 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.182 CC1=CC(CNN)=C(C)C=C1 BB0270450 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BB0240952 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BB0263436 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.605 CCOC1=C(Cl)C=CC=C1N BB0216521 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 BB0272995 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.24 C=CCOC1=CC(N)=CC=C1 BB0293048 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.24 CC1=CC=CC(NCCO)=C1 BB0266927 [0,2,0,0,0,0|1,0,0]=3 138 B11R1.24 NCCOC1=CC=CC(Cl)=C1 BB0219931 [0,2,0,0,0,0|0,0,0]=2 139 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 BB0270414 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.157 NC(=S)NC1=CC=CC(Cl)=C1 BB0266753 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.7 C[C@](O)(CN)C1=CC=CC=C1 BB0270540 [0,2,0,0,0,0|0,0,0]=2 142 B11R1.12 CC\C(=N\O)C1=CC=CC=C1 BB0293018 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.28 C=CCNCC1=CC=CC=C1 BB0265886 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.28 CCCNCC1=CC=CC=C1 BB0220577 [0,2,0,0,0,0|1,0,0]=3 145 B11R1.28 CCCNCC1=CC=CC=C1 BB0283704 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.28 NCCCCC1=CC=NC=C1 BB0268277 [0,2,0,0,0,0|1,0,0]=3 147 B11R1.28 OCC\N=C\C1=CC=CC=C1 BB0258827 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.40 CCC(=O)NC1=CC=CC=C1 BB0280635 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 BB0265962 [0,2,0,0,0,0|1,0,0]=3 150 B11R1.40 NCC(=O)NC1=CC=CC=C1 BB0254727 [0,2,0,0,0,0|0,0,1]=3 151 B11R1.40 NNC(=O)CC1=CC=CC=C1 BB0274905 [0,2,0,0,0,0|0,0,1]=3 152 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 BB0262987 [0,2,0,0,0,0|0,0,0]=2 153 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB0257989 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB0237139 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.509 CC(C)(O)CC1=CC=CC=C1 BB0220510 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 BB0258884 [0,2,0,0,0,0|2,0,0]=4 157 B11R2.34 BrC1=CC=C(C2CC2)C=C1 BB0262640 [0,1,0,1,0,0|1,0,0]=3 158 B11R2.34 NC1=CC=C(C2CC2)C=C1 BB0223485 [0,1,0,1,0,0|1,0,0]=3 159 B11R2.34 OC1=CC=C(C2CC2)C=C1 BB0223487 [0,1,0,1,0,0|1,0,0]=3 160 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 BB0270465 [0,1,0,1,0,0|1,0,1]=4 161 B11R2.36 CC1=CC2=C(C=C1)N=CN2 BB0266899 [0,1,0,1,0,0|1,0,1]=4 162 B11R2.36 CC1=CC2=C(C=C1)NC=N2 BB0219447 [0,1,0,1,0,0|1,0,1]=4 163 B11R2.36 FC1=CC2=C(C=C1)CNC2 BB0268331 [0,1,0,1,0,0|2,0,0]=4 164 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB0240414 [0,1,0,1,0,0|1,0,1]=4 165 B11R2.10 NC1=NC2=C(C=CC=C2)O1 BB0221056 [0,1,0,1,0,0|1,0,1]=4 166 B11R2.10 NC1=NC2=C(C=CC=C2)S1 BB0240617 [0,1,0,1,0,0|1,0,1]=4 167 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB0257524 [0,1,0,1,0,0|0,0,1]=3 168 B11R2.10 O=C1NC2=C(C=CC=C2)N1 BB0242764 [0,1,0,1,0,0|1,0,1]=4 169 B11R2.20 C1=CC2=C(C=C1)NCCN2 BB0237200 [0,1,0,1,0,0|0,0,0]=2 170 B11R2.20 C1=CC2=C(C=C1)OCCN2 BB0237409 [0,1,0,1,0,0|0,0,0]=2 171 B11R2.20 C1=CC2=C(C=N1)CCCN2 BB0270122 [0,1,0,1,0,0|1,0,0]=3 172 B11R2.55 NC1=C(C2CC2)C=CC=C1 BB0221192 [0,1,0,1,0,0|1,0,0]=3 173 B11R2.106 BrC1=C2C=NNC2=CC=C1 BB0268318 [0,1,0,1,0,0|1,0,1]=4 174 B11R2.106 BrC1=C2CNCC2=CC=C1 BB0268326 [0,1,0,1,0,0|2,0,0]=4 175 B11R2.106 CC1=CC=CC2=C1NN=C2 BB0267132 [0,1,0,1,0,0|1,0,1]=4 176 B11R2.106 ClC1=C2NN=NC2=CC=C1 BB0246178 [0,1,0,1,0,0|2,0,0]=4 177 B11R2.35 OC1=CC(C2CC2)=CC=C1 BB0223488 [0,1,0,1,0,0|1,0,0]=3 178 B11R2.1 NC1=NOC2=C1C=CC=C2 BB0218926 [0,1,0,1,0,0|1,0,1]=4 179 B11R2.1 N[C@H]1CCC2=NC=CC=C21 BB0268261 [0,1,0,1,0,0|1,0,0]=3 180 B7R1.1 CCN1C=CC=N1 BB0257844 [1,0,0,0,1,0|2,0,0]=4 181 B7R1.1 NCC1=CN=CS1 BB0250850 [1,0,0,0,1,0|2,0,0]=4