0 B11R1.12 N#C\C(=C/[O-])C1=CC=CC=C1 BB57-4207 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 COC(=O)C1=CC=CC=N1 BB01-7838 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BB05-0881 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.15 NNC(=O)C1=CC=CC=N1 BB55-0722 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 NNC(=O)C1=CC=CN=C1 BB01-6330 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 NNC(=O)C1=CC=NC=C1 BB01-2496 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.15 NNC(=S)C1=CC=CC=C1 BB17-0201 [1,0,0,0,0,0|2,1,0]=4 7 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB05-1988 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BB57-4781 [0,1,0,0,0,0|0,0,2]=3 9 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 BB57-5988 [0,1,0,0,0,0|1,0,1]=3 10 B12R2.1 N#CC1=CNC2=CC=CC=C12 BB01-0917 [0,0,0,1,0,0|2,0,1]=4 11 B12R2.2 C1=CN=C(C2=CNN=C2)C=C1 BB20-1439 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.6 CC(=O)C1=NC=CN=C1 BB01-0984 [2,0,0,0,0,0|2,0,0]=4 13 B9R1.6 N=C(N)C1=CC=CC=C1 BB01-6195 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.6 NC(=O)C1=CC=CC=C1 BB01-2129 [2,0,0,0,0,0|1,0,0]=3 15 B9R1.6 NC(=O)C1=CC=CC=N1 BB01-5863 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.6 NN(C)C1=CC=CC=C1 BB01-7902 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.8 O=CCC1=CC=CC=C1 BB01-5910 [2,0,0,0,0,0|0,0,1]=3 18 B11R1.16 O=C(CCCl)C1=CC=CC=C1 BB01-6249 [1,1,0,0,0,0|0,0,1]=3 19 B11R1.16 O=C(NCO)C1=CC=CN=C1 BB57-4503 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB01-4128 [1,1,0,0,0,0|0,0,1]=3 21 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 BB01-7807 [1,1,0,0,0,0|0,0,1]=3 22 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 BB57-1172 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.22 CNC(=O)C1=CN=C(Br)C=C1 BB31-6597 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.22 COC(=O)C1=CC=C(C)N=C1 BB20-3109 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.22 COC(=O)C1=CC=C(F)C=C1 BB01-6087 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB58-0104 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BB01-5048 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 BB01-4718 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 BB01-3609 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BB01-2153 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 BB01-6373 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 BB58-4704 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 BB55-4688 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 BB01-6335 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 BB57-1534 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.23 COC(=O)C1=CC(F)=CC=C1 BB01-6089 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.23 COC(=O)C1=CC=CC(N)=C1 BB17-0320 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 BB01-4965 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 BB01-7995 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 BB17-1115 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.23 NNC(=O)C1=CC=CC(O)=C1 BB55-0720 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 BB01-6272 [1,1,0,0,0,0|0,0,1]=3 43 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BB01-6305 [1,1,0,0,0,0|0,0,1]=3 44 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 BB01-6345 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BB01-6079 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 BB57-2486 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 BB57-5866 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BB17-2141 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.222 COC(=O)C1=C(F)C=CC=C1 BB01-6088 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.222 COC(=O)C1=CC=CN=C1N BB01-7871 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.222 COC(=O)C1=CC=CNC1=O BB20-6587 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 BB01-3413 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BB01-6317 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.222 NNC(=O)C1=CC=CC=C1Br BB01-8008 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.222 NNC(=O)C1=CC=CC=C1F BB01-6365 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.222 NNC(=O)C1=CC=CC=C1I BB55-0726 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.222 NNC(=O)C1=CC=CC=C1O BB01-6316 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 BB01-6556 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 BB01-5022 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O BB57-4097 [0,1,0,0,0,1|0,0,2]=4 61 B13R1.532 CCC(C(=O)NN)C1=CC=CC=C1 BB01-5071 [0,2,0,0,0,0|0,0,2]=4 62 B13R1.532 CCN(C(=O)CCl)C1=CC=CC=C1 BB01-5127 [0,2,0,0,0,0|1,0,1]=4 63 B13R1.3085 CCC(N)(C(=O)O)C1=CC=CC=C1 BB57-6650 [0,2,0,0,0,0|0,0,2]=4 64 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [1,0,0,1,0,0|1,0,0]=3 65 B11R2.1 CC1=NNC2=CC=CC=C21 BB57-2499 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.1 O=C1NNC2=C1C=CC=C2 BB20-2294 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.1 O=C1NSC2=CC=CC=C12 BB01-6797 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.1 O=C1OCC2=C1C=CC=C2 BB01-6204 [1,0,0,1,0,0|1,0,0]=3 69 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 BB57-6214 [0,0,0,1,0,1|1,0,0]=3 70 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BB57-7194 [0,0,0,1,0,1|1,0,0]=3 71 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 BB01-5679 [0,0,0,1,0,1|1,0,1]=4 72 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [0,0,0,1,0,1|1,0,1]=4 73 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 BB01-5977 [0,0,0,1,0,1|0,0,1]=3 74 B13R2.1 NCCC1=CNC2=CC=CC=C12 BB57-2086 [0,1,0,1,0,0|1,0,1]=4 75 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 BB57-5357 [0,1,0,1,0,0|0,1,0]=3 76 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)N1 BB52-6881 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 BB05-0099 [0,1,0,1,0,0|1,1,0]=4 78 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 BB55-0142 [0,1,0,1,0,0|1,1,0]=4 79 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 BB01-2558 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 BB01-4561 [0,1,0,1,0,0|1,0,0]=3 81 B13R2.2931 CN1C=C(C=O)C2=C1C=CC=C2 BB01-4557 [0,1,0,1,0,0|0,0,0]=2 82 B13R2.2136 C(=O)C1=CNC2=CC=C(Cl)C=C21 BB57-0303 [0,1,0,1,0,0|1,0,0]=3 83 B13R2.2136 O=CC1=CNC2=CC=C(Br)C=C12 BB17-1352 [0,1,0,1,0,0|1,0,0]=3 84 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 BB01-4547 [0,1,0,1,0,0|0,0,0]=2 85 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 BB55-8894 [0,1,0,1,0,0|1,0,1]=4 86 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 BB58-4977 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N/O BB01-8003 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 BB17-2375 [0,1,0,1,0,0|1,0,0]=3 89 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 BB01-3057 [0,1,0,1,0,0|1,0,1]=4 90 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 BB01-6108 [0,1,0,1,0,0|1,0,0]=3 91 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 BB55-0123 [0,1,0,1,0,0|1,0,0]=3 92 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 BB01-5800 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.439 O=C(O)C1(C2=CC=CC=C2)CC1 BB57-4701 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.11 CCC(=O)C1=CC=CS1 BB01-4952 [1,0,0,0,1,0|1,0,1]=4 95 B9R1.11 CNC(=O)C1=CC=CN1 BB20-0004 [1,0,0,0,1,0|2,0,0]=4 96 B11R1.40 CCC(=O)CC1=CC=CC=C1 BB57-4116 [1,0,0,0,0,1|0,0,1]=3 97 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB01-5922 [1,0,0,0,0,1|0,0,0]=2 98 B11R1.40 NCC(=O)NC1=CC=CC=C1 BB58-5120 [1,0,0,0,0,1|1,0,1]=4 99 B11R1.40 NNC(=O)CC1=CC=CC=C1 BB01-5971 [1,0,0,0,0,1|2,0,0]=4 100 B11R1.40 O=C(CCl)NC1=CC=CC=C1 BB12-3619 [1,0,0,0,0,1|1,0,1]=4