0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 BB58-0616 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 BB54-4969 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB54-0376 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 BB54-0417 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 N=C(N)OCC1=CC=CC=C1 BB57-6018 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 N=C(N)SCC1=CC=CC=C1 BB57-2949 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB55-0680 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 BB26-0866 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 BB12-2877 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 BB32-3001 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 BB01-8027 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.147 CC(=O)NC(C)C1=CC=CC(N)=C1 BB55-4873 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.147 NC(CC(=O)O)C1=CC(I)=CC=C1 BB56-0130 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.152 CC(C(=O)O)N(C)C1=CC=CC=C1 BB58-0841 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.201 CC(=O)CC(=O)C1=C(Br)C=CC=C1 BB32-3227 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.201 CC(=O)CC(=O)C1=C(F)C=CC=C1 BB31-7739 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BB56-0119 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 BB58-1450 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.347 CC(N)CC(C)(C)C1=CC=CC=C1 BB58-0583 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.713 CC(=O)OC(C#N)C1=CC=CN=C1 BB55-8897 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BB54-0073 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 BB01-4298 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 BB54-5037 [0,0,0,1,0,0|1,0,1]=3 31 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 BB31-5154 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB54-0220 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 BB55-4970 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 BB05-2321 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.36 CC(C)C(N)C1=CC=CC=C1 BB58-0614 [0,0,0,0,1,0|2,0,1]=4 36 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 BB54-4112 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 BB01-2614 [0,0,0,0,1,0|2,0,0]=3 38 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,0,0,0,1,0|2,0,0]=3 39 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 BB58-0842 [0,0,0,0,0,1|3,0,0]=4 40 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 BB05-3085 [0,0,0,0,0,1|2,0,1]=4 41 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 BB12-2747 [0,0,0,0,0,1|2,0,1]=4 42 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [2,0,0,0,0,0|0,0,0]=2 44 B10R1.15 CCC(N)C1=CC=CC=C1 BB05-0915 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.15 CCC(N)C1=CC=CC=C1 BB55-1056 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 BB53-1661 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.21 CC1=CC=C(CNC(N)=O)C=C1 BB01-7609 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 BB01-7619 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BB01-7426 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.125 CC(=O)C#CC1=CC=CC=C1C BB58-2899 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.226 NC(=O)NCC1=CC(F)=CC=C1 BB01-7606 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BB54-1054 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 BB12-4088 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 BB32-3804 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 BB31-8873 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 BB56-0268 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BB56-0239 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 BB31-6647 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.124 CC1=CC=CC=C1C(N)C(=O)O BB56-0340 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BB56-0238 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F BB56-0262 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 BB31-4040 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 BB55-8643 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.225 O=C(O)C(O)C1=CC=CC(Br)=C1 BB31-7632 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.253 CC(=O)C(C)(O)C1=CN=CC=C1 BB54-1702 [0,1,0,0,1,0|1,0,0]=3 71 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 BB57-4798 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 BB57-6577 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 BB54-5649 [0,1,0,0,1,0|0,0,1]=3 74 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 BB31-4634 [0,1,0,0,1,0|1,0,0]=3 75 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 BB57-4610 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 BB32-0277 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.29 CC(NC(=O)CC#N)C1=CC=CC=C1 BB05-0483 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 BB12-2909 [0,2,0,0,0,0|2,0,0]=4 79 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [1,0,0,1,0,0|1,0,1]=4 80 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.18 CC1=NC2=CC=CC=C2N1C BB01-2782 [0,0,0,1,1,0|2,0,0]=4 82 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 BB55-4973 [0,0,0,1,0,1|1,0,1]=4 83 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 BB55-8895 [0,0,0,1,0,1|1,0,0]=3 84 B14R2.25733 CC(=O)C1=CN(C)C2=CC=CC=C12 BB53-1378 [0,0,0,1,0,1|2,0,0]=4 85 B14R2.642 CC(=O)C1=C(C)NC2=CC=CC=C21 BB17-2235 [0,0,0,1,0,1|1,0,1]=4 86 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O BB54-0108 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BB05-0290 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BB55-1915 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BB05-2373 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BB05-0982 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.4514 CC1C(=O)NCC1C2=CC=CC=C2 BB58-3083 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.2 CC(=O)\C=C1/OCC2=C1C=CC=C2 BB57-2463 [0,1,0,1,0,0|1,0,1]=4 93 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 BB31-5556 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [1,0,0,0,1,0|1,0,0]=3 95 B10R1.18 CC(=O)CC1=NC=CN=C1 BB57-2158 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [1,0,0,0,1,0|2,0,0]=4 97 B10R1.18 N=C(N)CC1=CC=CC=C1 BB31-4317 [1,0,0,0,1,0|2,0,0]=4 98 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [1,0,0,0,1,0|2,0,0]=4 99 B10R1.23 CC(C(=O)O)N1C=CC=C1 BB54-1231 [0,0,0,0,2,0|2,0,0]=4 100 B12R1.252 CC(=O)CCCC1=CC=CC=N1 BB54-3908 [1,0,0,0,0,1|2,0,0]=4 101 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB01-7779 [1,0,0,0,0,1|1,0,0]=3 102 B12R1.252 NC(=O)NCCC1=CC=CC=C1 BB01-7605 [1,0,0,0,0,1|2,0,0]=4 103 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [1,0,0,0,0,1|1,0,0]=3