0 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BB01-7426 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BB12-1495 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB55-0680 [1,0,0,0,0,0|0,0,2]=3 7 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB05-0492 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 BB57-7143 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 BB26-0866 [0,1,0,0,0,0|0,0,2]=3 12 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BB32-3697 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 BB54-2897 [0,1,0,0,0,0|0,0,2]=3 14 B13R1.15 COC(=O)CNC1=CC=CC(Br)=C1 BB53-4201 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BB53-1853 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BB01-7089 [0,1,0,0,0,0|0,0,2]=3 17 B13R2.10 CC1=CC(C2=CC=CC=C2)=NN1 BB20-3383 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 BB50-0257 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.10 ClC1=NC(C2=CC=CC=C2)=NO1 BB12-3531 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.10 NC1=CC(C2=CC=CC=C2)=NS1 BB58-3490 [0,0,0,1,0,0|2,1,0]=4 21 B13R2.10 NC1=CC(C2=CC=NC=C2)=NO1 BB50-0509 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.10 NC1=CC(C2=CN=CC=C2)=NO1 BB50-0510 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 BB56-0242 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 BB54-5037 [0,0,0,1,0,0|1,0,0]=2 25 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 BB31-5154 [0,0,0,1,0,0|1,0,2]=4 26 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB54-0220 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.10 O=C1NC(C2=CC=CC=C2)=NO1 BB54-4670 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 BB57-7086 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 BB12-3532 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.10 SC1=NC(C2=CC=CC=C2)=NO1 BB12-3670 [0,0,0,1,0,0|2,1,0]=4 31 B13R2.10 [O-]C1=C[N+](C2=CC=CC=C2)=NO1 BB58-3264 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.32 NC1=C2C=CC=CC2=CC=C1O BB54-1922 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.32 O=C1C=CC2=C(C=CC=C2)N1O BB58-1194 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BB12-5003 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.33 O=C1COC2=CC=CC=C2CN1 BB57-5539 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 BB54-1225 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 BB54-4524 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.40 NNC(=O)NC1=CC=CC=C1 BB55-2196 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB57-1136 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 BB01-7476 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [1,1,0,0,0,0|0,0,1]=3 54 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB54-0376 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.125 CC(=O)C#CC1=CC=CC=C1C BB58-2899 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 BB58-0801 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 BB01-7475 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 BB54-4987 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 BB55-3550 [1,1,0,0,0,0|0,0,0]=2 67 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BB54-1054 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.226 O=C(O)CNC1=CC(Cl)=CC=C1 BB58-0802 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [1,1,0,0,0,0|0,0,0]=2 71 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 BB57-3597 [0,1,0,0,1,0|1,0,1]=4 72 B12R1.15 COC(=O)CC(=O)C1=CSC=C1 BB57-3596 [0,1,0,0,1,0|1,0,1]=4 73 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 BB54-0050 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,1,0,0,1,0|0,0,1]=3 76 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 BB55-1696 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 BB58-5323 [0,1,0,0,1,0|1,0,1]=4 78 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 BB32-0277 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 BB01-4761 [0,2,0,0,0,0|1,0,1]=4 80 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 BB55-7499 [0,2,0,0,0,0|0,0,2]=4 81 B14R1.502 CCOC(=O)CNC1=CC=C(C)C=C1 BB12-2898 [0,2,0,0,0,0|1,0,1]=4 82 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 BB12-2773 [0,2,0,0,0,0|1,0,1]=4 83 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 BB58-0804 [0,2,0,0,0,0|1,0,1]=4 84 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 BB05-4908 [0,2,0,0,0,0|1,0,1]=4 85 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 BB12-2557 [0,2,0,0,0,0|1,0,1]=4 86 B14R1.135 COC(=O)[C@H](N)CC1=CC(C)=CC=C1 BB20-3427 [0,2,0,0,0,0|0,0,2]=4 87 B14R1.598 CCOC(=O)CNC1=C(C)C=CC=C1 BB12-2889 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.1031 COC(=O)\C(=C\C1=CC=CC=C1)CN BB58-4486 [0,2,0,0,0,0|0,0,0]=2 89 B12R1.77 COC(=O)C1=CC=CC=C1CBr BB57-2114 [0,0,1,1,0,0|1,0,1]=4 90 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl BB54-1163 [0,0,1,1,0,0|2,0,0]=4 91 B12R1.435 CNC(=O)C1=CC=CC(C=O)=C1 BB17-2997 [0,0,1,1,0,0|2,0,0]=4 92 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 BB20-4654 [0,0,1,1,0,0|1,0,1]=4 93 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 BB12-2172 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.24 O=C1C=CC2=C(C=NC=C2)N1 BB32-2378 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.24 O=C1C=CC2=CN=CC=C2N1 BB57-7205 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.24 O=C1C=NC2=CC=CC=C2N1 BB57-5371 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 BB57-3400 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 BB55-8618 [0,0,0,1,0,1|2,0,0]=4 100 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 BB55-4973 [0,0,0,1,0,1|2,0,0]=4 101 B14R2.95 COC(=N)C1=CNC2=CC=CC=C21 BB58-2028 [0,0,0,1,0,1|1,0,0]=3 102 B14R2.95 COC(=O)C1=C2N=CC=CN2N=C1 BB54-0684 [0,0,0,1,0,1|2,0,0]=4 103 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 BB01-7407 [0,0,0,1,0,1|0,0,0]=2 104 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 BB56-1907 [0,0,0,1,0,1|1,0,0]=3 105 B14R2.4514 CN1C(C2=CC=CC=C2)=CN=C1N BB01-6536 [0,0,0,1,0,1|2,0,0]=4 106 B14R2.21 O=C1C=C(C2=CC=CC=C2)N=CN1 BB11-0059 [0,1,0,1,0,0|1,0,1]=4 107 B14R2.1019 COC1=CC2=C(N=CC=C2)C(N)=C1 BB54-2920 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 BB56-2233 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 BB56-2234 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.20 O=C1C=C(C2=CC=C(F)C=C2)NN1 BB54-4486 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.134 COC1=CC2=C(C=C1)N=CC(N)=C2 BB54-4983 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 BB53-1773 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.29369 O=C1C=CC2=CC(Br)=CC=C2C1=O BB55-8075 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 BB11-0045 [0,1,0,1,0,0|1,0,0]=3 115 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 BB05-2057 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.972 COC(=O)C1CC2=CC=CC=C2C1 BB20-1341 [0,1,0,1,0,0|0,0,2]=4 117 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BB12-4600 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 BB57-6420 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.781 CC(N)C1=CC2=C(C=CC=C2)C=C1 BB55-1648 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.256 NC1=CC(C2=C(Cl)C=CC=C2)=NO1 BB01-5776 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [1,0,0,0,1,0|1,0,1]=4 122 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [1,0,0,0,1,0|2,0,0]=4 123 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [1,0,0,0,1,0|1,0,0]=3 125 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB54-0791 [0,0,0,0,2,0|1,0,1]=4 126 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,0,0,0,2,0|2,0,0]=4 127 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,0,0,0,2,0|1,0,0]=3 128 B10R1.15 COC(=O)C1=NC=CN=C1 BB01-2777 [0,0,0,0,2,0|2,0,0]=4 129 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,0,0,0,2,0|2,0,0]=4 131 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 BB55-8607 [0,0,0,0,0,2|0,0,2]=4