0 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB55-0680 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 BB57-7143 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)Cl BB55-5612 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)Cl BB55-5202 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O BB05-4897 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O BB12-1748 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.133 CC1=CC=C(OC(C)C(=O)Cl)C=C1 BB55-5608 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.133 C\C(=C\C1=CC=C(Br)C=C1)[N+](=O)[O-] BB20-3101 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BB01-7089 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(=O)Cl BB55-5720 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.148 CC1=CC(OC(C)C(=O)Cl)=CC=C1 BB55-5607 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.152 CC(C(=O)O)N(C)C1=CC=CC=C1 BB58-0841 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.202 CC(OC1=C(Cl)C=CC=C1)C(=O)Cl BB55-5614 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)Cl BB55-5719 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O BB12-3041 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O BB58-2555 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BB05-1228 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.369 CC1=NC2=CC=CC=C2N=C1C BB01-7443 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.369 CC1OC2=CC=CC=C2NC1=O BB57-5543 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.369 N=C1NC2=C(C=CC=C2)NC1=O BB54-3988 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.369 NC1=CC2=CC=CC=C2C=C1O BB55-7577 [0,0,0,1,0,0|1,0,2]=4 28 B13R2.369 O=C1NC2=CC=CC=C2OC1=O BB12-1662 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 BB05-2321 [0,0,0,1,0,0|1,0,2]=4 30 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB12-3811 [0,0,0,1,0,0|1,0,0]=2 31 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 BB01-7402 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 BB12-3461 [0,0,0,1,0,0|1,0,1]=3 33 B13R2.435 CC(N)C1=CC2=CC=CC=C2O1 BB54-3023 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 BB50-0386 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 BB31-7905 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB05-1015 [0,0,0,1,0,0|3,0,0]=4 37 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB12-2951 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 BB54-4264 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 BB54-1488 [0,0,0,1,0,0|1,0,2]=4 40 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 BB12-1678 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2O1 BB57-2002 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2S1 BB55-8346 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.35 C\C(=C\C1=CC=CO1)[N+](=O)[O-] BB57-4623 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 BB01-2614 [0,0,0,0,1,0|2,0,1]=4 45 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,0,0,0,1,0|2,0,1]=4 46 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,0,0,0,0,1|2,0,0]=3 47 B13R1.351 CC(=O)\C(C)=N\NC1=CC=CC=C1 BB20-0219 [0,0,0,0,0,1|1,0,0]=2 48 B13R1.351 CC(=O)\C(Cl)=N/NC1=CC=CC=C1 BB58-5107 [0,0,0,0,0,1|2,0,0]=3 49 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,0,0,0,0,1|2,0,1]=4 50 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.18 CC(=O)CC1=NC=CC=C1 BB55-8084 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.18 NC(=O)NC1=CC=CC=C1 BB01-6936 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 BB01-7476 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BB01-7426 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [1,1,0,0,0,0|0,0,1]=3 58 B12R1.125 CC(=O)C#CC1=CC=CC=C1C BB58-2899 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 BB01-7475 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 BB54-4987 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 BB55-3550 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 BB12-4088 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.253 CC(=O)C(C)(O)C1=CN=CC=C1 BB54-1702 [0,1,0,0,1,0|1,0,1]=4 67 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 BB57-4798 [0,1,0,0,1,0|1,0,1]=4 68 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 BB57-6577 [0,1,0,0,1,0|1,0,1]=4 69 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 BB54-5649 [0,1,0,0,1,0|0,0,2]=4 70 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 BB31-4634 [0,1,0,0,1,0|1,0,1]=4 71 B14R1.337 CC(=O)CC(=O)NC1=C(F)C=CC=C1 BB10-1201 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.337 CC(=O)\C=C(/C)NC1=C(N)C=CC=N1 BB54-1203 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.417 CC(=O)CC(=O)N(C)C1=CC=CC=C1 BB57-4610 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 BB54-3566 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.1031 COC(=O)\C(=C\C1=CC=CC=C1)CN BB58-4486 [0,2,0,0,0,0|0,0,0]=2 76 B12R2.18 CC1=NC2=CC=CC=C2N1C BB01-2782 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [1,0,0,1,0,0|0,0,2]=4 78 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,1,0,0|1,0,1]=4 79 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 BB57-3400 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB55-6325 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.598 CC1=C(C2=CC=CC=C2)N=C(N)S1 BB55-1103 [0,0,0,1,0,1|2,0,0]=4 82 B14R2.598 CC1=C(C2=CC=CC=C2)SC(N)=N1 BB57-5963 [0,0,0,1,0,1|1,1,0]=4 83 B14R2.642 CC(=O)C1=C(C)N=C2C=CC=CN21 BB57-5836 [0,0,0,1,0,1|2,0,0]=4 84 B14R2.642 CC(=O)C1=C(C)NC2=CC=CC=C21 BB17-2235 [0,0,0,1,0,1|1,0,0]=3 85 B14R2.642 CC(=O)N1C2=CC=CC=C2N=C1O BB12-1665 [0,0,0,1,0,1|2,0,0]=4 86 B14R2.642 CC1=C(C(=O)O)C2=C(C=CC=C2)N1 BB55-4547 [0,0,0,1,0,1|2,0,0]=4 87 B14R2.768 CC(=O)NC1=NC2=CC=CC=C2N1 BB01-8050 [0,0,0,1,0,1|2,0,0]=4 88 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 BB57-5391 [0,0,0,1,0,1|2,0,0]=4 89 B14R2.4529 CC(=O)C1=CC2=CC(Cl)=CC=C2O1 BB01-3449 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.4529 CC(=O)C1=NC2=C(C=CC(Cl)=C2)N1 BB54-3765 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.4529 CC(=O)C1=NC2=C(C=CC(F)=C2)N1 BB54-4216 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.4529 CC(=O)C1=NC2=CC=C(F)C=C2N1 BB12-1544 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1149 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-5002 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.4529 NC1=CC=C2SC(C(=O)O)=CC2=C1 BB57-7042 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.4529 NC1=CC=C2SC(C(=O)[O-])=CC2=C1 BB56-1828 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 BB54-2925 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 BB58-1551 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 BB58-1540 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 BB58-1539 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BB54-1066 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 BB20-4570 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 BB56-0738 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 BB56-0739 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2S1 BB56-1661 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.4529 O=C(O)C1=CC2=CC=C(I)C=C2N1 BB56-1734 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.4529 O=C([O-])C1=CC2=CC=C(Cl)C=C2S1 BB56-1728 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 BB11-0045 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.972 COC(=O)C1CC2=CC=CC=C2C1 BB20-1341 [0,1,0,1,0,0|0,0,2]=4 110 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BB12-4600 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.1128 CC1=NC2=CC=CC=C2N=C1C=O BB57-1068 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.4514 CC1=C(N)NN=C1C2=CC=CC=C2 BB55-8446 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.4514 CC1C(=O)NCC1C2=CC=CC=C2 BB58-3083 [0,1,0,1,0,0|0,0,2]=4 114 B14R2.8188 CC1=C(Br)C(=O)NC2=CC=CC=C21 BB12-1910 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.8188 CC1=CC2=CC=CC=C2C(N)=C1C BB58-4732 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 BB57-6420 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 BB56-0399 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.7969 N1C(C(=O)O)=CC2=CC=CC(C)=C21 BB54-4230 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 BB56-0695 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 BB26-0840 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 BB56-1354 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.450 CC(=O)C1=C(N)C2=CC=CN=C2O1 BB20-3090 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.450 CC1=C(C(=O)Cl)OC2=C1C=CC=C2 BB55-5189 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 BB57-0315 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.450 CC1=C(C(N)=O)NC2=CC=CC=C21 BB55-7786 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.450 NC(=O)C1=C(N)C2=CC=CC=C2O1 BB01-2521 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 BB12-2295 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,0,0,0,1,0|0,0,1]=3 129 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,0,0,0,1,0|1,0,1]=4 130 B10R1.27 C\C(C=O)=C/C1=CC=CO1 BB17-1881 [1,0,0,0,1,0|1,0,0]=3 131 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [1,0,0,0,1,0|1,0,0]=3 132 B12R1.252 CC(=O)NCCC1=CC=CC=C1 BB01-7779 [1,0,0,0,0,1|0,0,2]=4 133 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 BB01-7412 [1,0,0,0,0,1|2,0,0]=4 134 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BB54-0159 [0,0,0,0,0,2|1,0,1]=4