0 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 O10579 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C D75896 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 D72038 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 D72037 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.196 BrC1=CC=CC2=C1NC=C2I F17983 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.196 CC1=C2NC=C(Br)C2=NC=C1 I10827 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.196 CC1=CC=CC2=C1NN=C2O F18597 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.196 CC1=CN=CC2=C1NC=C2Br I10828 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.196 CC1=CNC2=C(N)C=CC=C12 F50995 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.196 CC1=NC=CC2=C1NC=C2Br 75777 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.196 NC1=CC=CC2=C1NC=C2Cl AC8606 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.196 OC1=NNC2=C(F)C=CC=C12 F18746 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.202 CC1=CC2=C(C=CC=C2C)N1 C14038 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.202 CC1=CC2=C(Cl)C=CC=C2N1 24210 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.202 CC1=CC2=CC=CC(Br)=C2N1 AT16060 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.202 CC1=CC2=CC=CC(N)=C2N1 P20352 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.202 CC1=CC=CC2=C1N=C(C)S2 F15163 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.202 CC1=CC=CC2=C1N=C(Cl)O2 AC2652 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.202 CC1=CC=CC2=C1N=C(N)O2 AC7423 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 F13741 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.202 CC1=CC=CC2=C1N=C(S)O2 AC7364 [1,0,0,0,0,0|1,1,1]=4 27 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 AC6817 [1,0,0,0,0,0|1,0,0]=2 28 B12R2.202 CC1=CC=CC2=C1SC(Br)=N2 W10488 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.202 CC1=NC2=C(C)C=CN=C2N1 F18615 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.202 NC1=CC=CC2=C1CC(=O)C2 53595 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.202 NC1=CC=CC2=C1NC(=O)O2 C16414 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.202 NC1=NC=CC2=C1NC(=O)C2 F12565 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.202 O=C1CC2=CC=CC(I)=C2N1 D76870 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 C92124 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.202 O=C1NC2=C(N1)C(Cl)=NC=N2 C90467 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 AT12815 [1,0,0,0,0,0|1,0,0]=2 37 B12R2.202 O=C1NC2=CC=CC(Cl)=C2O1 AC6894 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.202 O=C1NC2=CN=CC(Br)=C2N1 C14994 [1,0,0,0,0,0|2,0,0]=3 39 B14R2.4220 O=C1NC2=C(Br)C=CC=C2\C1=N\O F12270 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.8620 CC1=C2C(=O)C(=O)NC2=C(F)C=C1 AT19797 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.8620 CC1=CC=C(C)C2=C1NC(=O)C2=O I10166 [0,1,0,0,0,0|1,0,1]=3 42 B14R2.8620 O=C1NC2=C(F)C=CC(Cl)=C2C1=O AC7446 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.8737 CC1=C(Br)C=CC2=C1NC(=O)C2=O AC8864 [0,1,0,0,0,0|1,0,1]=3 44 B14R2.8737 CC1=C(F)C=CC2=C1NC(=O)C2=O AT19799 [0,1,0,0,0,0|1,0,1]=3 45 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2Cl)C1=O 96225 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.8737 O=C1NC2=C(C=CC(F)=C2F)C1=O 95150 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 AT19798 [0,1,0,0,0,0|1,0,1]=3 48 B14R2.9184 CN1C(=O)OC2=C(F)C=C(Br)C=C21 53499 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 60164 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.9184 O=C1NC2=C(F)C=C(F)C=C2C1=O Y10958 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.11645 COC1=C2N=C(N)N(C)C2=CC=C1 AC5917 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.28485 CN1C(=O)C(=O)C2=CC=CC(Br)=C21 82391 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.225 CC1=CC=CC([C@@H](F)C(=O)O)=C1 98550 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N12267 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.225 O=C(O)[C@H](O)C1=CC(O)=CC=C1 A12143 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(I)=C1 C90764 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.371 C=CC(=O)NC1=C(Cl)C=CC=C1 N11716 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,0,1,0,0,0|3,0,0]=4 59 B14R2.8045 CC1=CC(=O)NC2=C(Br)C=CC=C12 D73568 [0,0,0,0,0,1|3,0,0]=4 60 B14R2.8045 CC1=CC(=O)NC2=C(F)C=CC=C12 A11557 [0,0,0,0,0,1|3,0,0]=4 61 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O F14754 [0,0,0,0,0,1|1,0,1]=3 62 B14R2.8045 O=C1C=C(O)C2=CC=CC(Br)=C2N1 D73420 [0,0,0,0,0,1|2,0,0]=3 63 B14R2.8045 O=C1CC(=O)C2=CC=CC(F)=C2N1 F15665 [0,0,0,0,0,1|2,0,1]=4 64 B14R2.8045 O=C1NC(=O)C2=CC=CC(Cl)=C2N1 P16564 [0,0,0,0,0,1|2,0,1]=4 65 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1O 87959 [0,0,0,0,0,1|2,0,0]=3 66 B11R1.23 CC1=CC=CC([C@@H](O)CN)=C1 C78286 [1,0,1,0,0,0|1,0,1]=4 67 B11R1.159 C=C(C)C1=C(N)C(C)=CC=C1 F18673 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C12447 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 C16183 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.157 N=C(N)NC1=CC=CC(O)=C1 S11159 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [1,0,1,0,0,0|1,0,0]=3 75 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [1,0,1,0,0,0|1,1,0]=4 76 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [1,0,1,0,0,0|2,0,0]=4 77 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [2,0,0,0,0,0|1,0,0]=3 78 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [2,0,0,0,0,0|2,0,0]=4 79 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [2,0,0,0,0,0|2,0,0]=4 80 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [2,0,0,0,0,0|2,0,0]=4 81 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [2,0,0,0,0,0|2,0,0]=4 82 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [2,0,0,0,0,0|2,0,0]=4 83 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [2,0,0,0,0,0|2,0,0]=4 85 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [2,0,0,0,0,0|2,0,0]=4 86 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [2,0,0,0,0,0|2,0,0]=4 87 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [2,0,0,0,0,0|2,0,0]=4 88 B11R2.106 CC1=C2C=CNC2=CN=C1 P11545 [2,0,0,0,0,0|2,0,0]=4 89 B11R2.106 CC1=C2N=CNC2=CC=C1 31265 [2,0,0,0,0,0|0,0,1]=3 90 B11R2.106 CC1=CC=CC2=C1N=CO2 F18678 [2,0,0,0,0,0|1,0,1]=4 91 B11R2.106 CC1=CC=CC2=C1N=NN2 C80091 [2,0,0,0,0,0|1,0,1]=4 92 B11R2.106 NC1=C2N=CNC2=CC=C1 P10197 [2,0,0,0,0,0|1,0,1]=4 93 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 F21120 [0,1,1,0,0,0|2,0,0]=4 94 B13R1.2679 CC1=C(NC(=O)CCl)C=CC(Br)=C1 N16796 [0,1,1,0,0,0|2,0,0]=4 95 B13R1.2679 CC1=C(NC(=O)CCl)C=CC(Cl)=C1 F50777 [0,1,1,0,0,0|2,0,0]=4 96 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CO F20956 [0,1,1,0,0,0|1,0,0]=3 97 B13R1.4928 CCC(=O)NC1=C(C)C=CC=C1C S10384 [0,1,1,0,0,0|2,0,0]=4 98 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.135 CC1=C(CO)C2=C(C=CC=C2)N1 71544 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.135 CC[C@@H]1C(=O)NC2=C1C=CC=C2 61576 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.135 CN[C@@H]1C(=O)NC2=C1C=CC=C2 71829 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)[C@H]2N W10170 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.3028 CN1C(=O)NC2=C1C=C(F)C=C2 96196 [1,1,0,0,0,0|1,0,0]=3 104 B13R2.3028 CN1C(=O)NC2=C1N=C(Cl)C=C2 91315 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(I)C=C2 F30779 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(O)C=C2 71575 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 W10171 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [1,1,0,0,0,0|1,0,1]=4 109 B13R2.5190 CN1C(=O)SC2=C1C=CC(N)=C2 W17105 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.5190 N[C@@H]1C(=O)NC2=C1C=CC(Cl)=C2 AT11006 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.573 COC1=C2C=CN(C)C2=CC=C1 S12063 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.54 CC1=CC=CC2=C1C=C(C=O)N2 D76690 [1,1,0,0,0,0|1,0,0]=3 113 B13R2.54 CC1=CC=CC2=C1NC(C=O)=C2 71616 [1,1,0,0,0,0|1,0,0]=3 114 B13R2.54 CCC1=CC2=CC=CC(C)=C2N1 S10153 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.54 O=CC1=CC2=CC=CC(F)=C2N1 O11653 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.581 C=CC1=CC=CC2=C1NC(=O)C2 98459 [1,1,0,0,0,0|1,0,1]=4 117 B13R2.581 COC1=C2N=C(N)NC2=CC=C1 AC7968 [1,1,0,0,0,0|1,0,1]=4 118 B13R2.581 COC1=CC=NC2=C1CC(=O)N2 D96676 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.581 N#CC1=CC=CC2=C1NC(=O)C2 95293 [1,1,0,0,0,0|1,0,1]=4 120 B13R2.581 O=C1CC2=C(N1)C(CO)=CC=C2 95296 [1,1,0,0,0,0|1,0,0]=3 121 B13R2.581 O=CC1=CC=CC2=C1NC(=O)C2 98460 [1,1,0,0,0,0|1,0,1]=4 122 B13R2.3050 CC1=C(Br)C=NC2=C1NC(=O)N2 AC3046 [1,1,0,0,0,0|1,0,0]=3 123 B13R2.5397 CC1=C2OC(=O)NC2=CC(Cl)=C1 53494 [1,1,0,0,0,0|1,0,0]=3 124 B15R2.61348 CC1=CC=CC2=C1NC(=O)C(C)(C)O2 AC4406 [0,1,0,0,0,1|2,0,0]=4 125 B15R2.15618 CC1=CC(F)=C(Br)C2=C1NC(=O)C2=O AC2882 [0,2,0,0,0,0|1,0,1]=4 126 B15R2.22624 CCC1=C2NC(=O)C(=O)C2=CC(Br)=C1 O11383 [0,2,0,0,0,0|1,0,1]=4 127 B13R2.163 O=C1CNCC2=C(C=CC=C2)N1 D73440 [0,0,1,1,0,0|2,0,0]=4 128 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [0,0,1,1,0,0|2,0,0]=4 129 B13R2.2091 CC1=C2C(=CC=C1)NN=C2C=O 76163 [0,0,1,1,0,0|2,0,0]=4 130 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [1,0,0,0,0,1|1,0,0]=3 131 B13R2.32 CN1C(=O)CNC2=C1C=CC=N2 97249 [1,0,0,0,0,1|2,0,0]=4 132 B13R2.32 N[C@@H]1C(=O)NCC2=C1C=CC=C2 C14948 [1,0,0,0,0,1|2,0,0]=4 133 B13R2.328 CN1CC(=O)NC2=C1N=CC=C2 97250 [1,0,0,0,0,1|2,0,0]=4 134 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [1,0,0,0,0,1|2,0,0]=4 135 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)N1 O11237 [1,0,0,0,0,1|2,0,0]=4