0 B13R2.5190 CC1=CC2=C(C=CC(N)=C2)N1C 96065 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.5190 CN1C(=O)NC2=C1C=NC(Cl)=N2 AC1580 [0,0,0,0,0,0|3,1,0]=4 2 B13R2.5190 CN1C(=O)SC2=C1C=CC(N)=C2 W17105 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.5190 CN1C(N)=NC2=C1C=CC(F)=C2 AC3040 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.5190 N[C@@H]1C(=O)NC2=C1C=CC(Cl)=C2 AT11006 [0,0,0,0,0,0|2,1,0]=3 5 B13R2.5190 O=C1NC2=C(C=CC(Cl)=N2)C1=O C92860 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 D72038 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 D72037 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 AC7141 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 Y10946 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.18 O=C1NC2=C(C=CN=C2)C1=O W17877 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.18 O=C1NC2=C(C=NC=C2)C1=O C15054 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.606 CC1=CC2=C(C=C1)NC(=O)O2 AC5672 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.606 CC1=NC2=C(C=C(F)C=C2)O1 AC5868 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.606 ClC1=CC2=C(C=C1)C=C(Cl)N2 F52575 [1,0,0,0,0,0|2,1,0]=4 18 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 26691 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)N1 W14684 [1,0,0,0,0,0|1,1,1]=4 20 B12R2.606 O=C1CC2=C(N=CC(O)=C2)N1 P18372 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.606 O=C1CC2=CN=C(Br)C=C2N1 F53787 [1,0,0,0,0,0|2,1,0]=4 22 B12R2.606 O=C1CC2=NC=C(I)C=C2N1 F18536 [1,0,0,0,0,0|2,1,0]=4 23 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [1,0,0,0,0,0|1,0,0]=2 24 B12R2.606 O=C1NC2=C(N=C(Br)C=N2)N1 27425 [1,0,0,0,0,0|2,1,0]=4 25 B12R2.606 O=C1NC2=CC(Br)=CN=C2O1 AC2140 [1,0,0,0,0,0|2,1,0]=4 26 B12R2.606 O=C1NC2=CC(Cl)=CN=C2O1 AC3978 [1,0,0,0,0,0|2,1,0]=4 27 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.606 S=C1NC2=C(C=C(I)C=C2)N1 D78584 [1,0,0,0,0,0|0,2,0]=3 29 B12R2.606 S=C1NC2=CC(Br)=CN=C2N1 D74585 [1,0,0,0,0,0|1,2,0]=4 30 B12R2.612 CN1C=CC2=C1C=CC(F)=C2 98405 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 W17736 [1,0,0,0,0,0|2,1,0]=4 32 B12R2.612 OC1=NNC2=C1C=CC(Cl)=C2 S10302 [1,0,0,0,0,0|2,1,0]=4 33 B14R2.645 CC1=CC2=C(C=C1C)C(=O)C(=O)N2 W17738 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.4217 CC1=C(C=O)C2=C(C=C(F)C=C2)N1 F30475 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.4646 CC1(C)C(=O)NC2=C1C=CC(F)=C2 85438 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.8716 CN1C(=O)N(C)C2=NC=C(Br)C=C21 S10291 [0,1,0,0,0,0|2,1,0]=4 37 B14R2.8737 CC1=C(Br)C=CC2=C1NC(=O)C2=O AC8864 [0,1,0,0,0,0|1,1,1]=4 38 B14R2.8737 CC1=C(F)C=CC2=C1NC(=O)C2=O AT19799 [0,1,0,0,0,0|1,0,1]=3 39 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2Cl)C1=O 96225 [0,1,0,0,0,0|1,1,1]=4 40 B14R2.8737 O=C1NC2=C(C=CC(F)=C2F)C1=O 95150 [0,1,0,0,0,0|1,0,1]=3 41 B14R2.27750 CN1C(=O)OC2=C1C(N)=CC(N)=C2 D86716 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,0,1,0,0,0|2,1,0]=4 44 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,0,1,0,0,0|2,0,0]=3 45 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.50 C=CC(=O)NC1=CC=CC(Cl)=C1 N11715 [0,0,1,0,0,0|2,1,0]=4 48 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 N14137 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.50 CNC(=O)CC1=CC(N)=CC=C1 N10567 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.50 CNC(=O)NC1=NC=CC(F)=C1 96549 [0,0,1,0,0,0|2,0,0]=3 51 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 75347 [0,0,1,0,0,0|2,0,1]=4 52 B14R2.8239 CC1=C(O)C=C2C=CC(F)=CC2=N1 95154 [0,0,0,0,0,1|2,0,1]=4 53 B14R2.8239 C[C@H]1CC2=C(C=C(O)C=C2)NC1=O 92261 [0,0,0,0,0,1|3,0,0]=4 54 B14R2.8239 O=C1NC2=C(C=CC(Br)=C2)C=C1O 67965 [0,0,0,0,0,1|1,1,0]=3 55 B14R2.29365 CC1=CC2=C(C=C1)C(=O)NC(=O)N2 F14751 [0,0,0,0,0,1|2,0,1]=4 56 B14R2.29365 O=C1C=C(O)C2=C(C=C(Cl)C=C2)O1 AC4988 [0,0,0,0,0,1|2,1,0]=4 57 B14R2.29365 O=C1NC2=C(C=CC(O)=C2)C(=O)O1 69869 [0,0,0,0,0,1|2,0,1]=4 58 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(Br)=C2 88454 [0,0,0,0,0,1|2,1,0]=4 59 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(N)=C2 58051 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [1,0,1,0,0,0|1,1,0]=4 62 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [1,0,1,0,0,0|1,0,0]=3 63 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [1,0,1,0,0,0|1,0,0]=3 64 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [1,0,1,0,0,0|1,1,0]=4 67 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C12447 [1,0,1,0,0,0|1,1,0]=4 68 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 C16183 [1,0,1,0,0,0|1,0,0]=3 69 B11R1.157 N=C(N)NC1=CC=CC(O)=C1 S11159 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [1,0,1,0,0,0|1,0,0]=3 71 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [1,0,1,0,0,0|2,0,0]=4 72 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [2,0,0,0,0,0|1,0,0]=3 73 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [2,0,0,0,0,0|2,0,0]=4 74 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [2,0,0,0,0,0|2,0,0]=4 75 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [2,0,0,0,0,0|2,0,0]=4 76 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [2,0,0,0,0,0|2,0,0]=4 77 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [2,0,0,0,0,0|2,0,0]=4 78 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [2,0,0,0,0,0|2,0,0]=4 79 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [2,0,0,0,0,0|2,0,0]=4 80 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [2,0,0,0,0,0|2,0,0]=4 81 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [2,0,0,0,0,0|2,0,0]=4 82 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [2,0,0,0,0,0|2,0,0]=4 83 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.36 FC1=CC2=C(C=C1)N=CO2 AC5634 [2,0,0,0,0,0|1,0,1]=4 85 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [2,0,0,0,0,0|2,0,0]=4 86 B13R1.522 C[C@](O)(C(=O)O)C1=CC=C(F)C=C1 D78563 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.148 O=C(O)C(=O)CC1=CC=CC(F)=C1 C91152 [0,1,1,0,0,0|2,0,0]=4 88 B13R1.2879 CNC(=O)NC1=CC(F)=C(Br)C=N1 96550 [0,1,1,0,0,0|2,0,0]=4 89 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.135 CC1=C(CO)C2=C(C=CC=C2)N1 71544 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.135 CC[C@@H]1C(=O)NC2=C1C=CC=C2 61576 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.135 CN[C@@H]1C(=O)NC2=C1C=CC=C2 71829 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)[C@H]2N W10170 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.3028 CN1C(=O)NC2=C1C=C(F)C=C2 96196 [1,1,0,0,0,0|1,0,0]=3 95 B13R2.3028 CN1C(=O)NC2=C1N=C(Cl)C=C2 91315 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(I)C=C2 F30779 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.3028 C[C@@H]1C(=O)NC2=C1C=C(O)C=C2 71575 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 W10171 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 30938 [1,1,0,0,0,0|1,0,1]=4 100 B13R2.43 CC1=CC2=C(C=C1)NC(C=O)=C2 D75515 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.43 NCC1=CC2=C(C=CC(F)=C2)N1 D73721 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.43 NCC1=NC2=C(C=CC(F)=C2)N1 F53383 [1,1,0,0,0,0|1,0,1]=4 103 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)O1 98428 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.43 O=CC1=CC2=C(C=C(F)C=C2)S1 98425 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)N1 28115 [1,1,0,0,0,0|1,0,0]=3 106 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)O1 98431 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.43 O=CC1=CC2=C(C=CC(F)=C2)S1 98413 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.2121 N#CC1=CC2=C(C=C1)OC(=O)N2 C15253 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.2121 NCC1=CC2=C(C=C1)NC(=O)C2 95292 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.2121 NNC1=CC2=C(C=C1)NC(=O)N2 F30549 [1,1,0,0,0,0|1,0,0]=3 111 B13R2.3050 CC1=C(Br)C=NC2=C1NC(=O)N2 AC3046 [1,1,0,0,0,0|1,1,0]=4 112 B13R2.3050 FC1=C(Cl)C2=C(C=C1)NC(Br)=N2 D80103 [1,1,0,0,0,0|1,0,1]=4 113 B13R2.3050 FC1=C(F)C2=C(C=C1)NC(=S)O2 AC5140 [1,1,0,0,0,0|1,1,0]=4 114 B13R2.5397 CC1=C2OC(=O)NC2=CC(Cl)=C1 53494 [1,1,0,0,0,0|1,1,0]=4 115 B13R2.13083 CC1=C(Br)C=C2NC(=O)NC2=C1 C16130 [1,1,0,0,0,0|0,1,0]=3 116 B13R2.13083 CC1=C(Cl)C=C2CC(=O)NC2=C1 D86635 [1,1,0,0,0,0|1,1,0]=4 117 B13R2.13083 CC1=C(Cl)C=C2NC(=O)OC2=C1 58462 [1,1,0,0,0,0|1,1,0]=4 118 B13R2.13083 FC1=C(Br)C=C2NC(=S)NC2=C1 F51208 [1,1,0,0,0,0|0,1,0]=3 119 B13R2.13083 NC1=C(Br)C=C2NC(=O)NC2=C1 D73527 [1,1,0,0,0,0|0,1,0]=3 120 B13R2.13083 O=C1CC2=CC(Cl)=C(Br)C=C2N1 P13430 [1,1,0,0,0,0|1,1,0]=4 121 B13R2.13083 O=C1NC2=CC(Cl)=C(Cl)C=C2O1 D73331 [1,1,0,0,0,0|1,1,0]=4 122 B13R2.13083 O=C1NC2=CC(Cl)=C(O)C=C2O1 C73343 [1,1,0,0,0,0|1,1,0]=4 123 B13R2.662 CC1=CC2=C(C=C1)C(CO)=CN2 71545 [1,1,0,0,0,0|2,0,0]=4 124 B15R2.1754 COC1=CC2=C(C=C(Br)C=C2)NC1=O 87957 [0,1,0,0,0,1|1,1,0]=4 125 B15R2.1754 O=CC1=CC2=C(C=C(F)C=C2)NC1=O AT24322 [0,1,0,0,0,1|1,0,1]=4 126 B15R2.13981 C[C@@H]1NC2=CC=C(F)C(Br)=C2NC1=O AT13744 [0,1,0,0,0,1|2,0,0]=4 127 B15R2.61998 CC1(C)OC2=C(C=C(F)C=C2)NC1=O AC3329 [0,1,0,0,0,1|2,0,0]=4 128 B15R2.7491 CC1(C)CC(=O)NC2=C1C=CC(F)=C2 F17619 [0,1,0,0,0,1|2,0,0]=4 129 B15R2.63814 CN1C(=O)OC(=O)C2=C1C=CC(F)=C2 AC8441 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.54 OCC1=NC2=C(F)C=CC=C2N1 AC6688 [0,0,1,1,0,0|2,0,0]=4 131 B13R2.155 O=C1N=CC2=C(C=C(F)C=C2)N1 F15808 [0,0,1,1,0,0|1,0,1]=4 132 B13R2.155 O=C1NC2=C(C=CC(F)=C2)CO1 AC4752 [0,0,1,1,0,0|2,0,0]=4 133 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 I10948 [0,0,1,1,0,0|1,1,0]=4 134 B13R2.5179 O=C1CCC2=C(F)C=CC=C2N1 69694 [0,0,1,1,0,0|2,0,0]=4 135 B13R2.5179 O=C1COC2=C(Br)C=CC=C2N1 69214 [0,0,1,1,0,0|1,1,0]=4 136 B13R2.5179 O=C1COC2=C(Cl)C=CC=C2N1 AC6385 [0,0,1,1,0,0|1,1,0]=4 137 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,0,1,0,1,0|2,0,0]=4 138 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,0,1,0,1,0|1,1,0]=4 139 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,0,1,0,1,0|1,0,0]=3 140 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 AC3378 [0,0,1,0,0,1|2,0,0]=4 141 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 D76287 [1,0,0,0,0,1|1,0,0]=3 142 B13R2.32 CN1C(=O)CNC2=C1C=CC=N2 97249 [1,0,0,0,0,1|2,0,0]=4 143 B13R2.32 N[C@@H]1C(=O)NCC2=C1C=CC=C2 C14948 [1,0,0,0,0,1|2,0,0]=4 144 B13R2.328 CN1CC(=O)NC2=C1N=CC=C2 97250 [1,0,0,0,0,1|2,0,0]=4 145 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [1,0,0,0,0,1|2,0,0]=4 146 B13R2.328 O=C1C=C(O)C2=C(C=CC=N2)N1 O11237 [1,0,0,0,0,1|2,0,0]=4 147 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [1,0,0,0,0,1|2,0,0]=4 148 B13R2.369 C[C@@H]1SC2=C(C=CC=C2)NC1=O 77381 [1,0,0,0,0,1|2,0,0]=4 149 B13R2.369 NC1=NC2=C(C=CC=C2)NC1=O 38523 [1,0,0,0,0,1|2,0,0]=4 150 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [1,0,0,0,0,1|2,0,0]=4 151 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CO2 AC6060 [1,0,0,0,0,1|2,0,0]=4 152 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [1,0,0,0,0,1|1,0,1]=4 153 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 P10166 [1,0,0,0,0,1|2,0,0]=4 154 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)OC2 AC7323 [1,0,0,0,0,1|2,0,0]=4 155 B13R2.3683 O=C1CNC2=C(C=CC(Cl)=N2)N1 97254 [1,0,0,0,0,1|1,1,0]=4 156 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 25433 [1,0,0,0,0,1|1,0,0]=3 157 B13R2.3683 O=C1N=CC2=C(C=CC(Cl)=C2)N1 F15803 [1,0,0,0,0,1|0,1,1]=4 158 B13R2.3683 O=C1N=CC2=C(C=CC(F)=C2)N1 F15804 [1,0,0,0,0,1|0,0,1]=3 159 B13R2.3683 O=C1NC2=C(C=C(F)C=C2)CO1 AC4756 [1,0,0,0,0,1|1,0,0]=3 160 B13R2.3683 O=C1NC2=C(C=C(I)C=C2)CO1 AC5099 [1,0,0,0,0,1|1,1,0]=4 161 B13R2.3683 O=C1NCC2=CC(Br)=CN=C2N1 S10295 [1,0,0,0,0,1|1,1,0]=4 162 B15R2.7328 O=C1CCC(=O)C2=C(C=C(F)C=C2)N1 P13981 [0,0,0,0,0,2|1,0,1]=4