0 B11R2.1 BrC1=CNC2=C1C=CC=N2 08-1634 [1,0,0,0,0,0|3,0,0]=4 1 B11R2.1 BrC1=CNC2=C1C=CN=C2 08-1606 [1,0,0,0,0,0|3,0,0]=4 2 B11R2.1 BrC1=CNC2=C1C=NC=C2 08-1633 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.1 BrC1=CNC2=CC=CN=C12 08-1632 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 BrC1=NNC2=C1C=CC=C2 08-4202 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 CC1=CNC2=C1C=CC=C2 020653 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.1 CC1=CNC2=CC=CN=C12 08-9188 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 CC1=CNC2=NC=CC=C12 08-9191 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 ClC1=CNC2=C1C=CC=N2 08-6896 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 ClN1N=NC2=C1C=CC=C2 08-3027 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.1 IC1=CNC2=C1C=CN=C2 08-2269 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 NC1=CNC2=C1C=CN=C2 08-1511 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 NC1=CNC2=NC=CC=C12 08-1388 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 NN1N=NC2=C1C=CC=C2 BIO-455 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.1 OB1OCC2=C1C=CC=C2 08-2240 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 ON1N=NC2=C1C=CC=C2 04-1794W [1,0,0,0,0,0|1,0,1]=3 16 B11R2.10 CC1=CC2=CC=CN=C2N1 08-5436 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.10 CC1=NC2=C(C=CC=C2)O1 CS-733 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.10 FC1=NC2=C(C=CC=C2)S1 09-1147 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.10 IC1=CC2=C(N=CC=C2)N1 08-7512 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.10 O=C1CC2=C(C=CC=C2)N1 01-1256 [1,0,0,0,0,0|1,0,0]=2 21 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-3313 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-5099 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.10 O=C1CC2=C(C=CN=C2)N1 08-5086 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.10 O=C1CC2=C(C=NC=C2)N1 08-5100 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.10 O=C1CC2=C(N=CC=C2)N1 08-5085 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.45 CN1C2=C(C=CC=C2)S\C1=N\N 06-1367 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.45 CN1C2=C(C=CC=C2)S\C1=N\N 17-141 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 08-4556 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 08-10370 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O 09-3507 [0,1,0,0,0,0|1,0,1]=3 31 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 08-1734 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 21-503 [0,1,0,0,0,0|1,0,1]=3 33 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 08-10095 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 04-2313 [0,0,1,0,0,0|2,0,0]=3 35 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 04-2309 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 19-2867 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.36 O=C(O)[C@H](F)C1=CC=CC=C1 26-1014 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1815 [0,0,1,0,0,0|2,0,0]=3 39 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1816 [0,0,1,0,0,0|2,0,0]=3 40 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 08-7486 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 H-105 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 08-5442 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O A-104 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O 08-6375 [0,0,0,0,0,1|3,0,0]=4 45 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O 020505 [0,0,0,0,0,1|2,0,0]=3 46 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O CS-353 [0,0,0,0,0,1|2,0,0]=3 47 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 CS-894 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.17 OC\C=C\C1=CC=CC=C1 026025 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.20 COC1=C(C=O)C=CC=C1 026006 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.20 O=CC1=C(C=O)C=CC=C1 BIO-471 [1,0,1,0,0,0|1,0,1]=4 51 B10R1.61 NC(=O)C1=C(N)C=CC=C1 CS-027 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.61 NC1=C(B(O)O)C=CC=C1 08-8097 [1,0,1,0,0,0|1,0,1]=4 53 B10R1.61 NC1=CC=CN=C1C(=O)O 08-4603 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS-122 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 CS-171 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 CS-174 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.61 O=C(O)C1=C(F)C=CC=C1 21-110 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.61 O=C(O)C1=C(O)C=CC=C1 026097 [1,0,1,0,0,0|2,0,0]=4 59 B10R2.7 C1=CC2=C(C=C1)NC=C2 020650 [2,0,0,0,0,0|1,0,0]=3 60 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 26-100 [2,0,0,0,0,0|2,0,0]=4 61 B10R2.7 C1=CC2=C(C=CN2)C=N1 08-1536 [2,0,0,0,0,0|2,0,0]=4 62 B10R2.7 C1=CC2=C(C=N1)NC=C2 08-1537 [2,0,0,0,0,0|2,0,0]=4 63 B10R2.7 C1=CN=C2C=CNC2=C1 08-1535 [2,0,0,0,0,0|2,0,0]=4 64 B10R2.7 C1=CN=C2NC=CC2=C1 08-6221 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 09-1229 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.478 CC[C@@H](C(N)=O)C1=CC=CC=C1 24-002 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CS-688 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 BIO-683 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.49 COC(=O)NC1=CC=C(O)C=C1 19-1406 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.49 NC1=CC=C(OC(=O)CO)C=C1 19-944 [0,1,1,0,0,0|2,0,0]=4 71 B12R1.49 NNC(=S)NC1=CC=C(F)C=C1 26-1046 [0,1,1,0,0,0|1,1,0]=4 72 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 09-188 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.49 O=C(CO)NC1=CC=C(O)C=C1 19-2792 [0,1,1,0,0,0|1,0,0]=3 74 B12R1.50 NNC(=S)NC1=CC(F)=CC=C1 26-1045 [0,1,1,0,0,0|1,1,0]=4 75 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 09-186 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.371 NNC(=S)NC1=C(F)C=CC=C1 26-1044 [0,1,1,0,0,0|1,1,0]=4 77 B12R1.371 O=C(CCl)NC1=C(F)C=CC=C1 26-2717 [0,1,1,0,0,0|2,0,0]=4 78 B12R2.1 OCC1=CNC2=C1C=CC=C2 08-7485 [1,1,0,0,0,0|1,0,0]=3 79 B12R2.1 OCC1=NNC2=C1C=CC=C2 08-7447 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 08-123 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 08-2196 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 08-10092 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 08-10257 [1,1,0,0,0,0|1,0,1]=4 84 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 08-5902 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 08-5903 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 08-10473 [1,1,0,0,0,0|1,0,1]=4 87 B12R2.32 O=CC1=CC2=C(C=CC=N2)N1 08-4512 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 08-4513 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 08-4511 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 08-4510 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 08-5030 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 08-5247 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 BIO-580 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 BIO-617 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 19-2851 [1,1,0,0,0,0|1,0,1]=4 96 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 19-828 [1,1,0,0,0,0|1,0,0]=3 97 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 08-4912 [1,1,0,0,0,0|1,0,0]=3 98 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 08-6707 [1,1,0,0,0,0|2,0,0]=4 99 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 08-4747 [1,1,0,0,0,0|2,0,0]=4 100 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 08-5031 [1,1,0,0,0,0|2,0,0]=4 101 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 08-5040 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 08-5248 [1,1,0,0,0,0|2,0,0]=4 103 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 08-4694 [1,1,0,0,0,0|2,0,0]=4 104 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 08-5057 [1,1,0,0,0,0|2,0,0]=4 105 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 08-4179 [1,1,0,0,0,0|0,0,0]=2 106 B12R2.606 O=C1NC2=C(N=C(Cl)C=C2)N1 08-3045 [1,1,0,0,0,0|1,0,0]=3 107 B12R2.606 O=C1NC2=CC(Br)=CN=C2N1 08-2936 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 020578 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O 020566 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)O1 17-027 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Cl)=C2)O1 17-054 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.8235 O=C1C=C(O)C2=C(C=CC(F)=C2)O1 19-408 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.29365 CC1=CC2=C(C=C1)C(O)=CC(=O)O2 19-350 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.1128 O=C1NC2=C(C=CC=C2)N=C1CBr 25-032 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.642 CC(=O)N1C(=O)OC2=C1C=CC=C2 25-001 [0,2,0,0,0,0|1,0,1]=4 116 B14R2.642 CC(=O)N1C(=O)SC2=C1C=CC=C2 25-027 [0,2,0,0,0,0|1,0,1]=4 117 B12R2.24 O=C1COC2=C(C=CC=C2)N1 17-017 [0,0,1,1,0,0|1,0,0]=3 118 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 19-600 [0,0,1,1,0,0|1,1,0]=4 119 B12R1.27 COC(=O)CNC1=CC=CC=C1 04-2314 [0,0,1,0,0,1|2,0,0]=4