0 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 08-10095 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 BIO-580 [1,0,0,0,0,0|2,1,0]=4 2 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 BIO-617 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 19-2851 [1,0,0,0,0,0|1,1,1]=4 4 B12R2.606 FC1=CC2=C(C=C1)N=C(S)S2 09-3508 [1,0,0,0,0,0|1,1,1]=4 5 B12R2.606 FC1=CC2=C(C=C1)SC(S)=N2 26-3670 [1,0,0,0,0,0|1,1,1]=4 6 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 19-828 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 09-3019 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 08-4912 [1,0,0,0,0,0|1,1,0]=3 9 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 08-6707 [1,0,0,0,0,0|2,1,0]=4 10 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 08-4747 [1,0,0,0,0,0|2,1,0]=4 11 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 08-5031 [1,0,0,0,0,0|2,1,0]=4 12 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 08-5040 [1,0,0,0,0,0|2,1,0]=4 13 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 08-5248 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 08-4694 [1,0,0,0,0,0|2,1,0]=4 15 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 08-5057 [1,0,0,0,0,0|2,1,0]=4 16 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 08-4179 [1,0,0,0,0,0|0,1,0]=2 17 B12R2.606 O=C1NC2=C(N=C(Cl)C=C2)N1 08-3045 [1,0,0,0,0,0|1,1,0]=3 18 B12R2.606 O=C1NC2=CC(Br)=CN=C2N1 08-2936 [1,0,0,0,0,0|1,1,0]=3 19 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 08-5903 [1,0,0,0,0,0|2,1,0]=4 20 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 08-10473 [1,0,0,0,0,0|2,0,1]=4 21 B14R2.4217 CCN1C(C)=NC2=C1C=CC(F)=C2 09-3462 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 09-3541 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 09-1229 [0,0,1,0,0,0|2,0,0]=3 24 B12R1.50 NNC(=S)NC1=CC(F)=CC=C1 26-1045 [0,0,1,0,0,0|1,1,0]=3 25 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 09-186 [0,0,1,0,0,0|2,0,0]=3 26 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 27-116 [0,0,1,0,0,0|2,0,1]=4 27 B14R2.29365 CC1=CC2=C(C=C1)C(O)=CC(=O)O2 19-350 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 21-334 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 CS-114 [1,0,1,0,0,0|1,1,0]=4 30 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 21-097 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 09-002 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 26-1051 [1,0,1,0,0,0|0,0,0]=2 33 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 26-1048 [1,0,1,0,0,0|0,1,0]=3 34 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 21-335 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 21-140 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 26-1019 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 04-2313 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1815 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1816 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 09-582 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 09-1126 [1,0,1,0,0,0|1,0,0]=3 42 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 09-001 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 09-1014 [1,0,1,0,0,0|0,1,0]=3 44 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 08-7391 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 CS-220 [1,0,1,0,0,0|1,1,0]=4 46 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 21-520 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.37 COC1=C(C=O)C=C(F)C=C1 26-959 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 CS-047 [1,0,1,0,0,0|1,1,0]=4 49 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 09-059 [1,0,1,0,0,0|1,0,0]=3 50 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 21-033 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 09-508 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 03-033 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 26-3605 [1,0,1,0,0,0|2,0,0]=4 54 B11R2.1 CC1=CNC2=C1C=CC=C2 020653 [2,0,0,0,0,0|2,0,0]=4 55 B11R2.1 ON1N=NC2=C1C=CC=C2 04-1794W [2,0,0,0,0,0|1,0,1]=4 56 B11R2.10 O=C1CC2=C(C=CC=C2)N1 01-1256 [2,0,0,0,0,0|1,0,0]=3 57 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-3313 [2,0,0,0,0,0|2,0,0]=4 58 B11R2.10 O=C1CC2=C(C=CC=N2)N1 08-5099 [2,0,0,0,0,0|2,0,0]=4 59 B11R2.10 O=C1CC2=C(C=CN=C2)N1 08-5086 [2,0,0,0,0,0|2,0,0]=4 60 B11R2.10 O=C1CC2=C(C=NC=C2)N1 08-5100 [2,0,0,0,0,0|2,0,0]=4 61 B11R2.10 O=C1CC2=C(N=CC=C2)N1 08-5085 [2,0,0,0,0,0|2,0,0]=4 62 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 08-546 [2,0,0,0,0,0|1,1,0]=4 63 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 08-110 [2,0,0,0,0,0|1,1,0]=4 64 B11R2.36 CC1=CC2=C(C=CN2)C=C1 08-10259 [2,0,0,0,0,0|2,0,0]=4 65 B11R2.36 FC1=CC2=C(C=C1)NC=C2 09-1211 [2,0,0,0,0,0|1,0,0]=3 66 B11R2.36 FC1=CC2=C(C=CN2)C=C1 26-3636 [2,0,0,0,0,0|1,0,0]=3 67 B11R2.36 FC1=CN=C2NC=CC2=C1 08-5245 [2,0,0,0,0,0|2,0,0]=4 68 B11R2.36 OC1=CC2=C(C=C1)NC=C2 08-1151 [2,0,0,0,0,0|2,0,0]=4 69 B11R2.36 OC1=CC2=C(C=CN2)C=C1 08-1152 [2,0,0,0,0,0|2,0,0]=4 70 B13R1.163 O=C(O)[C@H](O)C1=C(F)C=C(F)C=C1 26-667 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.510 O=C(O)[C@H](O)C1=CC(F)=C(F)C=C1 26-3264 [0,1,1,0,0,0|2,0,0]=4 72 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 08-4556 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 08-10370 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O 09-3507 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 08-1734 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 21-503 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.43 O=CC1=CC2=C(C=C(Br)C=C2)N1 08-2940 [1,1,0,0,0,0|1,1,0]=4 78 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 06-1653 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.3050 CC1=NC2=C(C=CC(F)=C2F)N1 09-3401 [1,1,0,0,0,0|1,0,1]=4 80 B13R2.5397 NC1=CC(F)=C2OC(=O)NC2=C1 08-10409 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.5397 O=C1CC2=CC(F)=CC(F)=C2N1 26-3307 [1,1,0,0,0,0|1,0,0]=3 82 B13R2.13083 FC1=C(Cl)C=C2NC(S)=NC2=C1 09-218 [1,1,0,0,0,0|0,1,1]=4 83 B13R2.13083 O=C1CC2=CC(Cl)=C(Cl)C=C2N1 08-5110 [1,1,0,0,0,0|1,1,0]=4 84 B13R2.662 O=CC1=CNC2=C1C=CC(F)=C2 26-3642 [1,1,0,0,0,0|1,0,1]=4 85 B15R2.22335 COC1=CC2=C(C=C1)N(C)C(=O)N2C 08-10563 [0,2,0,0,0,0|2,0,0]=4 86 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 25-015 [0,0,1,1,0,0|1,1,0]=4 87 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 26-3641 [0,0,1,1,0,0|2,0,0]=4 88 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 09-1157 [0,0,1,0,1,0|2,0,0]=4 89 B11R1.23 COC(=O)C1=CC=CC(F)=C1 26-4161 [0,0,1,0,1,0|2,0,0]=4 90 B11R1.23 NNC(=O)C1=CC(N)=CC=C1 CS-034 [0,0,1,0,1,0|2,0,0]=4 91 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 CS-551 [0,0,1,0,1,0|2,0,0]=4 92 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 09-623 [0,0,1,0,1,0|1,0,0]=3 93 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 26-1006 [0,0,1,0,1,0|2,0,0]=4 94 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 H-105 [1,0,0,0,0,1|2,0,0]=4 95 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 08-5442 [1,0,0,0,0,1|2,0,0]=4 96 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O 020505 [1,0,0,0,0,1|2,0,0]=4 97 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O CS-353 [1,0,0,0,0,1|2,0,0]=4 98 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 25-025 [1,0,0,0,0,1|2,0,0]=4 99 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 08-1792 [1,0,0,0,0,1|1,1,0]=4 100 B13R2.3683 O=C1CSC2=C(C=CC(Br)=C2)N1 25-011 [1,0,0,0,0,1|1,1,0]=4 101 B13R2.3683 O=C1CSC2=C(C=CC(Cl)=C2)N1 25-014 [1,0,0,0,0,1|1,1,0]=4