0 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 08-5442 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 08-4175 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 FC1=CC2=CC=NC=C2C=C1F 08-10539 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O A-104 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O 08-6375 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O 020505 [0,0,0,0,0,0|0,0,0]=0 6 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O CS-353 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 08-1716 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 08-1707 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 08-1708 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 08-4252 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 19-2849 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 08-1791 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.24 CC1=NC2=CC=CN=C2C=C1 08-7674 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 08-10048 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 08-10000 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 FC1=CC2=CC=CC=C2C=C1 26-1742 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 FC1=CC2=CC=NC=C2C=C1 08-10482 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 IC1=CC2=CC=NC=C2C=C1 08-10002 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 NC1=CC=C2C=CN=CC2=C1 08-1449 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 NC1=CC=C2C=NC=CC2=C1 08-1448 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 020507S [1,0,0,0,0,0|0,0,0]=1 22 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C-106 [1,0,0,0,0,0|0,0,0]=1 23 B12R2.24 O=C1C=CC2=CC=CNC2=N1 08-5526 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D-107 [1,0,0,0,0,0|0,0,2]=3 25 B12R2.24 O=C1COC2=C(C=CC=C2)N1 17-017 [1,0,0,0,0,0|1,0,2]=4 26 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 19-600 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.24 OC1=CC2=CC=CC=C2C=C1 025445S [1,0,0,0,0,0|1,0,0]=2 28 B12R2.24 OC1=CC2=CC=CC=C2C=N1 08-7461 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 OC1=CC2=CC=CN=C2C=C1 08-10150 [1,0,0,0,0,0|2,0,0]=3 30 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O 17-080 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.1128 O=C1NC2=C(C=CC=C2)N=C1CBr 25-032 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 D-108 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.8239 O=C1C=CC2=CC(Cl)=C(O)C=C2O1 19-415 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 19-825 [0,0,1,0,0,0|1,0,0]=2 35 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 025872 [0,0,1,0,0,0|1,0,2]=4 36 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2812 [0,0,1,0,0,0|1,0,2]=4 37 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2813 [0,0,1,0,0,0|1,0,2]=4 38 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 BIO-683 [0,0,1,0,0,0|0,0,2]=3 39 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 08-9506 [0,0,1,0,0,0|1,0,2]=4 40 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-893 [1,0,1,0,0,0|0,0,2]=4 41 B11R1.91 O=C(O)CCC1=CC=CC=C1 026474 [1,0,1,0,0,0|0,0,2]=4 42 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-855 [1,0,1,0,0,0|1,0,1]=4 43 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 026024 [1,0,1,0,0,0|0,0,0]=2 44 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 08-2486 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 26-2155 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS-219 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 21-139 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS-592 [1,0,1,0,0,0|0,0,1]=3 49 B13R1.418 NO[C@@H](CC1=CC=CC=C1)C(=O)O BIO-482 [0,1,1,0,0,0|0,0,2]=4 50 B13R1.91 CCC(=O)OC1=C(C=O)C=CC=C1 19-2212 [0,1,1,0,0,0|1,0,1]=4 51 B13R1.91 O=CC1=C(OC(=O)CBr)C=CC=C1 19-1130 [0,1,1,0,0,0|1,0,1]=4 52 B13R2.32 ClC1=C(I)C=NC2=CC=CC=C21 08-6932 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 17-212 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.32 OC1=C(Br)C2=CC=CC=C2N=C1 08-10381 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 08-7486 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 CS-970 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.57 COC1=CC2=CC=CC=C2C=C1 CS-674 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.57 COC1=CC2=CC=CN=C2C=C1 CS-709 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 08-10141 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 08-3644 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 08-2514 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.57 O=CC1=CC2=CC=NC=C2C=C1 08-3646 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 08-3647 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.57 O=CC1=CC2=NC=CC=C2C=C1 08-3314 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.57 OCC1=CC2=CC=NC=C2C=C1 08-9988 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.57 OCC1=CC2=CN=CC=C2C=C1 08-4372 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.155 CC1=CC2=C(C=CC(=O)O2)C=C1 020521 [1,1,0,0,0,0|0,0,0]=2 68 B13R2.155 CC1=CC=C2C=CC(F)=CC2=N1 26-3774 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 08-5923 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 H-017 [1,1,0,0,0,0|0,0,0]=2 71 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)O1 19-867 [1,1,0,0,0,0|0,0,2]=4 72 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)O1 19-869 [1,1,0,0,0,0|0,0,2]=4 73 B13R2.155 OC1=CC=C2C=NC(Cl)=CC2=C1 08-10309 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 08-5922 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.162 OC1=NC=C2C=CC=C(Br)C2=C1 08-10038 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 19-2798 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 22-414 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 H-105 [1,1,0,0,0,0|0,0,0]=2 79 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 020531 [1,1,0,0,0,0|0,0,0]=2 80 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 09-1256 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 08-1620 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 08-4809 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 08-5924 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)N1 08-1792 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 020526 [1,1,0,0,0,0|0,0,0]=2 86 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 B-004 [1,1,0,0,0,0|1,0,0]=3 87 B13R2.3683 OC1=NC=C2C=C(Br)C=CC2=C1 08-5882 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 08-5925 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O 09-3507 [0,1,0,0,1,0|1,0,1]=4 90 B13R2.3085 O=C1C2=C(C=CC=C2)C(=O)N1O 04-1818 [0,1,0,0,1,0|1,0,0]=3 91 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 21-503 [0,1,0,0,1,0|1,0,1]=4 92 B15R2.274 CC1=C(C#N)C(=O)OC2=C1C=CC=C2 17-090 [0,2,0,0,0,0|1,0,0]=3 93 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O A-103 [0,2,0,0,0,0|0,0,1]=3 94 B15R2.1754 N#CC1=CC2=C(C=C(O)C=C2)OC1=O 19-053 [0,2,0,0,0,0|1,0,0]=3 95 B15R2.1007 CC1=CC2=C(C=C1)OC(=O)C(C)=C2O 19-543 [0,2,0,0,0,0|1,0,0]=3 96 B15R2.63893 CC1=C(Cl)C(=O)OC2=C1C=CC(O)=C2 23-004 [0,2,0,0,0,0|1,0,0]=3 97 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 08-4516 [0,0,1,1,0,0|2,0,0]=4 98 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 08-9710 [0,0,1,1,0,0|1,0,0]=3 99 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 08-5656 [0,0,1,1,0,0|1,1,0]=4 100 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 08-9834 [0,0,1,1,0,0|1,1,0]=4 101 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 08-9833 [0,0,1,1,0,0|1,1,0]=4 102 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 08-4514 [0,0,1,1,0,0|2,0,0]=4 103 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 08-4383 [0,0,1,1,0,0|2,0,0]=4 104 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 08-019 [0,0,1,1,0,0|1,0,1]=4 105 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 04-2309 [0,0,1,0,1,0|1,0,1]=4 106 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 19-2867 [0,0,1,0,1,0|1,0,1]=4 107 B11R1.36 O=C(O)[C@H](F)C1=CC=CC=C1 26-1014 [0,0,1,0,1,0|1,0,1]=4 108 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1815 [0,0,1,0,1,0|0,0,1]=3 109 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 04-1816 [0,0,1,0,1,0|0,0,1]=3 110 B11R2.1 CC1=CNC2=C1C=CC=C2 020653 [1,0,0,0,1,0|2,0,0]=4 111 B11R2.1 O=C1N=NC2=C1C=CC=C2 CS-618 [1,0,0,0,1,0|2,0,0]=4 112 B11R2.10 CC1=NC2=C(C=CC=C2)O1 CS-733 [1,0,0,0,1,0|2,0,0]=4 113 B11R2.10 O=C1CC2=C(C=CC=C2)N1 01-1256 [1,0,0,0,1,0|1,0,1]=4 114 B11R2.36 OC1=CC2=C(C=C1)NC=C2 08-1151 [1,0,0,0,1,0|2,0,0]=4 115 B11R2.36 OC1=CC2=C(C=CN2)C=C1 08-1152 [1,0,0,0,1,0|2,0,0]=4