0 B11R1.91 O=C(O)CCC1=NC=CC=N1 F13615 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 79382 [0,1,0,0,0,0|2,0,0]=3 3 B12R1.21 O=C(O)CCC1=CN=C(F)C=C1 72627 [0,1,0,0,0,0|1,0,2]=4 4 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,1,0,0,0,0|1,0,0]=2 5 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 D85212 [0,1,0,0,0,0|1,0,2]=4 6 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 D85249 [0,1,0,0,0,0|1,0,2]=4 7 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 72786 [0,1,0,0,0,0|1,0,2]=4 8 B12R1.125 O=C(O)CCC1=C(Br)C=CC=N1 F30873 [0,1,0,0,0,0|1,0,2]=4 9 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 71960 [0,1,0,0,0,0|1,0,2]=4 10 B12R1.226 O=C(O)COC1=NC=CC(Cl)=C1 W18283 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 F30772 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.24 FC1=CC2=CC=CC=C2C=N1 D82691 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.24 IC1=CC2=CC=NC=C2C=C1 78444 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 NC1=NC2=CC=NC=C2C=C1 80663 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.24 OC1=CC2=CN=CC=C2C=N1 F13344 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [0,0,0,0,1,0|2,0,1]=4 17 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [1,1,0,0,0,0|0,0,0]=2 18 B11R1.20 O=C(O)CC1=CN=C(Br)C=C1 AB22208 [0,1,0,0,1,0|1,0,1]=4 19 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,1,0,0,1,0|0,0,1]=3 20 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [0,1,0,0,1,0|1,0,1]=4 21 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 AT11209 [0,1,0,0,1,0|1,0,1]=4 22 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 F18201 [0,1,0,0,1,0|1,0,1]=4 23 B13R1.348 C[C@@H](CC(=O)O)OC1=CC=CC=C1 W19103 [0,1,0,0,0,1|0,0,2]=4 24 B13R1.3 COC1=CC=C(\C=C\B(O)O)C=C1 D76970 [0,2,0,0,0,0|1,0,1]=4 25 B13R1.14 COC(=O)\C=C\C1=CN=C(N)C=C1 Y11004 [0,2,0,0,0,0|1,0,0]=3 26 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 Y13617 [0,2,0,0,0,0|0,0,2]=4 27 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O Y11468 [0,2,0,0,0,0|0,0,2]=4 28 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y12214 [0,2,0,0,0,0|0,0,2]=4 29 B13R1.202 NC1=C(C[C@H](N)C(=O)O)C=CC=C1 Y13935 [0,2,0,0,0,0|0,0,2]=4 30 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32287 [0,2,0,0,0,0|0,0,2]=4 31 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 50826 [0,2,0,0,0,0|0,0,2]=4 32 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O F15185 [0,2,0,0,0,0|0,0,2]=4 33 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13612 [0,2,0,0,0,0|0,0,2]=4 34 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13656 [0,2,0,0,0,0|0,0,2]=4 35 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 C75482 [0,2,0,0,0,0|0,0,2]=4 36 B11R1.266 C=CC1=NC=CC(C(=O)O)=C1 AT19513 [0,0,1,1,0,0|1,0,0]=3 37 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [0,0,1,1,0,0|2,0,0]=4 38 B13R2.10 CC1=CNC(C2=CC=CC=C2)=C1 AC1972 [0,0,0,1,0,1|2,0,0]=4 39 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)S1 D77095 [0,0,0,1,0,1|1,1,0]=4 40 B13R2.72 O=C(O)C1=CSC2=C1N=CN=C2 54121 [0,0,0,1,0,1|2,0,0]=4 41 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,0,0,1,0,1|0,0,2]=4 42 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 F52068 [0,0,0,1,0,1|0,0,2]=4 43 B13R2.155 FC1=CC=C2C=CC(Br)=CC2=N1 91505 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.155 OC1=CC=C2C=CC(F)=CC2=C1 N14580 [0,1,0,1,0,0|1,0,0]=3 45 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 F13243 [0,1,0,1,0,0|2,0,0]=4 46 B13R2.32 NC1=C(O)C2=CC=CN=C2C=C1 K10144 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.32 OC1=C(Br)C2=CN=CC=C2C=C1 97593 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.32 OC1=C(Cl)C2=CC=CN=C2C=C1 22957 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.57 OCC1=CC2=CN=CC=C2C=C1 26660 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [0,1,0,1,0,0|0,0,0]=2 51 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br P17804 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 D74564 [0,1,0,1,0,0|1,0,0]=3 53 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 P20955 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 20909 [0,1,0,1,0,0|1,0,0]=3 55 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)N1 C77149 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.435 O=C(O)C1=NN2C=CC=CC2=N1 D86312 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 P12344 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.328 ClC1=CC(Br)=CC2=CC=CC=C12 A10654 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 W17912 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 D97229 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)O1 E70006 [0,1,0,1,0,0|0,0,0]=2 62 B13R2.328 O=C1C=C(Cl)C2=C(N=CC=C2)N1 C75777 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.5179 BrC1=CC=C2C(I)=CC=CC2=C1 AT10842 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.5179 ClC1=C2C=CC(Br)=NC2=CC=C1 D71280 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 F53484 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.5179 OC1=CC=C2C(Br)=CC=NC2=C1 D87193 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.5179 OC1=CC=C2C(Br)=CN=CC2=C1 K10068 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [0,1,0,1,0,0|1,0,0]=3 71 B13R2.5179 OC1=CC=C2C(Cl)=CN=CC2=C1 K10075 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.162 NC1=C2C=C(O)C=NC2=CC=C1 33255 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.162 NC1=C2N=C(Cl)C=CC2=CC=C1 90852 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.3108 O=S1(=O)C=CC2=C1C=CC(Br)=C2 AC5128 [0,1,0,1,0,0|1,0,1]=4 75 B13R2.3683 CC1=CN=C2C=C(O)C=CC2=C1 92262 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=N1 55503 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.3683 O=C1C=CC2=CC(Cl)=NC=C2N1 78948 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.3683 OC1=CC=C2C=C(Cl)N=CC2=C1 79088 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.13 O=C(O)CC1=COC=C1 D96340 [0,0,0,0,2,0|1,0,1]=4