0 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 CS-W019257 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl CS-W010519 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 FC1=CC2=C(C=CN=C2)C=C1Br CS-0040096 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS-W008094 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS-W016413 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 ClC1=CC2=C(C=CC=N2)C=C1 CS-W005984 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS-W007458 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 CS-W005337 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS-W007524 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS-W008203 [1,0,0,0,0,0|1,0,0]=2 10 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 CS-0102806 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [0,0,1,0,0,0|2,0,1]=4 12 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [0,0,1,0,0,0|1,0,2]=4 13 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-0042547 [0,0,1,0,0,0|1,0,2]=4 14 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 CS-W021857 [0,0,0,0,1,0|2,1,0]=4 15 B12R2.18 CN1C(=O)NC2=CC=CC=C21 CS-0035509 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,1,0,0,0|1,0,0]=3 18 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [1,0,1,0,0,0|0,0,2]=4 19 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [1,0,1,0,0,0|1,0,1]=4 20 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-0031474 [1,0,1,0,0,0|1,0,1]=4 22 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-W007478 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.86 CC1=CC=CC=C1CC(=O)O CS-W018151 [1,0,1,0,0,0|1,0,1]=4 24 B11R1.86 O=C(O)CC1=CC=CC=C1F CS-W020118 [1,0,1,0,0,0|1,0,1]=4 25 B11R2.20 C1=CC2=CN=CC=C2N=C1 CS-W011109 [2,0,0,0,0,0|2,0,0]=4 26 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS-W013448 [2,0,0,0,0,0|2,0,0]=4 27 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS-B0780 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS-W018849 [0,1,1,0,0,0|0,0,2]=4 29 B13R1.135 [C@H](O)(CC1=CC=CC=C1)C(=O)OC CS-W007891 [0,1,1,0,0,0|0,0,2]=4 30 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CS-W023105 [0,1,1,0,0,0|0,0,2]=4 31 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS-W004804 [1,1,0,0,0,0|2,0,0]=4 32 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CS-D1121 [1,1,0,0,0,0|1,0,0]=3 33 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 CS-W008445 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.155 O=C1C=C2C=C(Br)C=CC2=CN1 CS-W009202 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 CS-W019815 [1,1,0,0,0,0|1,0,0]=3 36 B13R2.155 OC1=NC2=C(C=CC(Br)=C2)C=C1 CS-W006087 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.155 OC1=NC2=C(C=CC(Br)=C2)OC1 CS-W013002 [1,1,0,0,0,0|1,0,1]=4 38 B13R2.162 CC1=NC2=C(C=CC=C2Br)C=C1 CS-W008274 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.162 ClC1=CC=CC2=C1N=C(Cl)C=C2 CS-W010549 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 CS-M2624 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 CS-D1708 [1,1,0,0,0,0|1,0,0]=3 42 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 CS-W017357 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 CS-W017355 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 CS-0019244 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 CS-W006264 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 CS-W006004 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CS-M0780 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.328 OC1=CC(Br)=C2C=CC=CC2=C1 CS-0040518 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.328 OC1=CC(Cl)=C2N=CC=CC2=C1 CS-0029519 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 CS-0020042 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.3683 CC1=CC2=C(C=C1)N=C(C)C=C2 CS-W010911 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.3683 O=C1C=CC2=CC(Cl)=CC=C2N1 CS-W017247 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.3683 O=C1C=NC2=C(C=CC(Br)=C2)N1 CS-W005675 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 CS-0102162 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 CS-0105280 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 CS-W007520 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O CS-W010873 [0,1,0,0,1,0|1,0,1]=4 58 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O CS-W007383 [0,1,0,0,1,0|1,0,1]=4 59 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O CS-W007549 [0,1,0,0,1,0|1,0,1]=4 60 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O CS-0041245 [0,1,0,0,1,0|1,0,1]=4 61 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O CS-W004962 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O CS-W008848 [0,1,0,0,1,0|1,0,0]=3 63 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O CS-W009274 [0,1,0,0,1,0|1,0,1]=4 64 B13R2.4856 O=C1NC2=C(C1=O)C(Br)=CC=C2 CS-W008631 [0,1,0,0,1,0|1,0,1]=4 65 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O CS-W016820 [0,2,0,0,0,0|1,0,0]=3 66 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS-W019416 [0,0,1,1,0,0|2,0,0]=4 67 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CS-M1850 [0,0,1,1,0,0|1,0,0]=3 68 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CS-W004676 [0,0,1,1,0,0|0,0,0]=2 69 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CS-D0705 [0,0,1,1,0,0|2,0,0]=4 70 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-W008320 [0,0,1,1,0,0|2,0,0]=4 71 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [0,0,1,0,1,0|0,0,2]=4 72 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [0,0,1,0,1,0|1,0,1]=4 73 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [0,0,1,0,1,0|1,0,1]=4 74 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [0,0,1,0,1,0|0,0,1]=3 75 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [1,0,0,0,1,0|2,0,0]=4 76 B11R2.10 CC1=NC2=CC=CC=C2O1 CS-0095153 [1,0,0,0,1,0|2,0,0]=4 77 B11R2.10 ClC1=NC2=CC=CC=C2O1 CS-0030558 [1,0,0,0,1,0|2,0,0]=4 78 B11R2.10 O=C1CC2=C(C=CC=C2)C1 CS-W020518 [1,0,0,0,1,0|1,0,1]=4 79 B11R2.36 O=C1C=CC2=C(NC=C2)N1 CS-W023178 [1,0,0,0,1,0|2,0,0]=4 80 B11R2.36 OC1=CN=C2NC=CC2=C1 CS-D0720 [1,0,0,0,1,0|2,0,0]=4 81 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CS-W019322 [0,0,1,0,0,1|0,0,2]=4