0 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-0031474 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-W007478 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS-D0634 [0,1,0,0,0,0|0,0,2]=3 9 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 CS-0066796 [0,1,0,0,0,0|0,0,2]=3 10 B13R1.42 CCOC(=O)COC1=CC=CC=C1 CS-0037469 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-W020629 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 CS-0079911 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS-W018849 [0,1,0,0,0,0|0,0,2]=3 14 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W019793 [0,1,0,0,0,0|0,0,2]=3 15 B13R1.135 [C@H](O)(CC1=CC=CC=C1)C(=O)OC CS-W007891 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS-W022587 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 CS-0114110 [0,0,0,1,0,0|1,0,1]=3 18 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [0,0,0,1,0,0|1,0,2]=4 19 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 CS-0097912 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.10 [C@@H]1(C2=CC=CC=C2)COC(O)=N1 CS-W017924 [0,0,0,1,0,0|1,0,2]=4 21 B13R2.32 CC1=C(Br)C=CC2=C1N=CC=C2 CS-W005742 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS-W004804 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CS-D1121 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [0,0,0,0,1,0|2,0,1]=4 25 B11R1.40 COC(=O)CC1=CC=NC=C1 CS-0015139 [0,0,0,0,1,0|1,0,1]=3 26 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CS-D0496 [0,0,0,0,0,1|0,0,2]=3 27 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CS-W022790 [0,0,0,0,0,1|0,0,2]=3 28 B12R1.21 C(C(=O)O)=CC1=CC=C(Br)C=C1 CS-W013013 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 CS-B1377 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 CS-W019863 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 CS-0047586 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [1,1,0,0,0,0|0,0,2]=4 34 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-0042547 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [1,1,0,0,0,0|0,0,2]=4 37 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 CS-0073823 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br CS-0063883 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-W014304 [1,1,0,0,0,0|0,0,0]=2 44 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 CS-W017867 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS-W016980 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 CS-D0633 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS-W018755 [0,1,0,0,1,0|0,0,1]=3 48 B12R1.34 COC(=O)C(N)C1=CC=NC=C1 CS-0111724 [0,1,0,0,1,0|1,0,1]=4 49 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CS-W015540 [0,1,0,0,1,0|0,0,1]=3 50 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 CS-0038025 [0,1,0,0,1,0|1,0,1]=4 51 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 CS-W022850 [0,1,0,0,1,0|0,0,1]=3 52 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 CS-W008065 [0,1,0,0,1,0|0,0,1]=3 53 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 CS-0028736 [0,1,0,0,1,0|0,0,1]=3 54 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 CS-0036244 [0,1,0,0,1,0|1,0,1]=4 55 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 CS-0088534 [0,1,0,0,1,0|0,0,1]=3 56 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [0,1,0,0,1,0|0,0,1]=3 57 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 CS-W005173 [0,1,0,0,0,1|0,0,1]=3 58 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 CS-W007671 [0,2,0,0,0,0|0,0,2]=4 59 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 CS-0047571 [0,2,0,0,0,0|0,0,0]=2 60 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 CS-M1144 [0,0,1,1,0,0|1,0,1]=4 61 B12R1.77 COC(=O)C1=CC=CC=C1C#N CS-W005307 [0,0,1,1,0,0|1,0,1]=4 62 B12R1.354 COC(=O)C1=C(F)C=CC(N)=C1 CS-0035913 [0,0,1,1,0,0|2,0,0]=4 63 B12R1.354 COC(=O)C1=C(I)C=CC(C)=C1 CS-W011368 [0,0,1,1,0,0|1,0,1]=4 64 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 CS-W007390 [0,0,1,1,0,0|2,0,0]=4 65 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 CS-W008008 [0,0,1,1,0,0|2,0,0]=4 66 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 CS-W013234 [0,0,1,1,0,0|2,0,0]=4 67 B12R1.354 COC(=O)C1=CC(Br)=CC=C1F CS-W009242 [0,0,1,1,0,0|2,0,0]=4 68 B12R1.354 COC(=O)C1=CC(C)=CC=C1Br CS-0046810 [0,0,1,1,0,0|1,0,1]=4 69 B12R1.354 COC(=O)C1=CC(C)=CC=C1F CS-0059150 [0,0,1,1,0,0|1,0,1]=4 70 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1Cl CS-0042645 [0,0,1,1,0,0|2,0,0]=4 71 B12R1.354 COC(=O)C1=CC(I)=CC=C1Cl CS-0041113 [0,0,1,1,0,0|2,0,0]=4 72 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 CS-M2658 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 CS-0001469 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS-W016413 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS-W007458 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS-W007524 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS-W008203 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.44 COC1=CC=C2C=CNC2=N1 CS-B0494 [0,0,0,1,1,0|2,0,0]=4 79 B12R2.44 COC1=CC=C2NC=CC2=C1 CS-W007328 [0,0,0,1,1,0|2,0,0]=4 80 B12R2.18 CN1C(=O)NC2=CC=CC=C21 CS-0035509 [0,0,0,1,1,0|2,0,0]=4 81 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 CS-D1593 [0,0,0,1,0,1|0,0,2]=4 82 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 CS-W017503 [0,1,0,1,0,0|1,0,0]=3 83 B14R2.142 COC1=CC2=C(Br)C=CN=C2C=C1 CS-W014666 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2O CS-W017452 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 CS-W017504 [0,1,0,1,0,0|1,0,0]=3 86 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS-D0103 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 CS-W008262 [0,1,0,1,0,0|0,0,1]=3 88 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CS-B1305 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 CS-0053589 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br CS-0041650 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 CS-W004895 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.18 N=C(O)NC1=CC=CC=C1 CS-W017760 [1,0,0,0,1,0|2,0,0]=4 93 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [0,0,0,0,2,0|1,0,0]=3 94 B10R1.15 COC(=O)C1=NC=CC=N1 CS-M2690 [0,0,0,0,2,0|2,0,0]=4