0 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.1 CCCCC1=CC=C(Br)C=C1 CS-W014978 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.1 NCCCC1=CC=C(Cl)C=C1 CS-W021762 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS-W019538 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.1 OCCCC1=CC=C(Br)C=C1 CS-B0314 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 CS-W008014 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS-W017209 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 CS-0037956 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 CS-W017054 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 CS-W022741 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O CS-0030550 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O CS-W012188 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.133 [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)O CS-W013201 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.133 [C@H](C)(OC1=CC=C(O)C=C1)C(=O)O CS-WAA0110 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1Cl CS-0008188 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 CS-D0892 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 CS-0041907 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.155 OC1=NC2=C(C=CC(F)=C2)CC1 CS-0043835 [0,0,0,1,0,0|2,0,1]=4 24 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.20 CC(C)OC1=CC=C(O)C=C1 CS-0000201 [0,0,0,0,1,0|2,0,1]=4 26 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [0,0,0,0,1,0|2,0,0]=3 29 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS-W017265 [0,0,0,0,0,1|2,0,0]=3 30 B10R1.1 N#CCC1=CC=C(O)C=C1 CS-W016539 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.1 NCCC1=CC=C(F)C=C1 CS-W018312 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.1 NCCC1=CC=C(N)C=C1 CS-W021984 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.1 OCCC1=CC=C(Br)C=C1 CS-W004747 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.1 OCCC1=CC=C(I)C=C1 CS-W004990 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [2,0,0,0,0,0|0,0,2]=4 38 B12R1.1 FC1=CC=C(CCCCCl)C=C1 CS-0042392 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.71 CCNCC1=CC=C(OC)C=C1 CS-D0586 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O CS-0015951 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0097724 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 CS-M0651 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 CS-M0652 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS-0028724 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 CS-0059255 [0,1,0,0,1,0|1,0,1]=4 58 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 CS-W022071 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS-W007630 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS-W016774 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 CS-0101078 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 CS-W021404 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 CS-0059228 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS-W002237 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS-W005226 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 CS-W022748 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 CS-0059151 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS-W005417 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS-W007916 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.233 O=C(O)CC1=CC=C(F)C=C1F CS-W020581 [0,1,0,0,1,0|2,0,0]=4 71 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 CS-W022000 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 CS-W018970 [0,1,0,0,0,1|1,0,0]=3 73 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS-W005992 [0,1,0,0,0,1|1,0,0]=3 74 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 CS-W010603 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 CS-W022746 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.419 O=C(O)CCC1=CC=C(C(=O)O)C=C1 CS-0003853 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 CS-0067987 [0,2,0,0,0,0|1,0,1]=4 78 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 CS-0097854 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 CS-0097783 [0,2,0,0,0,0|0,0,0]=2 80 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 CS-W006456 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS-W012554 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 CS-M2499 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 CS-0037204 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 CS-M0586 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.727 COC(=O)COC1=CC=C(O)C=C1C CS-B0471 [0,2,0,0,0,0|1,0,0]=3 86 B14R1.6048 NC(CC(=O)O)C1=CC=C(Cl)C=C1Cl CS-0021852 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.686 [C@H](N)(CC1=CC(Br)=C(O)C=C1)C(=O)O CS-W019172 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O CS-D0593 [0,2,0,0,0,0|1,0,0]=3 89 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 CS-D1568 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.24 BrC1=CC=C2CCOCC2=C1 CS-W006297 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.24 NC1=CC2=C(C=C1)CCNC2 CS-0042575 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.24 OC1=CC=C2CCCCC2=C1 CS-W019501 [1,0,0,1,0,0|0,0,1]=3 93 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 CS-0001933 [1,0,0,1,0,0|1,0,0]=3 94 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 CS-W007571 [1,0,0,1,0,0|0,0,0]=2 95 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS-W019488 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.132 O=C1N=CC2=C1C=C(O)C=C2 CS-W022503 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 CS-0035468 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 CS-0005465 [0,0,0,1,1,0|2,0,0]=4 99 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS-W017747 [0,0,0,1,1,0|2,0,0]=4 100 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS-W021726 [0,0,0,1,1,0|2,0,0]=4 101 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 CS-W010983 [0,0,0,1,1,0|2,0,0]=4 102 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 CS-W019442 [0,0,0,1,1,0|2,0,0]=4 103 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 CS-W005800 [0,0,0,1,1,0|1,0,0]=3 104 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 CS-0101081 [0,0,0,1,0,1|1,0,0]=3 105 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 CS-0046841 [0,0,0,1,0,1|1,0,0]=3 106 B14R2.5816 O=C(O)C1CCC2=C1C=C(Br)C=C2 CS-W022454 [0,0,0,1,0,1|2,0,0]=4 107 B14R2.134 O=C1CCC2=C(C=C(CO)C=C2)N1 CS-0066693 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [1,0,0,0,1,0|1,0,0]=3 110 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [0,0,0,0,2,0|2,0,0]=4 113 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [0,0,0,0,2,0|1,0,0]=3 114 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [0,0,0,0,2,0|2,0,0]=4 115 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [0,0,0,0,2,0|1,0,0]=3 116 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [0,0,0,0,2,0|2,0,0]=4 117 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [0,0,0,0,2,0|1,0,1]=4 118 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [0,0,0,0,2,0|2,0,0]=4 119 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [0,0,0,0,2,0|2,0,0]=4 120 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [0,0,0,0,2,0|2,0,0]=4 121 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [0,0,0,0,2,0|1,0,1]=4 122 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [0,0,0,0,2,0|2,0,0]=4