0 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 CS-0063791 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 CS-W004674 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 CS-W007797 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 CS-W007654 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS-0030581 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.3 CCC1=NC=C([N+](=O)[O-])C=C1 CS-0099212 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 CS-0045745 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 COC1=CC=C(B(O)O)C=N1 CS-W019911 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 COC1=CC=C(C(N)=O)C=C1 CS-W022205 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS-W019666 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 COC1=NC=C(B(O)O)C=N1 CS-W004698 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 CSC1=CC=C(B(O)O)C=C1 CS-D1041 [0,0,0,0,0,0|1,1,1]=3 12 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 CS-0063816 [0,0,0,0,0,0|0,1,0]=1 13 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 CS-D1546 [0,0,0,0,0,0|2,1,0]=3 14 B11R1.3 NCC1=CC=C(B(O)O)C=C1 CS-0042868 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS-W018098 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 CS-W015931 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS-W018162 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 CS-W007577 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS-W008115 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.3 C=CC1=CC=C(C#N)C=C1 CS-0110672 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.3 CNC1=CC=C(OC)C=C1 CS-W013331 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.3 COC1=CC=C(C#N)C=C1 CS-W013398 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.3 COC1=CC=C(NN)C=C1 CS-W007694 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.3 COC1=CC=C([N+]#N)C=C1 CS-W009319 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.3 COC1=CN=C(C=O)C=C1 CS-W005343 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.3 COC1=CN=C(C=O)C=N1 CS-0054598 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.3 CSC1=NC=C(C=O)C=N1 CS-0043952 [1,0,0,0,0,0|2,1,0]=4 28 B10R1.3 OCC1=CC=C(CO)C=C1 CS-W016500 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS-W009284 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS-0007012 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS-W016511 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.13 Cc1ccc(C(C)C)cc1 CS-M3206 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS-W002389 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-0102805 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-W017476 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS-W019509 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS-W022386 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 CS-D1388 [1,0,0,0,0,0|2,1,0]=4 53 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 CS-D1204 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 O=C(O)C1=CN=C(O)N=C1 CS-0044024 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS-W008708 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS-W018782 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS-W016216 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS-B0945 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 CS-0055735 [1,0,0,0,0,0|1,1,1]=4 61 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 CS-W016470 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS-D1133 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [1,0,0,0,0,0|2,0,1]=4 65 B12R1.5 C(=O)C1=CC=C(C(=O)OC)C=C1 CS-W009013 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.5 COC(=O)C1=CN=C(OC)C=N1 CS-M3285 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 CS-0054096 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 CS-W016981 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.5 COC1=CC=C(C(=O)CCl)C=N1 CS-W020535 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.48 CCC1=CC=C(C(=O)O)C=C1N CS-0030449 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 CS-W017706 [0,1,0,0,0,0|0,0,0]=1 72 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 CS-W023099 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.48 COC1=CC=C(C(C)=O)C=C1F CS-W017811 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1F CS-0007667 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O CS-B1762 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.48 COC1=NC=C(B(O)O)C=C1Cl CS-0046219 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.48 COC1=NC=C(C(=O)O)C=C1Br CS-0041802 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1Br CS-0059269 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C CS-0063957 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 CS-0060338 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 CS-W006155 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 CS-W016096 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 CS-W007778 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 CS-0011439 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 CS-W012985 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 CS-D1037 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.256 CC(O)C1=CC=C(B(O)O)C=C1 CS-0029540 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.256 CC(O)C1=CC=C(C(=O)O)C=C1 CS-W021982 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 CS-M0681 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS-B0814 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS-M3306 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.256 O=C(O)C1=CN=C([N+](=O)[O-])C=C1 CS-W003159 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.256 O=C(O)C1=NC=C([N+](=O)[O-])C=C1 CS-W008569 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.452 CC1=CC(C#N)=CC=C1C(=O)O CS-0101366 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 CS-W005678 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 CS-W016876 [0,1,0,0,0,0|0,0,0]=1 97 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 CS-W007883 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.452 COC1=CC=C(C(=O)O)C(F)=C1 CS-W002640 [0,1,0,0,0,0|0,0,0]=1 99 B12R1.452 COC1=CC=C(C(=O)O)C(N)=C1 CS-B0778 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.452 COC1=CC=C(C(C)=O)C(C)=C1 CS-0105511 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.452 COC1=CC=C(C(C)=O)C(F)=C1 CS-W008763 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.452 COC1=CC=C([N+](=O)[O-])C(=O)N1 CS-0063944 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Br)=N1 CS-0041788 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=N1 CS-W020694 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.452 COC1=CC=C([N+](=O)[O-])C(F)=C1 CS-D1687 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.452 COC1=CC=C([N+](=O)[O-])C(I)=N1 CS-0063885 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 CS-0094254 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.452 CSC1=NC=C(C(=O)O)C(N)=N1 CS-0042856 [0,1,0,0,0,0|2,1,0]=4 109 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 CS-W008006 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.452 O=CC1=CC=C(C(=O)O)C(Cl)=C1 CS-0099139 [0,1,0,0,0,0|2,0,0]=3 111 B12R2.1384 OB(O)C1=CC=C2CCC2=C1 CS-0043999 [0,0,0,1,0,0|2,0,1]=4 112 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS-0028724 [0,0,0,0,0,1|3,0,0]=4 113 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 CS-0059255 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.1 C=CC1=CC=C(Br)C=C1 CS-W009005 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.1 C=CC1=CC=C(O)C=C1 CS-W005288 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.1 CC1=CC=C(C=O)C=N1 CS-D0589 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.1 CC1=CC=C(CN)C=C1 CS-W022218 [2,0,0,0,0,0|1,0,1]=4 118 B9R1.1 CC1=CC=C(NN)C=C1 CS-W016192 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 CC1=NC=C(C=O)C=N1 CS-D1652 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 CCC1=CC=C(Br)C=C1 CS-W016965 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 CCC1=CC=C(I)C=C1 CS-0109504 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.1 CNC1=CC=C(N)C=C1 CS-W022918 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 COC1=CN=C(N)C=C1 CS-D1544 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.1 COC1=NC=C(Br)C=C1 CS-D0943 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.1 COC1=NC=C(F)C=C1 CS-0007509 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.1 COC1=NC=C(O)C=C1 CS-W005101 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.1 NC1=CC=C(CO)C=C1 CS-W007465 [2,0,0,0,0,0|1,0,1]=4 128 B9R1.1 NCC1=CC=C(O)C=C1 CS-W004078 [2,0,0,0,0,0|1,0,1]=4 129 B9R1.1 O=CC1=CC=C(Br)N=C1 CS-D0958 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.1 O=CC1=CC=C(F)C=C1 CS-W008729 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.1 O=CC1=CN=C(F)C=C1 CS-W004680 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.1 O=CC1=CNC(=O)C=C1 CS-W019709 [2,0,0,0,0,0|1,0,1]=4 133 B9R1.1 O=CC1=NC=C(O)C=C1 CS-W005647 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [2,0,0,0,0,0|1,0,1]=4 137 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [2,0,0,0,0,0|0,0,1]=3 140 B11R1.83 CNCC1=CC=C(OC)C=C1 CS-D0566 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.83 COC1=CC=C(CNN)C=C1 CS-W018557 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.279 CC1=CC(C#N)=CC=C1C=O CS-W022185 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.279 COC1=C(Br)C=C(CO)C=C1 CS-W008397 [1,1,0,0,0,0|0,0,1]=3 144 B11R1.279 COC1=C(F)C=C(C=O)C=C1 CS-W007614 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 CS-W021614 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 CS-0043807 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.279 COC1=CC=C(C=O)C=C1I CS-0041339 [1,1,0,0,0,0|0,0,0]=2 148 B11R1.279 COC1=CC=C(OC)C(N)=C1 CS-W020681 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-0038697 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-D0217 [1,1,0,0,0,0|1,0,0]=3 151 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-D1126 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W005880 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W006139 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W022910 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.19 CC1=NC=C(S(=O)(=O)O)C=C1 CS-W006199 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 CS-W022956 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS-W005607 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 CS-W016243 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.21 CC(=O)C1=CC=C(O)C(Br)=C1 CS-0042105 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS-W007779 [1,1,0,0,0,0|0,0,0]=2 161 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS-0032913 [1,1,0,0,0,0|0,0,0]=2 162 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS-W019905 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 CS-0043478 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS-W022384 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS-W010963 [1,1,0,0,0,0|0,0,0]=2 166 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 CS-M3392 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.21 CC1=CC(B(O)O)=CC=C1O CS-0061270 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.21 CC1=CC(C(=O)O)=CC=C1N CS-W018121 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS-D1645 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.21 CC1=CC=C(B(O)O)C=C1O CS-0083482 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.21 CC1=CC=C(C(=O)O)C=C1C CS-W018150 [1,1,0,0,0,0|0,0,0]=2 172 B11R1.21 CC1=CC=C(C(=O)O)C=C1I CS-W020661 [1,1,0,0,0,0|0,0,0]=2 173 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1I CS-W012471 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br CS-W007217 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 CS-0067533 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.21 NC(=O)C1=CC=C(I)C(O)=C1 CS-W020532 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 CS-W022442 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 CS-W014872 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS-W008331 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS-W016253 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl CS-W020673 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.21 NC1=CC=C(C(=O)O)C=C1O CS-W002114 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.21 O=C(O)C1=CC(Br)=C(Br)N=C1 CS-0041188 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS-W006144 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 CS-W007398 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS-W008099 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS-W014591 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CS-0060337 [1,1,0,0,0,0|0,0,0]=2 189 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 CS-W014369 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS-W008049 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 CS-W009127 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 CS-0058406 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 CS-0038628 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS-W014980 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS-W016035 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS-W004846 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 CS-B1786 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS-W007781 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.22 COC(=O)C1=CC=C(F)N=C1 CS-W008583 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS-W007583 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS-W009283 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS-M0627 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS-W006118 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 CS-W018846 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS-0018830 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS-W009245 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.22 COC(=O)C1=NN=C(O)C=C1 CS-0043958 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 CS-W022181 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS-W009314 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS-W005109 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Cl CS-W019153 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1O CS-0040210 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS-W018148 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS-W005794 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O CS-W008346 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.166 CC1=CC(F)=CC=C1C(=O)O CS-0020153 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 CS-D1029 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 CS-B0702 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=C1 CS-D1384 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.166 NC1=C(C(=O)O)N=CC(Br)=C1 CS-W013163 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O CS-D1675 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.166 NC1=CC(O)=CC=C1C(=O)O CS-0096257 [1,1,0,0,0,0|0,0,0]=2 223 B11R1.166 NC1=CC(O)=CC=C1[N+](=O)[O-] CS-0018956 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O CS-B0235 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS-W010056 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=N1 CS-W006913 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 CS-W008439 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS-W014051 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS-W008186 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F CS-M3187 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I CS-0067143 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl CS-D1753 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.166 O=C(O)C1=CC=C(F)N=C1F CS-0091204 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br CS-0041189 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1F CS-W007386 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1O CS-0036812 [1,1,0,0,0,0|1,0,1]=4 237 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 CS-W005340 [0,1,0,0,0,1|2,0,0]=4 238 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 CS-W017120 [0,1,0,0,0,1|0,0,0]=2 239 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 CS-0030404 [0,1,0,0,0,1|1,0,0]=3 240 B13R1.585 O=C(O)CC1=CC=C(B(O)O)C=C1 CS-0042847 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 CS-D1370 [0,1,0,0,0,1|2,0,0]=4 242 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 CS-W010257 [0,1,0,0,0,1|0,0,0]=2 243 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 CS-M1998 [0,2,0,0,0,0|0,0,2]=4 244 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 CS-W022802 [0,2,0,0,0,0|0,0,0]=2 245 B13R1.95 COC(=O)C1=C(F)C=C(C#N)C=C1 CS-0043682 [0,2,0,0,0,0|2,0,0]=4 246 B13R1.95 COC(=O)C1=CC=C(C#N)C=C1C CS-B1028 [0,2,0,0,0,0|2,0,0]=4 247 B13R1.95 COC(=O)C1=CC=C(OC)C=C1C CS-0043197 [0,2,0,0,0,0|0,0,0]=2 248 B13R1.95 COC(=O)C1=CC=C(OC)C=C1O CS-W009087 [0,2,0,0,0,0|0,0,0]=2 249 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Cl CS-0040125 [0,2,0,0,0,0|1,0,0]=3 250 B13R1.95 COC1=CC=C(C(=O)NN)C(O)=C1 CS-0100349 [0,2,0,0,0,0|1,0,0]=3 251 B13R1.537 CC(NN)C1=CC=C(C(=O)O)C=C1 CS-M0653 [0,2,0,0,0,0|1,0,0]=3 252 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=C1 CS-W017217 [0,2,0,0,0,0|0,0,0]=2 253 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 CS-M0171 [0,2,0,0,0,0|1,0,0]=3 254 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 CS-B0176 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.537 COC(=O)C1=CC=C([N+](=O)[O-])C=C1 CS-W016003 [0,2,0,0,0,0|1,0,1]=4 256 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 CS-W017157 [0,2,0,0,0,0|0,0,0]=2 257 B13R1.3088 COC(=O)C1=CC=C(C=O)C(O)=C1 CS-0044168 [0,2,0,0,0,0|2,0,0]=4 258 B13R1.3088 COC(=O)C1=CC=C(CO)C(F)=C1 CS-0042796 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.3088 COC(=O)C1=CC=C(OC)C(F)=C1 CS-W017010 [0,2,0,0,0,0|0,0,0]=2 260 B13R1.96 COC1=CC=C(S(C)(=O)=O)C(I)=C1 CS-0041043 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 CS-W020585 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 CS-W015914 [0,2,0,0,0,0|2,0,0]=4 263 B13R1.120 NC1=C(C(=O)O)C=CC(C(=O)O)=C1 CS-W004675 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.120 O=C(O)C1=CC(Cl)=C(C(=O)O)C=C1 CS-W006771 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.120 O=C(O)C1=CC=C(C(=O)O)C(Br)=C1 CS-W012728 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.120 O=C(O)C1=CC=C([N+](=O)[O-])C(O)=C1 CS-D0899 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.120 O=C(O)C1=CC=C([N+](=O)[O-])C=C1Cl CS-W008613 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.120 O=C(O)C1=CC=C([N+](=O)[O-])C=C1F CS-B1276 [0,2,0,0,0,0|2,0,0]=4 269 B13R1.120 O=C(O)C1=CC=C([N+](=O)[O-])C=C1I CS-0041123 [0,2,0,0,0,0|2,0,0]=4 270 B13R1.120 O=C(O)C1=CC=C([N+](=O)[O-])C=C1O CS-W007918 [0,2,0,0,0,0|2,0,0]=4 271 B13R1.144 CCOC1=C(F)C=C(B(O)O)C=C1 CS-W017023 [0,2,0,0,0,0|1,0,1]=4 272 B13R1.144 CCOC1=CC=C(C(=O)O)C=C1Cl CS-0089307 [0,2,0,0,0,0|0,0,0]=2 273 B13R1.652 COC1=C(C)C=C(B(O)O)C(C)=C1 CS-0067911 [0,2,0,0,0,0|1,0,1]=4 274 B13R1.652 COC1=C(F)C=C(C(=O)O)C(F)=C1 CS-0102045 [0,2,0,0,0,0|0,0,0]=2 275 B13R1.652 COC1=CC(F)=C([N+](=O)[O-])C=C1N CS-B0928 [0,2,0,0,0,0|1,0,1]=4 276 B13R1.3091 COC1=CC=C(B(O)O)C=C1CO CS-0042817 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.3091 COC1=CC=C([N+](=O)[O-])C=C1C=O CS-0043160 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.3096 COC1=CC=C(B(O)O)C(F)=C1F CS-W016834 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.3096 COC1=CC=C(C(=O)O)C(C)=C1C CS-M2517 [0,2,0,0,0,0|0,0,0]=2 280 B13R1.3380 COC1=C(Br)C=C(C(=O)O)C=C1Br CS-0095993 [0,2,0,0,0,0|0,0,0]=2 281 B13R1.3380 COC1=C(Br)C=C(C(=O)O)C=C1O CS-0041474 [0,2,0,0,0,0|0,0,0]=2 282 B13R1.385 CCOC1=CC(Cl)=C(B(O)O)C=C1 CS-W015595 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.385 CCOC1=CC(F)=C(B(O)O)C=C1 CS-0038985 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.385 CCOC1=CC=C(B(O)O)C(C)=C1 CS-0020151 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.99 COC1=CC=C(B(O)O)C(C#N)=C1 CS-0101372 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.99 COC1=CC=C(B(O)O)C(C=O)=C1 CS-0100651 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.99 COC1=CC=C(B(O)O)C(OC)=C1 CS-D1031 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.428 COC1=CC(C)=C(C(=O)O)C(C)=C1 CS-0094401 [0,2,0,0,0,0|0,0,0]=2 289 B11R1.159 CC1=C(I)C(C(=O)O)=CC=C1 CS-W007789 [0,0,1,1,0,0|2,0,0]=4 290 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 CS-W013297 [0,0,1,1,0,0|2,0,0]=4 291 B11R1.159 CN1C=CC=C(C(=O)O)C1=O CS-0038255 [0,0,1,1,0,0|2,0,0]=4 292 B13R2.2121 COC1=CC=C2C=C(I)SC2=C1 CS-B0374 [0,0,0,1,0,1|1,1,0]=4 293 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 CS-W008520 [0,0,0,1,0,1|2,0,0]=4 294 B13R2.2121 COC1=CC=C2SC(N)=NC2=C1 CS-0042967 [0,0,0,1,0,1|2,0,0]=4 295 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 CS-W016184 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 CS-M0161 [0,1,0,1,0,0|1,0,0]=3 297 B13R2.430 O=C(O)C1=CC2=C(C=C1)COC2 CS-0059222 [0,1,0,1,0,0|0,0,0]=2 298 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 CS-D0343 [0,1,0,1,0,0|1,0,1]=4 299 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 CS-W019369 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 CS-D1455 [0,1,0,1,0,0|0,0,0]=2 301 B13R2.430 O=[N+]([O-])C1=CC=C2OCOC2=C1 CS-0059218 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.35 CC1=CC(C(=O)O)=NN1 CS-D1083 [1,0,0,0,1,0|2,0,0]=4 303 B9R1.35 CC1=CC(C(=O)O)=NO1 CS-W007575 [1,0,0,0,1,0|2,0,0]=4 304 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [1,0,0,0,1,0|1,0,0]=3 305 B9R1.35 CC1=CSC(C(=O)O)=N1 CS-W008124 [1,0,0,0,1,0|2,0,0]=4 306 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [1,0,0,0,1,0|2,0,0]=4 307 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [1,0,0,0,1,0|2,0,0]=4 308 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [1,0,0,0,1,0|2,0,0]=4 309 B9R1.35 O=C(O)C1=CSC(Br)=C1 CS-D0428 [1,0,0,0,1,0|2,0,0]=4 310 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [1,0,0,0,0,1|2,0,0]=4 311 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [1,0,0,0,0,1|1,0,0]=3 312 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [1,0,0,0,0,1|1,0,0]=3 313 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [1,0,0,0,0,1|1,0,0]=3 314 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 CS-0044005 [0,0,0,0,1,1|1,0,1]=4 315 B11R1.266 COC1=CC(C(=O)O)=CC=N1 CS-D0186 [0,0,0,0,1,1|0,0,0]=2 316 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS-W005027 [0,0,0,0,1,1|0,0,0]=2 317 B11R1.266 COC1=CC(C(C)=O)=CC=C1 CS-W020599 [0,0,0,0,1,1|1,0,0]=3 318 B11R1.266 COC1=CN=CC(C(N)=O)=N1 CS-0097635 [0,0,0,0,1,1|2,0,0]=4 319 B11R1.266 COC1=NC=NC(C(=O)O)=C1 CS-W022509 [0,0,0,0,1,1|1,0,0]=3 320 B11R1.266 N#CC1=NC=CC(C(=O)O)=C1 CS-W006242 [0,0,0,0,1,1|2,0,0]=4 321 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 CS-0067117 [0,0,0,0,1,1|2,0,0]=4 322 B11R1.266 O=C(O)C1=NC=CC(CO)=C1 CS-0100548 [0,0,0,0,1,1|2,0,0]=4 323 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 CS-W008014 [0,0,0,0,0,2|2,0,0]=4