0 B8R1.2 C#CC1=CN=CC=N1 CS-0044099 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 CNC1=CC=NC=C1 CS-W013674 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 COC1=CC=CC=N1 CS-W009307 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 COC1=CC=CN=N1 CS-W021957 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 COC1=CC=NC=C1 CS-W007634 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 CSC1=CC=CC=C1 CS-0015372 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 ClCC1=CC=CC=N1 CS-W007502 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 ClCC1=CC=NC=C1 CS-W016094 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 N#CC1=CN=CN=C1 CS-M0923 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.2 N#CC1=NC=CN=C1 CS-W008971 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.2 NCC1=CC=CC=N1 CS-W007488 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 NCC1=CN=CN=C1 CS-W022426 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 NCC1=NC=CC=N1 CS-D1165 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 NN=C1C=CNC=C1 CS-W004835 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 NNC1=NC=CC=N1 CS-W005381 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.2 O=CC1=CC=NC=C1 CS-D1135 [0,0,0,0,0,0|1,0,2]=3 18 B8R1.2 OCC1=CC=CN=C1 CS-4356 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.2 OCC1=NN=CC=C1 CS-W005032 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 OCC1CCC=CO1 CS-0020174 [0,0,0,0,0,0|1,0,3]=4 21 B8R1.2 ONC1=CC=CC=C1 CS-W007515 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.3 BrC1=CC=CN=C1 CS-0008362 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 BrC1=CC=NC=C1 CS-M0097 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 BrC1=CC=NC=C1 CS-M3060 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 BrC1=NC=CC=N1 CS-W009110 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 BrC1=NC=NC=C1 CS-0079903 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 CC1=NC=CC=N1 CS-W016665 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 ClC1=CC=NC=C1 CS-W019791 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 ClC1=CN=CC=C1 CS-W011253 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 ClC1=NC=CC=N1 CS-W008600 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 FC1=CC=CC=N1 CS-W011339 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 FC1=CC=NC=C1 CS-W011075 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 FC1=CN=CC=C1 CS-W011338 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 FC1=NC=CC=N1 CS-W018601 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 IC1=CC=CC=C1 CS-W008603 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.3 NC1=CC=CC=C1 CS-W018553 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 NC1=CN=NC=C1 CS-W007757 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 NC1=NC=CN=C1 CS-D1606 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 NC1=NC=NC=C1 CS-W005460 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 O=C1C=NC=CN1 CS-W013733 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 O=C1N=CC=CN1 CS-W002079 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 OC1=CC=CC=N1 CS-0032800 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 OC1=CC=NC=C1 CS-W007690 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 OC1=CC=NN=C1 CS-W008723 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 OC1=NCCC=C1 CS-W006454 [1,0,0,0,0,0|1,0,2]=4 46 B7R1.3 S=C1N=CC=CN1 CS-0043556 [1,0,0,0,0,0|2,1,0]=4 47 B7R1.3 [O-]C1=CC=CC=C1 CS-0048749 [1,0,0,0,0,0|0,0,1]=2 48 B9R1.1 C#CC1=CC=C(Br)C=C1 CS-W007542 [0,1,0,0,0,0|1,0,1]=3 49 B9R1.1 C#CC1=CN=C(O)C=C1 CS-0046193 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.1 C=CC1=CC=C(Br)C=C1 CS-W009005 [0,1,0,0,0,0|1,0,1]=3 51 B9R1.1 C=CC1=CC=C(O)C=C1 CS-W005288 [0,1,0,0,0,0|1,0,1]=3 52 B9R1.1 CC1=CC=C(C=O)C=N1 CS-D0589 [0,1,0,0,0,0|1,0,2]=4 53 B9R1.1 CC1=CC=C(CN)C=C1 CS-W022218 [0,1,0,0,0,0|1,0,0]=2 54 B9R1.1 CC1=CC=C(NN)C=C1 CS-W016192 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.1 CC1=CN=C(CN)C=C1 CS-0019191 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.1 CC1=CN=C(CO)C=N1 CS-W006020 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.1 CCC1=CC=C(Br)C=C1 CS-W016965 [0,1,0,0,0,0|1,0,0]=2 58 B9R1.1 CCC1=CC=C(I)C=C1 CS-0109504 [0,1,0,0,0,0|1,0,0]=2 59 B9R1.1 CCC1=CN=C(Cl)N=C1 CS-W011014 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 CNC1=CC=C(N)C=C1 CS-W022918 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 CNC1=NC=C(Br)C=C1 CS-W008672 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 COC1=CN=C(N)C=C1 CS-D1544 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 COC1=NC=C(Br)C=C1 CS-D0943 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 COC1=NC=C(F)C=C1 CS-0007509 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 COC1=NC=C(O)C=C1 CS-W005101 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 CSC1=NC=C(Br)C=C1 CS-0007564 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 ClCC1=NC=C(Br)C=C1 CS-0043013 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 N#CC1=CC=C(S)C=C1 CS-D0524 [0,1,0,0,0,0|1,0,1]=3 69 B9R1.1 NC1=CC=C(CO)C=C1 CS-W007465 [0,1,0,0,0,0|0,0,0]=1 70 B9R1.1 NCC1=CC=C(O)C=C1 CS-W004078 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.1 NCC1=NC=C(Br)C=C1 CS-W003275 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 NNC1=CC=C(Br)C=C1 CS-W013083 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 NNC1=CC=C(Cl)C=C1 CS-W017296 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.1 NNC1=CC=C(F)C=C1 CS-W007861 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 O=CC1=CC=C(Br)N=C1 CS-D0958 [0,1,0,0,0,0|1,0,2]=4 76 B9R1.1 O=CC1=CC=C(F)C=C1 CS-W008729 [0,1,0,0,0,0|0,0,2]=3 77 B9R1.1 O=CC1=CN=C(F)C=C1 CS-W004680 [0,1,0,0,0,0|1,0,2]=4 78 B9R1.1 O=CC1=CNC(=O)C=C1 CS-W019709 [0,1,0,0,0,0|1,0,2]=4 79 B9R1.1 O=CC1=NC=C(O)C=C1 CS-W005647 [0,1,0,0,0,0|1,0,2]=4 80 B9R1.1 OCC1=CN=C(Cl)N=C1 CS-W020676 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 OCC1=CN=C(F)C=C1 CS-0044070 [0,1,0,0,0,0|1,0,0]=2 82 B9R1.1 OCC1=NC=C(Cl)C=N1 CS-0040369 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.2 C#CC1=CC(F)=CC=C1 CS-W013579 [0,1,0,0,0,0|1,0,1]=3 84 B9R1.2 C#CC1=CC=CC(Br)=C1 CS-W018828 [0,1,0,0,0,0|1,0,1]=3 85 B9R1.2 C#CC1=CN=CC(Cl)=C1 CS-0097872 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.2 C#CC1=NC(F)=CC=C1 CS-0097335 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.2 CC1=CC(C#N)=NC=C1 CS-W008101 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.2 CC1=CC=CC(C=O)=C1 CS-0007820 [0,1,0,0,0,0|0,0,2]=3 89 B9R1.2 CC1=CN=CC(CCl)=C1 CS-W021769 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.2 CC1=CN=CC(CO)=C1 CS-0040539 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.2 CCC1=CC(=N)NC=C1 CS-W007772 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.2 CCC1=CC(Cl)=NC=N1 CS-W020142 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 CNC1=CC=CC(Br)=C1 CS-W004947 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.2 COC1=CC(Cl)=NC=C1 CS-W007914 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 COC1=CC(F)=NC=C1 CS-W006693 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 COC1=CC(I)=CC=C1 CS-W012919 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 COC1=CC=CC(Br)=N1 CS-D1443 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.2 COC1=CC=CC(I)=N1 CS-0037881 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 COC1=CC=NC(C)=C1 CS-W005919 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 COC1=NC=CC(Br)=C1 CS-D0772 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.2 COC1=NC=CC(F)=C1 CS-W006596 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.2 COC1=NC=CC(N)=C1 CS-D0771 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.2 CSC1=CC=CC(Br)=C1 CS-W015472 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.2 FC1=CC=CC(CBr)=N1 CS-W006122 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.2 N#CC1=CC(Cl)=CC=C1 CS-W011053 [0,1,0,0,0,0|1,0,1]=3 106 B9R1.2 N#CC1=CC(Cl)=NC=C1 CS-D0766 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.2 N#CC1=CC(F)=CC=C1 CS-W013568 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.2 N#CC1=CC(O)=CN=C1 CS-W016581 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.2 N#CC1=CC=CC(=O)N1 CS-0045079 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.2 N#CC1=NC(Br)=CC=C1 CS-W007756 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.2 N#CC1=NC(F)=CC=C1 CS-W008396 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.2 N#CC1=NC=CC(N)=C1 CS-W006522 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.2 NCC1=CC(F)=NC=C1 CS-0059165 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.2 NCC1=CC(O)=CC=C1 CS-0079906 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.2 NCC1=CC=CC(I)=C1 CS-W002083 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.2 NNC1=CC(Cl)=NC=C1 CS-W009067 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.2 O=CC1=CC(=O)NC=C1 CS-0006441 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.2 O=CC1=CC(Br)=NC=C1 CS-W007762 [0,1,0,0,0,0|1,0,2]=4 119 B9R1.2 O=CC1=CC(I)=CC=C1 CS-W007699 [0,1,0,0,0,0|0,0,2]=3 120 B9R1.2 O=CC1=CC=CC(Br)=C1 CS-W009197 [0,1,0,0,0,0|0,0,2]=3 121 B9R1.2 O=CC1=CN=CC(F)=C1 CS-W018621 [0,1,0,0,0,0|1,0,2]=4 122 B9R1.2 O=CC1=NC(Br)=CC=C1 CS-D0741 [0,1,0,0,0,0|1,0,2]=4 123 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS-W005244 [0,1,0,0,0,0|1,0,2]=4 124 B9R1.2 O=CC1=NC=CC(Br)=C1 CS-W004857 [0,1,0,0,0,0|1,0,2]=4 125 B9R1.2 OCC1=CC(Br)=CC=C1 CS-W007761 [0,1,0,0,0,0|0,0,0]=1 126 B9R1.2 OCC1=CC(Cl)=CC=C1 CS-W018271 [0,1,0,0,0,0|0,0,0]=1 127 B9R1.2 OCC1=CC(I)=CC=C1 CS-0059266 [0,1,0,0,0,0|0,0,0]=1 128 B9R1.2 OCC1=CC(O)=CN=C1 CS-0094527 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.2 OCC1=NC=CC(Br)=C1 CS-W018599 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.2 OCC1=NC=CC(Cl)=C1 CS-W003408 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,1,0,0,0,0|1,0,2]=4 132 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [0,1,0,0,0,0|1,0,2]=4 133 B9R1.6 CC(C)C1=CC=CC=N1 CS-W019396 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.6 CC(N)C1=NC=CC=C1 CS-M2153 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.6 CC(N)C1=NC=CC=C1 CS-W023139 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.6 C[C@@H](N)C1=CC=NC=C1 CS-0098148 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [0,1,0,0,0,0|0,0,0]=1 140 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [0,1,0,0,0,0|1,0,0]=2 141 B9R1.6 C[C@H](N)C1=CC=CN=C1 CS-0044516 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [0,1,0,0,0,0|1,0,1]=3 143 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,1,0,0,0,0|0,0,2]=3 145 B9R1.6 OB(O)C1=CC=NC=C1 CS-D1206 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [0,1,0,0,0,0|1,0,1]=3 147 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [0,1,0,0,0,0|0,0,0]=1 151 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [0,1,0,0,0,0|0,0,0]=1 153 B9R1.15 C#CC1=C(Br)C=CC=C1 CS-0028333 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.15 C=CC1=CC=CC=C1N CS-W006235 [0,1,0,0,0,0|1,0,1]=3 155 B9R1.15 CC1=C(C#N)N=CC=C1 CS-W016588 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.15 CC1=C(CO)N=CC=C1 CS-0046819 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.15 CC1=CC=CC=C1C=O CS-W008902 [0,1,0,0,0,0|0,0,2]=3 158 B9R1.15 CC1=CC=CC=C1NN CS-W007773 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.15 CCC1=C(Br)C=NC=C1 CS-W021862 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.15 CNC1=CC=CC=C1F CS-W013511 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.15 CNC1=CC=CC=C1N CS-W015729 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.15 CNC1=CN=CC=C1C CS-M3532 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.15 COC1=C(Br)C=CN=C1 CS-0006068 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.15 COC1=C(Br)C=CN=C1 CS-0031482 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.15 COC1=CC=CC=C1Br CS-W007633 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.15 COC1=CC=CC=C1I CS-W009305 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.15 COC1=CC=CN=C1I CS-0063167 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.15 COC1=CC=CN=C1N CS-W019632 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.15 COC1=NC=CC=C1Br CS-D0942 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.15 CSC1=C(N)C=CC=C1 CS-0072892 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.15 ClCC1=C(Cl)N=CC=C1 CS-W016128 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.15 N#CC1=C(O)C=CC=N1 CS-W011210 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.15 N#CC1=CC=CC=C1Br CS-W007475 [0,1,0,0,0,0|1,0,1]=3 174 B9R1.15 N#CC1=CC=CC=C1Cl CS-W018317 [0,1,0,0,0,0|1,0,1]=3 175 B9R1.15 N#CC1=CC=CC=C1O CS-W013585 [0,1,0,0,0,0|1,0,1]=3 176 B9R1.15 N#CC1=CC=CN=C1F CS-D1001 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.15 N=C1C=CNC=C1C=O CS-W008204 [0,1,0,0,0,0|1,0,2]=4 178 B9R1.15 NC1=CC=CC=C1CO CS-W004705 [0,1,0,0,0,0|0,0,0]=1 179 B9R1.15 NCC1=C(Cl)N=CC=N1 CS-W006685 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.15 NCC1=CC=CC=C1Br CS-W004667 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.15 O=CC1=C(O)C=CN=C1 CS-0047693 [0,1,0,0,0,0|1,0,2]=4 182 B9R1.15 O=CC1=CC=CC=C1Br CS-D1759 [0,1,0,0,0,0|0,0,2]=3 183 B9R1.15 O=CC1=CC=CC=C1I CS-W007846 [0,1,0,0,0,0|0,0,2]=3 184 B9R1.15 O=CC1=CC=NC=C1Br CS-W007984 [0,1,0,0,0,0|1,0,2]=4 185 B9R1.15 OCC1=CC=CC=C1Br CS-W008828 [0,1,0,0,0,0|0,0,0]=1 186 B9R1.15 OCC1=CC=CC=C1I CS-W004678 [0,1,0,0,0,0|0,0,0]=1 187 B9R1.15 OCC1=NC=CC=C1F CS-0031358 [0,1,0,0,0,0|1,0,0]=2 188 B9R2.50 C1=CC=C2CCC2=C1 CS-W016636 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.1 BrCC1=CSC=C1 CS-0019157 [0,0,0,0,1,0|2,0,0]=3 190 B7R1.1 COC1=CSC=C1 CS-W008023 [0,0,0,0,1,0|3,0,0]=4 191 B7R1.1 ClCC1=CN=CS1 CS-W006753 [0,0,0,0,1,0|3,0,0]=4 192 B7R1.1 ClCC1=NC=CO1 CS-D0011 [0,0,0,0,1,0|3,0,0]=4 193 B7R1.1 N#CC1=CC=CO1 CS-W016667 [0,0,0,0,1,0|2,0,1]=4 194 B7R1.1 N#CC1=CC=CS1 CS-W004699 [0,0,0,0,1,0|2,0,1]=4 195 B7R1.1 N#CC1=CNC=C1 CS-W006281 [0,0,0,0,1,0|2,0,1]=4 196 B7R1.1 NCC1=CC=CS1 CS-W007649 [0,0,0,0,1,0|2,0,0]=3 197 B7R1.1 NCC1=CN=CN1 CS-W019760 [0,0,0,0,1,0|3,0,0]=4 198 B7R1.1 NCC1=CN=CN1 CS-W020523 [0,0,0,0,1,0|3,0,0]=4 199 B7R1.1 NCC1=CNN=C1 CS-0052529 [0,0,0,0,1,0|3,0,0]=4 200 B7R1.1 NCC1=COC=N1 CS-W022227 [0,0,0,0,1,0|3,0,0]=4 201 B7R1.1 O=CC1=CNC=C1 CS-D1061 [0,0,0,0,1,0|1,0,2]=4 202 B7R1.1 O=CC1=COC=C1 CS-M0782 [0,0,0,0,1,0|1,0,2]=4 203 B7R1.1 OCC1=CC=NO1 CS-D0212 [0,0,0,0,1,0|2,0,0]=3 204 B7R1.1 OCC1=CN=CS1 CS-W013621 [0,0,0,0,1,0|2,0,0]=3 205 B7R1.1 OCC1=CNN=C1 CS-W009163 [0,0,0,0,1,0|2,0,0]=3 206 B7R1.1 OCC1=COC=C1 CS-W007708 [0,0,0,0,1,0|1,0,0]=2 207 B7R1.1 OCC1=CON=C1 CS-W000734 [0,0,0,0,1,0|2,0,0]=3 208 B7R1.1 OCC1=NC=CS1 CS-0028735 [0,0,0,0,1,0|2,0,0]=3 209 B7R1.1 OCC1=NNC=C1 CS-0052530 [0,0,0,0,1,0|2,0,0]=3 210 B6R1.1 C1=CC=NN=C1 CS-W007494 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.3 BrC1=CC=C(I)C=C1 CS-W008977 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.3 CC1=CC=C(I)C=C1 CS-W009210 [1,1,0,0,0,0|0,0,0]=2 213 B8R1.3 CC1=CN=C(Br)C=C1 CS-W007353 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.3 CC1=CN=C(Br)N=C1 CS-W005182 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.3 CC1=CN=C(Cl)N=C1 CS-D0889 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.3 CC1=CN=C(N)C=N1 CS-D0791 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.3 CC1=CN=C(N)N=C1 CS-W009238 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.3 CC1=CN=C(O)C=C1 CS-0101601 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.3 CC1=CNC(=O)C=C1 CS-W011282 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.3 CC1=CNC(=O)C=N1 CS-W008795 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.3 CC1=NC=C(Cl)C=C1 CS-W005312 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.3 CC1=NC=C(O)C=C1 CS-W004681 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.3 CC1=NC=C(O)C=N1 CS-W005972 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.3 CC1=NN=C(Br)C=C1 CS-W019649 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.3 ClC1=CC=C(I)C=C1 CS-W007395 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.3 FC1=CC=C(I)C=C1 CS-D1411 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.3 FC1=CC=C(S)C=C1 CS-0015928 [1,1,0,0,0,0|0,1,0]=3 228 B8R1.3 FC1=NC=C(I)C=C1 CS-W007531 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.3 NC1=CC=C(F)N=C1 CS-D0790 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.3 NC1=CC=C(I)C=C1 CS-W008946 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.3 NC1=CN=C(Cl)C=C1 CS-W007481 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.3 NC1=NC=C(Br)C=C1 CS-D1666 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.3 NC1=NC=C(Cl)C=C1 CS-W018533 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.3 NC1=NC=C(F)C=C1 CS-B0957 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.3 O=C1C=CC(Br)=CN1 CS-D0987 [1,1,0,0,0,0|1,0,1]=4 236 B8R1.3 OC1=CC=C(F)C=C1 CS-W008731 [1,1,0,0,0,0|0,0,0]=2 237 B8R1.3 OC1=CC=C(F)N=C1 CS-W019887 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.3 OC1=CN=C(Br)N=C1 CS-0043736 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.3 OC1=NC=C(I)C=C1 CS-W014749 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.3 OC1=NN=C(Br)C=C1 CS-W007135 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.3 SC1=CC=C(Br)C=C1 CS-0019997 [1,1,0,0,0,0|0,1,0]=3 242 B8R1.4 BrC1=CC=CC(I)=C1 CS-W008957 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.4 CC1=CC(=O)NC=N1 CS-W001866 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.4 CC1=CC(Br)=NC=C1 CS-W007579 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.4 CC1=CC(Cl)=NC=C1 CS-W011139 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.4 CC1=CC(F)=CC=N1 CS-W005007 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.4 CC1=CC(I)=CC=C1 CS-W014806 [1,1,0,0,0,0|0,0,0]=2 248 B8R1.4 CC1=CC=CC(=O)N1 CS-W011283 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.4 CC1=NC(Br)=NC=C1 CS-W007532 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.4 CC1=NC(F)=CC=C1 CS-W013665 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.4 CC1=NC(N)=CN=C1 CS-W005339 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.4 CC1=NC=CC(O)=N1 CS-W019202 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.4 ClC1=CC(Cl)=NC=C1 CS-W004774 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.4 ClC1=CN=CC(Cl)=C1 CS-W016343 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.4 FC1=CC(F)=NC=C1 CS-W011239 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.4 FC1=CC(I)=CN=C1 CS-0042002 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.4 FC1=CC=CC(F)=N1 CS-W013627 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.4 FC1=CN=CC(Cl)=C1 CS-W021904 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.4 NC1=CC=CC(N)=N1 CS-W020019 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.4 NC1=CN=CC(F)=C1 CS-W008078 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.4 NC1=NC=CC(F)=C1 CS-W005118 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.4 NC1=NC=CC(O)=C1 CS-D0773 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.4 OC1=CC=CC(I)=C1 CS-W007364 [1,1,0,0,0,0|0,0,0]=2 264 B8R1.4 OC1=CN=CC(Br)=C1 CS-W019637 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.5 BrC1=CC=CC=C1I CS-W008713 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.5 CC1=C(Br)N=CC=C1 CS-W007712 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.5 CC1=C(C)N=CC=C1 CS-W011290 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.5 CC1=C(Cl)C=CN=C1 CS-W010842 [1,1,0,0,0,0|1,0,0]=3 269 B8R1.5 CC1=CC=CC=C1I CS-W007394 [1,1,0,0,0,0|0,0,0]=2 270 B8R1.5 CC1=CC=NNC1=O CS-W022223 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.5 CC1=NC=CC=C1Cl CS-W003156 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.5 CC1=NC=CC=C1F CS-W019263 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 CC1=NC=CNC1=O CS-W016627 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.5 CN1C=CC=CC1=O CS-0063949 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.5 ClC1=CC=CC=C1I CS-W007543 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.5 ClC1=CC=NC=C1I CS-W014657 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.5 ClC1=NC=CC=C1Br CS-B1311 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.5 FC1=C(F)N=CC=C1 CS-W016604 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.5 FC1=CC=CC=C1I CS-D1738 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.5 FC1=CC=CN=C1Cl CS-W020185 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.5 FC1=CN=CC=C1I CS-W013108 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.5 FC1=NC=CC=C1Br CS-D0935 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.5 FC1=NC=CC=C1I CS-D0937 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.5 N=C1C=CNC=C1F CS-W007902 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.5 NC1=C(Cl)C=CN=C1 CS-D1565 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.5 NC1=C(O)C=CC=N1 CS-W007794 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.5 NC1=C(O)C=NC=C1 CS-0079894 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.5 NC1=CC=CN=C1N CS-D1498 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.5 NC1=CNC=CC1=O CS-W008020 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.5 NC1=NC=CC=C1Br CS-W019714 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.5 NC1=NC=CC=C1F CS-W019868 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.5 NC1=NC=CC=C1I CS-D0969 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.5 OC1=C(Cl)C=NN=C1 CS-W022363 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.5 OC1=C(F)C=CC=C1 CS-0018719 [1,1,0,0,0,0|0,0,0]=2 295 B8R1.5 OC1=C(F)C=NC=C1 CS-W021927 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.5 OC1=CC=CC=C1I CS-W008896 [1,1,0,0,0,0|0,0,0]=2 297 B8R1.5 OC1=CC=CN=C1Cl CS-D0978 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.5 OC1=CC=CN=C1F CS-W019913 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.5 OC1=CC=CN=C1I CS-D1763 [1,1,0,0,0,0|1,0,0]=3 300 B8R1.5 OC1=CN=CC=C1Br CS-W006061 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.1 CC1=CC(CO)=NO1 CS-W013653 [0,1,0,0,1,0|2,0,0]=4 302 B8R1.1 CC1=NC(CO)=CS1 CS-0045367 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.1 ClCC1=CC=C(Cl)S1 CS-W017849 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.1 OCC1=CC(Br)=NO1 CS-0031362 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.1 OCC1=NC=C(Br)S1 CS-0042631 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [0,1,0,0,1,0|1,0,1]=4 307 B8R1.8 CNCC1=CC=CS1 CS-W018825 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.8 CNCC1=CSC=C1 CS-B1142 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.8 COCN1C=CN=C1 CS-W019016 [0,1,0,0,1,0|2,0,0]=4 310 B8R1.8 N#CCC1=CSC=C1 CS-0040874 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.8 NCCC1=CC=CO1 CS-B1143 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.8 OCCC1=CC=CS1 CS-W020421 [0,1,0,0,1,0|1,0,0]=3 313 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS-W008769 [0,2,0,0,0,0|1,0,0]=3 314 B10R1.1 N#CCC1=CC=C(I)C=C1 CS-W005301 [0,2,0,0,0,0|1,0,0]=3 315 B10R1.1 N#CCC1=CC=C(O)C=C1 CS-W016539 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.1 N#CCC1=CN=C(Cl)C=C1 CS-W013293 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.1 NCCC1=CC=C(F)C=C1 CS-W018312 [0,2,0,0,0,0|1,0,0]=3 318 B10R1.1 NCCC1=CC=C(N)C=C1 CS-W021984 [0,2,0,0,0,0|1,0,0]=3 319 B10R1.1 NOCC1=CC=C(F)C=C1 CS-0043692 [0,2,0,0,0,0|0,0,0]=2 320 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [0,2,0,0,0,0|1,0,0]=3 321 B10R1.1 OCCC1=CC=C(Br)C=C1 CS-W004747 [0,2,0,0,0,0|0,0,0]=2 322 B10R1.1 OCCC1=CC=C(I)C=C1 CS-W004990 [0,2,0,0,0,0|0,0,0]=2 323 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS-W008115 [0,2,0,0,0,0|0,0,2]=4 324 B10R1.3 C=CC1=CC=C(C#N)C=C1 CS-0110672 [0,2,0,0,0,0|1,0,1]=4 325 B10R1.3 CNC1=CC=C(OC)C=C1 CS-W013331 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.3 COC1=CC=C(C#N)C=C1 CS-W013398 [0,2,0,0,0,0|1,0,1]=4 327 B10R1.3 COC1=CC=C(NN)C=C1 CS-W007694 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.3 COC1=CC=C([N+]#N)C=C1 CS-W009319 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.3 OCC1=CC=C(CO)C=C1 CS-W016500 [0,2,0,0,0,0|0,0,0]=2 330 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [0,2,0,0,0,0|0,0,2]=4 332 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [0,2,0,0,0,0|0,0,2]=4 333 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS-W020082 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [0,2,0,0,0,0|0,0,0]=2 335 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS-W009284 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [0,2,0,0,0,0|1,0,1]=4 337 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [0,2,0,0,0,0|1,0,1]=4 338 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS-W019205 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [0,2,0,0,0,0|1,0,1]=4 340 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [0,2,0,0,0,0|1,0,1]=4 341 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 CS-B0174 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 CS-B1284 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0231 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-B0690 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-B0688 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-D0021 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [0,2,0,0,0,0|1,0,0]=3 348 B10R1.13 Cc1ccc(C(C)C)cc1 CS-M3206 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS-W002389 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-0102805 [0,2,0,0,0,0|1,0,1]=4 351 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-W017476 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS-W019509 [0,2,0,0,0,0|1,0,1]=4 353 B10R1.13 N=C1C=CC(B(O)O)=CN1 CS-W005558 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [0,2,0,0,0,0|0,0,2]=4 355 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 CS-D1388 [0,2,0,0,0,0|0,1,1]=4 356 B10R1.13 NC1=CC=C(B(O)O)C=N1 CS-0095472 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.13 NC1=CN=C(C(F)F)C=C1 CS-W007162 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 CS-D1204 [0,2,0,0,0,0|1,0,1]=4 359 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS-W016216 [0,2,0,0,0,0|1,0,1]=4 360 B10R1.13 O=C1C=CC(B(O)O)=CN1 CS-W003943 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 CS-0055735 [0,2,0,0,0,0|1,0,1]=4 362 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS-D1133 [0,2,0,0,0,0|1,0,0]=3 363 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [0,2,0,0,0,0|0,0,0]=2 364 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [0,2,0,0,0,0|0,0,0]=2 365 B10R1.25 CC1=CC(Br)=CC=C1C=O CS-W007710 [0,2,0,0,0,0|0,0,2]=4 366 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 CS-W010930 [0,2,0,0,0,0|0,0,2]=4 367 B10R1.25 CC1=CC(Cl)=CC=C1C#N CS-W018108 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.25 CC1=CC(N)=C(C#N)C=C1 CS-W008109 [0,2,0,0,0,0|1,0,1]=4 369 B10R1.25 CC1=CC(O)=CC=C1C=O CS-W005254 [0,2,0,0,0,0|0,0,2]=4 370 B10R1.25 CC1=CC=C(C#N)C(Cl)=C1 CS-0059142 [0,2,0,0,0,0|1,0,1]=4 371 B10R1.25 CC1=CC=C(C#N)C(O)=C1 CS-W023066 [0,2,0,0,0,0|1,0,1]=4 372 B10R1.25 CC1=CC=C(NN)C(C)=C1 CS-W017569 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 CS-W006496 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.25 COC1=C(Br)C=C(O)C=C1 CS-W018919 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.25 COC1=C(N)C=C(Br)C=C1 CS-W007885 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.25 COC1=C(N)C=C(F)C=C1 CS-W008250 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.25 COC1=C(O)C=C(Br)C=C1 CS-W007658 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.25 COC1=CC=C(Br)C=C1I CS-0028792 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.25 COC1=CC=C(C)C=C1I CS-0067552 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.25 COC1=CC=C(I)C=C1Br CS-0097745 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.25 COC1=CC=C(N)C=C1C CS-W008093 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.25 ClCC1=CN=C(Cl)C=C1Cl CS-0096067 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.25 N#CC1=C(Br)C=C(Cl)C=C1 CS-W005332 [0,2,0,0,0,0|1,0,1]=4 384 B10R1.25 N#CC1=C(Cl)C=C(Cl)C=C1 CS-W017635 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.25 N#CC1=C(Cl)C=C(N)C=C1 CS-W016289 [0,2,0,0,0,0|1,0,1]=4 386 B10R1.25 N#CC1=C(F)C=C(I)C=C1 CS-W008356 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.25 N#CC1=C(F)C=C(N)C=C1 CS-W018702 [0,2,0,0,0,0|1,0,1]=4 388 B10R1.25 N#CC1=C(N)C=C(F)C=C1 CS-W019217 [0,2,0,0,0,0|1,0,1]=4 389 B10R1.25 N#CC1=C(O)C=C(F)C=C1 CS-0044038 [0,2,0,0,0,0|1,0,1]=4 390 B10R1.25 N#CC1=CC=C(Br)C=C1O CS-W008740 [0,2,0,0,0,0|1,0,1]=4 391 B10R1.25 N#CC1=CC=C(F)C=C1F CS-W016482 [0,2,0,0,0,0|1,0,1]=4 392 B10R1.25 N#CC1=CC=C(F)C=C1I CS-0041475 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.25 NC1=CC=C(C=O)C(N)=C1 CS-0039250 [0,2,0,0,0,0|0,0,2]=4 394 B10R1.25 NCC1=C(F)C=C(Br)C=C1 CS-W004742 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.25 NCC1=CC=C(Cl)C=C1F CS-0094798 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 CS-W014963 [0,2,0,0,0,0|2,0,0]=4 397 B10R1.25 NNC1=CC=C(Br)C=C1Br CS-0060332 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 CS-W005415 [0,2,0,0,0,0|0,0,2]=4 399 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 CS-W004748 [0,2,0,0,0,0|0,0,2]=4 400 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 CS-W007439 [0,2,0,0,0,0|0,0,2]=4 401 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 CS-W005222 [0,2,0,0,0,0|0,0,2]=4 402 B10R1.25 O=CC1=C(F)C=C(F)C=C1 CS-W007410 [0,2,0,0,0,0|0,0,2]=4 403 B10R1.25 O=CC1=CC=C(Br)C=C1I CS-0030462 [0,2,0,0,0,0|0,0,2]=4 404 B10R1.25 O=CC1=CC=C(O)C=C1Cl CS-B0153 [0,2,0,0,0,0|0,0,2]=4 405 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 CS-0043691 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.25 OCC1=C(Cl)C=C(Cl)N=C1 CS-0059176 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 CS-W017935 [0,2,0,0,0,0|0,0,0]=2 408 B10R1.25 OCC1=NC=C(F)C=C1F CS-0055645 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS-W018591 [0,2,0,0,0,0|0,0,2]=4 410 B10R1.176 CC1=C(C)C=C(C#N)C=C1 CS-W019474 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.176 CC1=C(N)C=C(C#N)C=C1 CS-W019309 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.176 CC1=CC=C(CN)C=C1C CS-0039163 [0,2,0,0,0,0|1,0,0]=3 413 B10R1.176 CC1=CC=C(CO)C=C1C CS-0044039 [0,2,0,0,0,0|0,0,0]=2 414 B10R1.176 CC1=CC=C(CO)C=C1I CS-0097443 [0,2,0,0,0,0|0,0,0]=2 415 B10R1.176 CC1=CN=C(CO)C=C1Br CS-0101450 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 CS-W007910 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.176 COC1=CC(Cl)=C(N)C=C1 CS-W004703 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.176 COC1=CC(O)=C(C)C=C1 CS-W005841 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.176 COC1=CC=C(Br)C(N)=C1 CS-W018520 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.176 COC1=CC=C(I)C(Br)=C1 CS-0028750 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.176 COC1=CC=C(N)C(O)=C1 CS-0041564 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.176 N#CC1=CC(Cl)=C(Cl)C=C1 CS-W008272 [0,2,0,0,0,0|1,0,1]=4 423 B10R1.176 N#CC1=CC(Cl)=C(F)C=C1 CS-W010922 [0,2,0,0,0,0|1,0,1]=4 424 B10R1.176 N#CC1=CC(N)=C(F)C=C1 CS-W017764 [0,2,0,0,0,0|1,0,1]=4 425 B10R1.176 N#CC1=CC(N)=C(O)C=C1 CS-W021560 [0,2,0,0,0,0|1,0,1]=4 426 B10R1.176 N#CC1=CC=C(Br)C(Br)=C1 CS-0103340 [0,2,0,0,0,0|1,0,1]=4 427 B10R1.176 N#CC1=CC=C(Br)C(Cl)=C1 CS-0097710 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.176 N#CC1=CC=C(Br)C(O)=C1 CS-W022102 [0,2,0,0,0,0|1,0,1]=4 429 B10R1.176 N#CC1=CC=C(Cl)C(Br)=C1 CS-0040337 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.176 N#CC1=CC=C(Cl)C(I)=C1 CS-0041322 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.176 N#CC1=CC=C(F)C(F)=C1 CS-W020712 [0,2,0,0,0,0|1,0,1]=4 432 B10R1.176 N#CC1=CC=C(I)C(Br)=C1 CS-0041081 [0,2,0,0,0,0|1,0,1]=4 433 B10R1.176 N#CC1=CC=C(I)C(F)=C1 CS-W016761 [0,2,0,0,0,0|1,0,1]=4 434 B10R1.176 NC1=CC(CO)=CC=C1Br CS-0103471 [0,2,0,0,0,0|0,0,0]=2 435 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 CS-W017422 [0,2,0,0,0,0|1,0,0]=3 436 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 CS-0062988 [0,2,0,0,0,0|1,0,0]=3 437 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 CS-W007483 [0,2,0,0,0,0|0,0,2]=4 438 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 CS-W005655 [0,2,0,0,0,0|0,0,2]=4 439 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 CS-W007504 [0,2,0,0,0,0|0,0,2]=4 440 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 CS-W007521 [0,2,0,0,0,0|0,0,2]=4 441 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS-W014392 [0,2,0,0,0,0|0,0,2]=4 442 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 CS-B1308 [0,2,0,0,0,0|0,0,2]=4 443 B10R1.176 O=CC1=CC=C(I)C(O)=C1 CS-0038831 [0,2,0,0,0,0|0,0,2]=4 444 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS-W006136 [0,2,0,0,0,0|0,0,0]=2 445 B10R1.176 OCC1=CC=C(Cl)C(F)=C1 CS-0097353 [0,2,0,0,0,0|0,0,0]=2 446 B10R1.2 CC1=C(Br)C(C=O)=CC=C1 CS-0031379 [0,2,0,0,0,0|0,0,2]=4 447 B10R1.2 CC1=C(C)C(C#N)=CC=C1 CS-W011100 [0,2,0,0,0,0|1,0,1]=4 448 B10R1.2 CC1=C(F)C(C#N)=CC=C1 CS-W003435 [0,2,0,0,0,0|1,0,1]=4 449 B10R1.2 CC1=C(F)C=CC=C1C#N CS-W019425 [0,2,0,0,0,0|1,0,1]=4 450 B10R1.2 CC1=C(N)C(CO)=CC=C1 CS-0098754 [0,2,0,0,0,0|0,0,0]=2 451 B10R1.2 CC1=C(O)C(C=O)=CC=C1 CS-W007934 [0,2,0,0,0,0|0,0,2]=4 452 B10R1.2 COC1=C(C)C(N)=CC=C1 CS-B0015 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.2 COC1=C(F)C(Br)=CC=C1 CS-W020551 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.2 COC1=C(N)C(Br)=CC=C1 CS-0033843 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.2 COC1=C(O)C(Br)=CC=C1 CS-0042751 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.2 COC1=CC=CC(F)=C1N CS-W005604 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.2 N#CC1=C(Cl)C(O)=CC=C1 CS-W021640 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.2 N#CC1=CC=CC(Cl)=C1O CS-0103460 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.2 N#CC1=CC=CC(F)=C1Cl CS-0067110 [0,2,0,0,0,0|1,0,1]=4 460 B10R1.2 N#CC1=CC=CC(F)=C1I CS-0041476 [0,2,0,0,0,0|1,0,1]=4 461 B10R1.2 NC1=C(C=O)C=CC=C1Br CS-W021547 [0,2,0,0,0,0|0,0,2]=4 462 B10R1.2 NNC1=CC=CC(Cl)=C1F CS-0063178 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.2 NNC1=CC=CC(F)=C1Cl CS-0097348 [0,2,0,0,0,0|2,0,0]=4 464 B10R1.2 O=CC1=C(Br)C(F)=CC=C1 CS-W004707 [0,2,0,0,0,0|0,0,2]=4 465 B10R1.2 O=CC1=C(Br)C(O)=CC=C1 CS-W004712 [0,2,0,0,0,0|0,0,2]=4 466 B10R1.2 O=CC1=C(O)C(O)=CC=C1 CS-W007479 [0,2,0,0,0,0|0,0,2]=4 467 B10R1.2 O=CC1=CC=CC(Br)=C1Cl CS-0094382 [0,2,0,0,0,0|0,0,2]=4 468 B10R1.2 O=CC1=CC=CC(Cl)=C1Cl CS-W018532 [0,2,0,0,0,0|0,0,2]=4 469 B10R1.2 O=CC1=CC=CC(O)=C1Cl CS-B0145 [0,2,0,0,0,0|0,0,2]=4 470 B10R1.8 COC1=CC(Br)=CC(Br)=C1 CS-W007953 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.8 COC1=CC(Br)=CC(F)=C1 CS-W013180 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.8 COC1=CC(Br)=CC(O)=C1 CS-0030499 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 CS-0020159 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.8 N#CC1=CC(Br)=CC(N)=C1 CS-W018633 [0,2,0,0,0,0|1,0,1]=4 475 B10R1.8 N#CC1=CC(Cl)=CC(Br)=C1 CS-W014832 [0,2,0,0,0,0|1,0,1]=4 476 B10R1.8 N#CC1=CC(Cl)=CC(F)=C1 CS-W010923 [0,2,0,0,0,0|1,0,1]=4 477 B10R1.8 N#CC1=CC(Cl)=CC(N)=C1 CS-W021837 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.8 N#CC1=CC(F)=CC(N)=C1 CS-W004933 [0,2,0,0,0,0|1,0,1]=4 479 B10R1.8 N#CC1=CC(O)=CC(Br)=C1 CS-0028805 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 CS-W006258 [0,2,0,0,0,0|0,0,2]=4 481 B10R1.8 O=CC1=CC(I)=CC(I)=C1 CS-0094271 [0,2,0,0,0,0|0,0,2]=4 482 B10R1.8 OCC1=CC(I)=CC(I)=C1 CS-0094257 [0,2,0,0,0,0|0,0,0]=2 483 B10R1.10 COCC1=CC(Cl)=NC=N1 CS-0045696 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.10 OCCC1=CC(F)=CC=C1 CS-W021390 [0,2,0,0,0,0|0,0,0]=2 485 B10R1.30 C(=O)C1=C(F)C=CC(Br)=C1 CS-M3077 [0,2,0,0,0,0|0,0,2]=4 486 B10R1.30 CC1=CC(C#N)=C(N)C=C1 CS-W011090 [0,2,0,0,0,0|1,0,1]=4 487 B10R1.30 CC1=CC=C(Br)C=C1C=O CS-W005240 [0,2,0,0,0,0|0,0,2]=4 488 B10R1.30 CC1=CC=C(Br)C=C1NN CS-0079905 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.30 CC1=CC=C(F)C=C1C=O CS-W011052 [0,2,0,0,0,0|0,0,2]=4 490 B10R1.30 CC1=CC=C(I)C=C1CO CS-0097689 [0,2,0,0,0,0|0,0,0]=2 491 B10R1.30 CC1=CC=C(N)C=C1C#N CS-W013407 [0,2,0,0,0,0|1,0,1]=4 492 B10R1.30 CC1=CC=C(O)C(C#N)=C1 CS-0100681 [0,2,0,0,0,0|1,0,1]=4 493 B10R1.30 CC1=NC(CO)=C(O)C=C1 CS-M1557 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.30 CCC1=CC(Br)=CC=C1F CS-W022093 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.30 CCC1=CC(Br)=CC=C1N CS-M2231 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.30 COC1=C(Br)C=CC(O)=C1 CS-W008128 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.30 COC1=C(C)C=CC(Br)=C1 CS-W008193 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 CS-W005884 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS-W016214 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.30 COC1=C(F)C=CC(N)=C1 CS-W005619 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.30 COC1=C(O)C=CC(N)=C1 CS-W008263 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.30 COC1=CC(Br)=CC=C1Br CS-0040073 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.30 COC1=CC(C)=CC=C1N CS-W021709 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.30 COC1=CC(C)=CC=C1O CS-W021711 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.30 COC1=CC(Cl)=CC=C1N CS-0042669 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.30 COC1=CC(Cl)=CC=C1O CS-0096842 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.30 COC1=CC(I)=CC=C1Cl CS-0041284 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.30 N#CC1=C(Cl)C=CC(N)=C1 CS-W019168 [0,2,0,0,0,0|1,0,1]=4 509 B10R1.30 N#CC1=CC(Br)=CC=C1F CS-D0996 [0,2,0,0,0,0|1,0,1]=4 510 B10R1.30 N#CC1=CC(Br)=CC=C1O CS-W007609 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.30 N#CC1=CC(F)=CC=C1Cl CS-0097804 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.30 N#CC1=CC(F)=CC=C1F CS-W016483 [0,2,0,0,0,0|1,0,1]=4 513 B10R1.30 N#CC1=CC(I)=CC=C1Br CS-W008126 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.30 N#CC1=CC(I)=CC=C1F CS-W010230 [0,2,0,0,0,0|1,0,1]=4 515 B10R1.30 N#CC1=CC(N)=CC=C1Br CS-W005217 [0,2,0,0,0,0|1,0,1]=4 516 B10R1.30 N#CC1=CC(N)=CC=C1F CS-W019977 [0,2,0,0,0,0|1,0,1]=4 517 B10R1.30 NC1=CC(CO)=C(F)C=C1 CS-W021111 [0,2,0,0,0,0|0,0,0]=2 518 B10R1.30 NC1=CC=C(Br)C=C1C=O CS-W008175 [0,2,0,0,0,0|0,0,2]=4 519 B10R1.30 NC1=CC=C(Cl)C=C1CO CS-W004968 [0,2,0,0,0,0|0,0,0]=2 520 B10R1.30 NC1=NC=C(Br)N=C1CO CS-0097642 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.30 NCC1=CC(Br)=CC=C1F CS-0035830 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.30 O=CC1=CC(Br)=CC=C1Br CS-W007607 [0,2,0,0,0,0|0,0,2]=4 523 B10R1.30 O=CC1=CC(Br)=CC=C1Cl CS-W019803 [0,2,0,0,0,0|0,0,2]=4 524 B10R1.30 O=CC1=CC(Cl)=CC=C1Cl CS-W017472 [0,2,0,0,0,0|0,0,2]=4 525 B10R1.30 O=CC1=CC(I)=CC=C1O CS-W005105 [0,2,0,0,0,0|0,0,2]=4 526 B10R1.30 O=CC1=CC(O)=CC=C1Cl CS-W006109 [0,2,0,0,0,0|0,0,2]=4 527 B10R1.30 O=CC1=CC(O)=CC=C1O CS-0017335 [0,2,0,0,0,0|0,0,2]=4 528 B10R1.30 OCC1=CC(Br)=CC=C1Br CS-0097437 [0,2,0,0,0,0|0,0,0]=2 529 B10R1.30 OCC1=CC(Br)=CC=C1Cl CS-W008496 [0,2,0,0,0,0|0,0,0]=2 530 B10R1.30 OCC1=CC(Br)=CC=C1I CS-0060203 [0,2,0,0,0,0|0,0,0]=2 531 B10R1.30 OCC1=CC(Br)=CC=C1O CS-W015481 [0,2,0,0,0,0|0,0,0]=2 532 B10R1.30 OCC1=CC(Cl)=CC=C1Br CS-0022371 [0,2,0,0,0,0|0,0,0]=2 533 B10R1.30 OCC1=CC(F)=CC=C1Br CS-W008302 [0,2,0,0,0,0|0,0,0]=2 534 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,2,0,0,0,0|0,0,2]=4 535 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS-W013353 [0,2,0,0,0,0|0,0,2]=4 536 B10R1.113 CC(=O)C1=CC=CC(F)=C1 CS-D1392 [0,2,0,0,0,0|0,0,2]=4 537 B10R1.113 CC(C)C1=CC(Br)=CC=C1 CS-W010514 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 CS-0089219 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.113 CC(N)C1=CC=CC(Br)=C1 CS-M2202 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS-W007381 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS-W021257 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.113 CN(C)C1=CC=CC(Br)=C1 CS-W008533 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.113 C[C@@H](N)C1=CC(Br)=CC=C1 CS-W008570 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 CS-0000296 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 CS-B0179 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 CS-B0172 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.113 FC(F)C1=CC=CC(Br)=N1 CS-0042749 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 CS-D1558 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.113 NC1=CC(C(F)F)=NC=C1 CS-0042624 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS-W018320 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.113 NC1=CN=CC(B(O)O)=C1 CS-0067147 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.113 O=C(O)C1=CC(F)=CN=C1 CS-W016443 [0,2,0,0,0,0|1,0,1]=4 553 B10R1.113 O=C(O)C1=CC(O)=CN=C1 CS-W009148 [0,2,0,0,0,0|1,0,1]=4 554 B10R1.113 O=C(O)C1=CC=CC(I)=C1 CS-W009273 [0,2,0,0,0,0|0,0,1]=3 555 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 CS-W020044 [0,2,0,0,0,0|1,0,1]=4 556 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS-W006791 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.113 O=N(=O)C1=CC=CC(F)=C1 CS-W018306 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 CS-D1048 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.113 OB(O)C1=CC(F)=CN=C1 CS-D0337 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.172 CNC1=NC=CC(CO)=N1 CS-0094529 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.172 COC1=CC(CO)=NC=C1 CS-0030488 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.172 COC1=CC=CC(C=O)=C1 CS-W007346 [0,2,0,0,0,0|0,0,2]=4 563 B10R1.172 COC1=CC=CC(CO)=N1 CS-W021123 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.172 N#CC1=CC(CO)=CC=C1 CS-W007707 [0,2,0,0,0,0|0,0,0]=2 565 B10R1.172 N#CC1=CC(NN)=CC=C1 CS-W005765 [0,2,0,0,0,0|1,0,1]=4 566 B10R1.172 N#CC1=NC(CO)=CC=C1 CS-0097820 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.172 NCC1=CC(CO)=CC=C1 CS-0094516 [0,2,0,0,0,0|0,0,0]=2 568 B10R1.172 OCC1=CC=CC(CO)=N1 CS-W018313 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [0,2,0,0,0,0|1,0,1]=4 571 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.15 NC(CO)C1=CC=CC=C1 CS-W005163 [0,2,0,0,0,0|0,0,0]=2 573 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [0,2,0,0,0,0|0,0,2]=4 574 B10R1.15 O=C(CBr)C1=CN=CC=C1 CS-W010052 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CS-W016497 [0,2,0,0,0,0|0,0,0]=2 576 B10R1.28 CC(C)(O)C1=NC=CC=C1 CS-W021455 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS-W017639 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.61 CC(=O)C1=CC=CC=C1F CS-W020096 [0,2,0,0,0,0|0,0,2]=4 579 B10R1.61 CC(=O)C1=CC=CC=C1N CS-D1191 [0,2,0,0,0,0|0,0,2]=4 580 B10R1.61 CC(C)C1=CC=CC=C1I CS-W021342 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.61 CC(C)C1=NC=CC=C1O CS-0038261 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.61 CC1=CC=CC=C1C(N)=S CS-W018110 [0,2,0,0,0,0|0,1,1]=4 583 B10R1.61 CC1=CC=CN=C1C(=O)O CS-0063141 [0,2,0,0,0,0|1,0,1]=4 584 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 CS-0000328 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.61 C[C@@H](O)C1=CC=CC=C1F CS-0085730 [0,2,0,0,0,0|0,0,0]=2 586 B10R1.61 C[C@H](N)C1=CC=CC=C1F CS-0031394 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.61 C[C@H](N)C1=CC=CC=C1F CS-D0618 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.61 C[C@H](O)C1=CC=CN=C1N CS-M0435 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.61 N=C(N)C1=CC=CC=C1F CS-0019235 [0,2,0,0,0,0|1,0,1]=4 590 B10R1.61 NC1=NC=CC=C1C(=O)O CS-W008765 [0,2,0,0,0,0|1,0,1]=4 591 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS-D0803 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.61 O=C(O)C1=CC=CC=C1Cl CS-B1789 [0,2,0,0,0,0|0,0,1]=3 593 B10R1.61 O=C(O)C1=CC=CC=C1I CS-D0909 [0,2,0,0,0,0|0,0,1]=3 594 B10R1.61 O=C(O)C1=CC=CNC1=O CS-W018547 [0,2,0,0,0,0|1,0,1]=4 595 B10R1.61 O=C(O)C1=CNC=CC1=O CS-W007951 [0,2,0,0,0,0|1,0,1]=4 596 B10R1.61 OB(O)C1=C(Br)N=CC=C1 CS-W015532 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.61 OB(O)C1=CC=CN=C1Cl CS-D1047 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.61 OB(O)C1=CC=CN=C1F CS-D1043 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.61 OB(O)C1=CC=NC=C1F CS-W007945 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.61 [C@@H](C)(O)C1=CC=CC=C1F CS-0044022 [0,2,0,0,0,0|0,0,0]=2 601 B10R1.61 [C@H](C)(N)C1=CC=CC=C1F CS-0043725 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.4 CNCC1=CC=CC=C1Br CS-0031414 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.4 CNCC1=CC=CC=C1C CS-0045339 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.4 CNCC1=CC=CC=C1F CS-W005782 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.4 ClC1=CC=CC=C1CCBr CS-0081877 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.4 N#CCC1=CC=CC=C1F CS-W013356 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.4 N#CCC1=CC=CC=C1N CS-W008009 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.4 N#CCC1=CC=CN=C1Cl CS-W020736 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.4 NCCC1=C(Cl)C=CC=C1 CS-W019353 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.4 NCCC1=CC=CC=C1Br CS-W013200 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.4 NOCC1=CC=CC=C1F CS-0098085 [0,2,0,0,0,0|0,0,0]=2 612 B10R1.4 OCCC1=CC=CC=C1Cl CS-W017988 [0,2,0,0,0,0|0,0,0]=2 613 B10R1.4 OCCC1=CC=CC=C1I CS-0045354 [0,2,0,0,0,0|0,0,0]=2 614 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [0,2,0,0,0,0|0,0,0]=2 616 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [0,2,0,0,0,0|1,0,0]=3 617 B10R1.17 N#CC#CC1=CC=CC=C1 CS-W013484 [0,2,0,0,0,0|1,0,1]=4 618 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [0,2,0,0,0,0|0,0,2]=4 619 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,2,0,0,0,0|0,0,1]=3 621 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,2,0,0,0,0|0,0,2]=4 622 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.18 S=C(Cl)OC1=CC=CC=C1 CS-W008892 [0,2,0,0,0,0|0,1,1]=4 624 B10R1.20 COC1=CC=CC=C1NN CS-W002166 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.20 COC1=NC=CC=C1CN CS-W021066 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.20 COC1=NC=CC=C1CO CS-0031357 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.20 N#CC1=CC=CC=C1C=O CS-W004147 [0,2,0,0,0,0|0,0,2]=4 628 B10R1.20 N#CC1=CC=CC=C1NN CS-W006296 [0,2,0,0,0,0|1,0,1]=4 629 B10R1.20 O=CC1=CC=CC=C1C=O CS-W013385 [0,2,0,0,0,0|0,0,2]=4 630 B10R1.20 OCC1=CC=CC=C1CO CS-0017881 [0,2,0,0,0,0|0,0,0]=2 631 B10R1.245 CC1=CC=CC(Br)=C1C#N CS-W018678 [0,2,0,0,0,0|1,0,1]=4 632 B10R1.245 CC1=CC=CC(C)=C1C#N CS-W011101 [0,2,0,0,0,0|1,0,1]=4 633 B10R1.245 CC1=CC=CC(C)=C1C=O CS-W007640 [0,2,0,0,0,0|0,0,2]=4 634 B10R1.245 CC1=CC=CC(C)=C1CO CS-0031344 [0,2,0,0,0,0|0,0,0]=2 635 B10R1.245 COC1=C(Br)C=CC=C1N CS-W006132 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.245 COC1=C(Cl)C=CC=C1Br CS-0059287 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.245 N#CC1=C(Br)C=CC=C1Br CS-0097910 [0,2,0,0,0,0|1,0,1]=4 638 B10R1.245 N#CC1=C(F)C=CC=C1Cl CS-W020582 [0,2,0,0,0,0|1,0,1]=4 639 B10R1.245 NC1=CC=CC(Br)=C1C=O CS-0042675 [0,2,0,0,0,0|0,0,2]=4 640 B10R1.245 NC1=CC=CC(F)=C1C=O CS-0038103 [0,2,0,0,0,0|0,0,2]=4 641 B10R1.245 NCC1=C(F)C=CC=C1F CS-W018259 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.245 NNC1=C(F)C=CC=C1Br CS-0105416 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.245 O=CC1=C(Br)C=CC=C1Br CS-M3139 [0,2,0,0,0,0|0,0,2]=4 644 B10R1.245 O=CC1=C(Cl)C=CC=C1F CS-W016193 [0,2,0,0,0,0|0,0,2]=4 645 B10R1.245 O=CC1=C(Cl)C=CC=C1O CS-W017992 [0,2,0,0,0,0|0,0,2]=4 646 B10R1.245 OCC1=C(Br)C=CC=C1Br CS-M3140 [0,2,0,0,0,0|0,0,0]=2 647 B10R1.245 OCC1=C(Br)C=CC=C1F CS-W006374 [0,2,0,0,0,0|0,0,0]=2 648 B10R1.245 OCC1=C(F)C=CC=C1F CS-W016397 [0,2,0,0,0,0|0,0,0]=2 649 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 CS-W013577 [0,1,0,1,0,0|0,0,0]=2 650 B10R2.6 [C@H]1(C2=CC=CC=C2)CO1 CS-W011206 [0,1,0,1,0,0|0,0,0]=2 651 B10R2.7 C1=CC2=C(C=C1)CNC2 CS-D1516 [0,1,0,1,0,0|1,0,0]=3 652 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [0,1,0,1,0,0|1,0,0]=3 653 B10R2.7 C1=CC2=C(C=N1)NCC2 CS-W021490 [0,1,0,1,0,0|2,0,0]=4 654 B10R2.7 C1=CC=C2NN=CC2=C1 CS-W008689 [0,1,0,1,0,0|1,0,1]=4 655 B10R2.7 C1=CC=C2OCOC2=C1 CS-W020572 [0,1,0,1,0,0|0,0,0]=2 656 B10R2.7 C1=CC=C2SC=CC2=C1 CS-D1193 [0,1,0,1,0,0|0,1,1]=4 657 B10R2.7 C1=CN=C2NCCC2=C1 CS-M0806 [0,1,0,1,0,0|2,0,0]=4 658 B6R1.2 CC1=CC=CS1 CS-W011331 [1,0,0,0,1,0|1,0,0]=3 659 B6R1.2 CC1=COC=N1 CS-0028372 [1,0,0,0,1,0|2,0,0]=4 660 B6R1.2 CN1C=CC=N1 CS-W023191 [1,0,0,0,1,0|2,0,0]=4 661 B6R1.2 OC1=CNN=C1 CS-0044103 [1,0,0,0,1,0|2,0,0]=4