0 B10R1.17 FCCCC1=CC=CC=C1 26-1053 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 N#CCCC1=CC=CC=C1 CS-895 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.17 O=C\C=C\C1=CC=CC=C1 026023 [0,0,0,0,0,0|0,0,4]=4 3 B10R1.17 O=C\C=C\C1=CC=CC=C1 06-398 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.17 OCCCC1=CC=CC=C1 CS-892 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.17 OCCCC1=NC=CC=C1 08-7929 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 OC\C=C\C1=CC=CC=C1 026025 [0,0,0,0,0,0|0,0,2]=2 7 B9R1.8 CCCC1=NC=CN=C1 CS-905 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 C\N=N\C1=CC=CC=C1 BIO-996 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 ClCCC1=CC=CC=C1 06-1703 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 NNCC1=CC=CC=C1 08-3921 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 NNCC1=CC=CN=C1 08-10226 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 NNCC1=CC=CN=C1 08-5284 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 NNCC1=CC=NC=C1 08-5283 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 NNCC1=NC=CC=C1 08-10225 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 NNCC1=NC=CC=C1 08-5285 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 NOCC1=CC=CC=C1 04-449 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 OCCC1=CC=CC=C1 026140S [1,0,0,0,0,0|0,0,0]=1 18 B9R1.8 O\N=C\C1=NC=CC=C1 08-9947 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 S=C=NC1=CC=CC=C1 BIO-477 [1,0,0,0,0,0|1,1,1]=4 20 B11R1.1 C=CCCC1=CC=C(F)C=C1 27-147 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.1 FC1=CC=C(CN=C=S)C=C1 26-876 [0,1,0,0,0,0|1,1,1]=4 22 B11R1.1 N#CCCC1=CC=C(O)C=C1 CS-609 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.16 CCOC(=O)C1=CC=CC=C1 026005S [0,1,0,0,0,0|2,0,1]=4 24 B11R1.17 FC1=C(CN=C=S)C=CC=C1 26-874 [0,1,0,0,0,0|1,1,1]=4 25 B11R1.24 CC1=CC=CC(OCCBr)=C1 26-4753 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.24 CCNCC1=CC(Br)=CN=C1 08-10220 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.24 FC1=CC=CC(CN=C=S)=C1 26-875 [0,1,0,0,0,0|1,1,1]=4 28 B11R1.24 OCCCC1=CC=CC(F)=N1 06-1043 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.28 OCCOCC1=CC=CC=C1 19-1059 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 04-2269 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 19-2866 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.91 CC(=O)OCC1=CC=CC=C1 026226S [0,1,0,0,0,0|1,0,2]=4 33 B11R1.91 C[C@H](O)COC1=CC=CC=C1 CS-872 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-854 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.91 NC(=O)CSC1=CC=CC=C1 08-9475 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.91 O=C(Cl)COC1=CC=CC=C1 CS-857 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-893 [0,1,0,0,0,0|0,0,3]=4 38 B11R1.91 O=C(O)CCC1=CC=CC=C1 026474 [0,1,0,0,0,0|0,0,1]=2 39 B11R1.91 O=C(O)CCC1=CC=NC=C1 08-10158 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-855 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 026024 [0,1,0,0,0,0|0,0,3]=4 42 B11R1.91 OB(O)CCC1=CC=CC=C1 08-1233 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 08-2486 [0,1,0,0,0,0|1,0,2]=4 44 B11R2.1 O=C1CCC2=C1C=CC=N2 08-3134 [0,0,0,1,0,0|1,0,2]=4 45 B11R2.1 OB1OCC2=C1C=CC=C2 08-2240 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.1 ON1N=NC2=C1C=CC=C2 04-1794W [0,0,0,1,0,0|3,0,0]=4 47 B8R1.2 NNC1=CC=CC=C1 06-1369 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 O=CC1=CC=CC=C1 026013S [2,0,0,0,0,0|0,0,2]=4 49 B8R1.2 OCC1=CC=CC=C1 026177S [2,0,0,0,0,0|0,0,0]=2 50 B8R1.2 OCC1=CN=CC=C1 08-9954 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.2 OCC1=CN=CN=C1 08-4509 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 OCC1=NC=CC=N1 08-5552 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 OCC1=NC=CN=C1 08-7857 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 OCC1=NC=NC=C1 08-5557 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.1 CCOC1=CC=C(F)C=C1 21-135 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.1 CCOC1=CC=C(O)C=C1 020422 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.1 FC1=CC=C(CCCl)C=C1 26-382 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS-159 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.1 N#CCC1=CC=C(F)C=C1 21-142 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.1 NC1=CC=C(CCO)C=C1 06-010 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.1 NCCC1=CC=C(O)C=C1 025567 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.1 NCCC1=NC=C(Br)C=C1 08-6210 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.1 NNCC1=CC=C(Br)C=C1 08-4971 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.1 NNCC1=CC=C(Cl)C=C1 08-5002 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.1 NNCC1=CC=C(F)C=C1 08-5239 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 NNCC1=CC=C(F)C=C1 20-2103 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.1 NOCC1=CC=C(Cl)C=C1 08-10147 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.1 NOCC1=CC=C(F)C=C1 26-3554 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.1 OC1=CC=C(CCBr)C=C1 08-10497 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.1 OCCC1=CC=C(F)C=C1 09-1294 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.1 OCCC1=CC=C(O)C=C1 024834 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.1 OCCC1=NC=C(Br)C=C1 08-6714 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.4 CCOC1=C(F)C=CC=C1 21-134 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.4 CCOC1=NC=CC=C1O 08-6012 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.4 FC1=C(C[Zn]Cl)C=CC=C1 26-3568 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.4 N#CCC1=C(F)C=CC=C1 21-141 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.4 NNCC1=C(Br)C=CC=C1 08-6682 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 NNCC1=C(F)C=CC=C1 08-7376 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.4 NOCC1=C(F)C=CC=C1 26-3552 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.4 OCCC1=C(F)C=CC=C1 09-1293 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.10 CC1=CC=CC(CCN)=C1 08-10151 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.10 CCOC1=CC(O)=CC=C1 CS-515 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.10 CCSC1=CC=CC(Br)=C1 08-1654 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.10 CSCC1=CC(N)=NC=C1 08-10388 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 FC1=CC=CC(C[Zn]Cl)=C1 26-3569 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.10 N#CCC1=CC=CC(F)=C1 21-521 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.10 NNCC1=CC=CC(F)=C1 08-5240 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.10 NOCC1=CC=CC(F)=C1 26-3553 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.15 CCC(=O)C1=CC=CC=C1 CS-712 [1,1,0,0,0,0|0,0,1]=3 90 B10R1.15 COC(=O)C1=CC=CC=C1 026182S [1,1,0,0,0,0|1,0,1]=4 91 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 CS-894 [1,1,0,0,0,0|0,0,2]=4 92 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CS-890 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.15 O=C(CF)C1=CC=CC=C1 21-482 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.15 O=C(CO)C1=CC=CC=C1 CS-546 [1,1,0,0,0,0|0,0,1]=3 95 B10R1.18 FC(F)OC1=CC=CC=C1 26-669 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.21 NCCSCC1=CC=CO1 08-1423 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.27 N[C@H](CO)CC1=CNC=N1 BIO-614 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.1 CCCCCC1=CC=C(Br)C=C1 08-1754 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.1 CCCCCC1=CC=C(F)C=C1 09-653 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 06-028 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 06-1237 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 09-3246 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 028825 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 06-688 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 06-689 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 CS-606 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 09-668 [0,2,0,0,0,0|0,0,1]=3 108 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 01-952 [0,2,0,0,0,0|0,0,1]=3 109 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 21-519 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 19-2793 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 09-670 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.49 NC1=CC=C(OC(=O)CO)C=C1 19-944 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 04-2638 [0,2,0,0,0,0|0,0,0]=2 114 B12R1.49 O=C(CO)NC1=CC=C(O)C=C1 19-2792 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.71 COC1=CC=C(CCC#N)C=C1 CS-706 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.385 CC1=C(Br)C=C(SCCO)C=C1 08-10483 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 26-1035 [0,2,0,0,0,0|0,0,1]=3 118 B12R1.226 NC1=NC=CC(CCC(=O)O)=C1 08-10573 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 26-1036 [0,2,0,0,0,0|0,0,1]=3 120 B12R1.8 O=CCCOCC1=CC=CC=C1 08-4891 [0,2,0,0,0,0|0,0,1]=3 121 B12R1.27 COC(=O)CNC1=CC=CC=C1 04-2314 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.27 NCC(=O)OCC1=CC=CC=C1 04-1584 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 19-1325 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CS-887 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 19-3105 [0,2,0,0,0,0|0,0,2]=4 126 B12R1.252 O=C(O)CNCC1=CC=CC=C1 04-444 [0,2,0,0,0,0|0,0,1]=3 127 B12R1.252 O=C(O)CNCC1=CC=CC=C1 04-445 [0,2,0,0,0,0|0,0,1]=3 128 B12R1.252 O=C(O)COCC1=CC=CC=C1 19-3104 [0,2,0,0,0,0|0,0,1]=3 129 B12R1.252 OB(O)CCCC1=CC=CC=C1 08-3736 [0,2,0,0,0,0|0,0,0]=2 130 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 04-2243 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19-2524 [0,2,0,0,0,0|0,0,2]=4 132 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 025872 [0,2,0,0,0,0|0,0,1]=3 133 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2812 [0,2,0,0,0,0|0,0,1]=3 134 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2813 [0,2,0,0,0,0|0,0,1]=3 135 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 08-4991 [0,2,0,0,0,0|0,0,2]=4 136 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 BIO-683 [0,2,0,0,0,0|0,0,2]=4 137 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 08-9506 [0,2,0,0,0,0|0,0,1]=3 138 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 09-2206 [0,2,0,0,0,0|1,0,0]=3 139 B10R2.7 C1=CC2=C(C=N1)CNC2 08-2067 [1,0,0,1,0,0|2,0,0]=4 140 B10R2.7 C1=CN=C2NCCC2=C1 08-5088 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 08-6815 [0,1,0,1,0,0|1,0,0]=3 142 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 08-2985 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D-107 [0,1,0,1,0,0|0,0,1]=3 144 B12R2.24 O=C1COC2=C(C=CC=C2)N1 17-017 [0,1,0,1,0,0|1,0,1]=4 145 B12R2.132 NC1=CC2=C(C=C1)CCC2=O 08-1443 [0,1,0,1,0,0|0,0,2]=4 146 B12R2.132 NC1=CC2=C(C=C1)COB2O 08-2822 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 08-6881 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 08-5620 [0,1,0,1,0,0|0,0,0]=2 149 B12R2.2 C1=CN=CC(C2=NCCC2)=C1 020607 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 021518 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.27 N#CC1CC1C2=CC=CC=C2 08-10102 [0,1,0,1,0,0|1,0,0]=3 152 B12R2.116 NC1(C2=CC=CC=C2)COC1 08-7900 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.116 OC1(C2=CC=CC=C2)COC1 08-5615 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.1081 BrC1=C2CCCCC2=CC=C1 08-1795 [0,1,0,1,0,0|1,0,0]=3 155 B12R2.1081 BrC1=C2NCCCC2=CN=C1 08-6808 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.1081 FC1=C2CCCNC2=CC=C1 08-3186 [0,1,0,1,0,0|1,0,0]=3 157 B12R2.1081 NC1=CC=CC2=C1OCCO2 08-2058 [0,1,0,1,0,0|1,0,0]=3 158 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 08-2063 [0,1,0,1,0,0|1,0,0]=3 159 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 19-2808 [0,1,0,1,0,0|1,0,0]=3 160 B12R2.1081 O=C1CCCC2=C1C=CC=N2 08-5114 [0,1,0,1,0,0|1,0,1]=4 161 B12R2.1081 O=C1CCCC2=CC=CN=C12 08-10327 [0,1,0,1,0,0|1,0,1]=4 162 B12R2.1081 O=C1CCOC2=C1C=CC=C2 17-076 [0,1,0,1,0,0|0,0,1]=3 163 B12R2.1081 O=C1COCC2=C1C=CC=C2 08-3230 [0,1,0,1,0,0|0,0,2]=4 164 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 08-10328 [0,1,0,1,0,0|1,0,0]=3 165 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 08-5335 [0,1,0,1,0,0|0,0,2]=4 166 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 08-5048 [0,1,0,1,0,0|0,0,2]=4 167 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 09-1210 [0,1,0,1,0,0|0,0,2]=4 168 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 08-9957 [0,1,0,1,0,0|0,0,2]=4 169 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 08-6840 [0,1,0,1,0,0|2,0,0]=4 170 B12R2.1 OCC1=CNC2=C1C=CC=C2 08-7485 [0,1,0,1,0,0|0,0,2]=4 171 B12R2.1 OCC1=NNC2=C1C=CC=C2 08-7447 [0,1,0,1,0,0|1,0,1]=4