0 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 19-3105 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 O=C(O)CNCC1=CC=CC=C1 04-444 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 O=C(O)CNCC1=CC=CC=C1 04-445 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.252 O=C(O)COCC1=CC=CC=C1 19-3104 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 OB(O)CCCC1=CC=CC=C1 08-3736 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.28 OCCOCC1=CC=CC=C1 19-1059 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BIO-344 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.45 O=C(O)COC(=O)C1=CC=CC=C1 19-1378 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 26-3817 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.348 C=C(Br)CN(C)CC1=CC=CC=C1 08-5822 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 04-1790 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 04-1791 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 09-1303 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 26-3880 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.718 COC(=O)CNCC1=CC=CC=C1 04-446 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.3523 F[B-](F)(F)CCCC1=CC=CC=C1 08-3789 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)O1 CS-881 [0,0,0,1,0,0|0,0,0]=1 17 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 08-4902 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 08-10112 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.91 CC(=O)OCC1=CC=CC=C1 026226S [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 C[C@H](O)COC1=CC=CC=C1 CS-872 [0,0,0,0,1,0|2,0,1]=4 21 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-854 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.91 NC(=O)CSC1=CC=CC=C1 08-9475 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.91 O=C(Cl)COC1=CC=CC=C1 CS-857 [0,0,0,0,1,0|2,0,0]=3 24 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-893 [0,0,0,0,1,0|0,0,2]=3 25 B11R1.91 O=C(O)CCC1=CC=CC=C1 026474 [0,0,0,0,1,0|0,0,0]=1 26 B11R1.91 O=C(O)CCC1=CC=NC=C1 08-10158 [0,0,0,0,1,0|1,0,0]=2 27 B11R1.91 O=C(O)CNC1=CCC=CC1 04-1107 [0,0,0,0,1,0|1,0,2]=4 28 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-855 [0,0,0,0,1,0|1,0,0]=2 29 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 026024 [0,0,0,0,1,0|0,0,2]=3 30 B11R1.91 OB(O)CCC1=CC=CC=C1 08-1233 [0,0,0,0,1,0|1,0,1]=3 31 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 025139S [0,0,0,0,0,1|1,0,2]=4 32 B13R1.337 O=C(O)CCSSC1=NC=CC=C1 BIO-343 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.17 FCCCC1=CC=CC=C1 26-1053 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.17 N#CCCC1=CC=CC=C1 CS-895 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 O=C\C=C\C1=CC=CC=C1 026023 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.17 O=C\C=C\C1=CC=CC=C1 06-398 [2,0,0,0,0,0|0,0,2]=4 37 B10R1.17 OCCCC1=CC=CC=C1 CS-892 [2,0,0,0,0,0|0,0,0]=2 38 B10R1.17 OCCCC1=NC=CC=C1 08-7929 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.17 OC\C=C\C1=CC=CC=C1 026025 [2,0,0,0,0,0|0,0,2]=4 40 B12R1.1 CCCCCC1=CC=C(Br)C=C1 08-1754 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.1 CCCCCC1=CC=C(F)C=C1 09-653 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.8 O=CCCOCC1=CC=CC=C1 08-4891 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 028825 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 09-673 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 CS-736 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 026133 [0,1,0,0,1,0|0,0,2]=4 47 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 CS-606 [0,1,0,0,1,0|1,0,0]=3 48 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 26-883 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 09-668 [0,1,0,0,1,0|0,0,0]=2 50 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 01-952 [0,1,0,0,1,0|0,0,0]=2 51 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 21-519 [0,1,0,0,1,0|1,0,0]=3 52 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 19-2793 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 09-670 [0,1,0,0,1,0|1,0,0]=3 54 B12R1.21 O=C(O)\C=C/C1=CC=C(F)C=C1 09-3499 [0,1,0,0,1,0|0,0,2]=4 55 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS-189 [0,1,0,0,1,0|0,0,2]=4 56 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 06-008 [0,1,0,0,1,0|0,0,2]=4 57 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 19-825 [0,1,0,0,1,0|0,0,2]=4 58 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 04-2243 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19-2524 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 025872 [0,1,0,0,1,0|0,0,0]=2 61 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2812 [0,1,0,0,1,0|0,0,0]=2 62 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 19-2813 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 08-4991 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 BIO-683 [0,1,0,0,1,0|0,0,1]=3 65 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 08-9506 [0,1,0,0,1,0|0,0,0]=2 66 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 26-1035 [0,1,0,0,1,0|0,0,0]=2 67 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 08-6934 [0,1,0,0,1,0|0,0,2]=4 68 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS-187 [0,1,0,0,1,0|0,0,2]=4 69 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 09-3497 [0,1,0,0,1,0|0,0,2]=4 70 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 026029 [0,1,0,0,1,0|0,0,2]=4 71 B12R1.226 NC1=NC=CC(CCC(=O)O)=C1 08-10573 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 26-1036 [0,1,0,0,1,0|0,0,0]=2 73 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 026030 [0,1,0,0,1,0|0,0,2]=4 74 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 CS-188 [0,1,0,0,1,0|0,0,2]=4 75 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 26-3632 [0,1,0,0,1,0|0,0,2]=4 76 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 26-3863 [0,1,0,0,0,1|0,0,0]=2 77 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 CS-897 [0,1,0,0,0,1|1,0,0]=3 78 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 CS-869 [0,1,0,0,0,1|2,0,0]=4 79 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 04-466 [0,1,0,0,0,1|0,0,0]=2 80 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 04-467 [0,1,0,0,0,1|0,0,0]=2 81 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 04-468 [0,1,0,0,0,1|0,0,0]=2 82 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O 04-434 [0,1,0,0,0,1|0,0,0]=2 83 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O 04-435 [0,1,0,0,0,1|0,0,0]=2 84 B14R1.160 O=C(O)COC(=O)C1=C(O)C=CC=C1 19-2292 [0,2,0,0,0,0|1,0,1]=4 85 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 19-398 [0,2,0,0,0,0|0,0,1]=3 86 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 04-403 [0,2,0,0,0,0|1,0,1]=4 87 B14R1.415 C[C@H](OC(=O)C1=CC=CC=C1)C(=O)O 19-1377 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 25-092 [0,2,0,0,0,0|0,0,1]=3 89 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 09-1153 [0,2,0,0,0,0|0,0,1]=3 90 B14R1.678 O=C(O)COC(=O)C1=CC=C(O)C=C1 19-2293 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.687 CC(=O)OCCC1=CC(O)=C(O)C=C1 06-699 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.698 C[C@@H](CC(=O)O)SC1=CC=C(F)C=C1 26-3877 [0,2,0,0,0,0|1,0,0]=3 93 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 04-430 [0,2,0,0,0,0|1,0,0]=3 94 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 19-2282 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 04-1809 [0,2,0,0,0,0|1,0,0]=3 96 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 08-5620 [1,0,0,1,0,0|0,0,1]=3 97 B12R2.27 N#CC1CC1C2=CC=CC=C2 08-10102 [1,0,0,1,0,0|1,0,1]=4 98 B12R2.1081 O=C1CCCC2=C1C=CC=N2 08-5114 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.1081 O=C1CCCC2=CC=CN=C12 08-10327 [1,0,0,1,0,0|1,0,0]=3 100 B12R2.1081 O=C1CCOC2=C1C=CC=C2 17-076 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.1081 O=C1COCC2=C1C=CC=C2 08-3230 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 08-10328 [1,0,0,1,0,0|1,0,1]=4 103 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 020507S [0,0,0,1,1,0|0,0,2]=4 104 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C-106 [0,0,0,1,1,0|0,0,2]=4 105 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D-107 [0,0,0,1,1,0|0,0,0]=2 106 B12R2.24 O=C1CCC2=CC=CN=C2N1 08-5117 [0,0,0,1,1,0|2,0,0]=4 107 B12R2.24 O=C1COC2=C(C=CC=C2)N1 17-017 [0,0,0,1,1,0|2,0,0]=4 108 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 19-600 [0,0,0,1,1,0|2,0,0]=4 109 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 BIO-219 [0,0,0,1,0,1|0,0,2]=4 110 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 04-460 [0,0,0,1,0,1|1,0,0]=3 111 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 04-461 [0,0,0,1,0,1|1,0,0]=3 112 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 08-9554 [0,0,0,1,0,1|1,0,0]=3 113 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 25-089 [0,1,0,1,0,0|1,0,1]=4 114 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 04-2477 [0,1,0,1,0,0|1,0,0]=3 115 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 19-2553 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 19-2555 [0,1,0,1,0,0|1,0,0]=3