0 B13R1.14 CC(CO)CNc1ncc(cn1)Cl CSC012597793 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.14 CCC(C)NCc1ccc(cc1)Cl CSC000180880 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.14 CNC(=O)COc1ccc(cc1)Cl CSC000150441 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.14 COC(=O)COc1ccc(cc1)Cl CSC000148943 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [1,0,0,0,0,0|1,1,0]=3 5 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [1,0,0,0,0,0|1,1,0]=3 8 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [1,0,0,0,0,0|2,1,0]=4 9 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.1 COCCSc1ccc(cc1)Cl CSC000022191 [1,0,0,0,0,0|2,1,0]=4 11 B12R1.1 Cc1ccc(cc1)CSCCO CSC011212911 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.1 Cc1ccc(cc1)SCCCO CSC000213565 [1,0,0,0,0,0|1,1,0]=3 13 B12R1.1 Clc1ccc(cc1)SCCC#N CSC000172061 [1,0,0,0,0,0|1,1,1]=4 14 B12R1.1 OCCCSc1ccc(cc1)Br CSC000213788 [1,0,0,0,0,0|0,2,0]=3 15 B12R1.1 OCCCSc1ccc(cc1)Cl CSC000212878 [1,0,0,0,0,0|0,1,0]=2 16 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [1,0,0,0,0,0|2,1,0]=4 17 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [1,0,0,0,0,0|2,1,0]=4 18 B12R1.1 OCCNCc1ccc(cc1)Cl CSC000180886 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.1 OCCNCc1ccc(cc1)F CSC000180845 [1,0,0,0,0,0|2,1,0]=4 20 B12R1.1 OCCSCc1ccc(cc1)Br CSC011212529 [1,0,0,0,0,0|2,1,0]=4 21 B12R1.1 OCCSCc1ccc(cc1)Cl CSC000186141 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.1 OCCSCc1ccc(cc1)F CSC011212906 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.1 OCCSCc1ccc(cc1)I CSC000238427 [1,0,0,0,0,0|2,1,0]=4 24 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [1,0,0,0,0,0|0,0,2]=3 25 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [1,0,0,0,0,0|0,1,2]=4 26 B12R1.21 CC(C)COc1ccc(cc1)Br CSC000169949 [1,0,0,0,0,0|1,1,0]=3 27 B12R1.21 CC(C)NCc1ccc(cc1)Cl CSC000195761 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.21 CC(O)CSc1ccc(cc1)Cl CSC011366763 [1,0,0,0,0,0|0,1,0]=2 29 B12R1.21 NC(=O)COc1ccc(cc1)Cl CSC000150449 [1,0,0,0,0,0|1,0,2]=4 30 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [1,0,0,0,0,0|0,1,2]=4 31 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [1,0,0,0,0,0|0,1,0]=2 33 B14R1.10 CN(C[C@H](O)CO)c1ncc(cn1)Cl CSC058716786 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.293 CC(C)(CO)NCc1ccc(cc1)Cl CSC000188752 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl CSC000170970 [0,1,0,0,0,0|1,0,2]=4 36 B14R1.529 CCC(CO)NCc1ccc(cc1)Cl CSC000186812 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.529 CC[C@H](CO)NCc1ccc(cc1)Cl CSC013037587 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.49 CCC(=O)Oc1ccc(cc1)Cl CSC000001868 [0,0,0,0,1,0|1,0,2]=4 39 B14R1.13 OCC(O)CSCc1ccc(cc1)F CSC012622934 [0,0,0,0,0,1|0,2,0]=3 40 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [2,0,0,0,0,0|0,1,0]=3 41 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [2,0,0,0,0,0|0,2,0]=4 43 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [2,0,0,0,0,0|1,1,0]=4 44 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [2,0,0,0,0,0|0,1,0]=3 45 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [2,0,0,0,0,0|0,2,0]=4 46 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [2,0,0,0,0,0|1,1,0]=4 50 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [2,0,0,0,0,0|1,1,0]=4 52 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [2,0,0,0,0,0|0,1,0]=3 53 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [2,0,0,0,0,0|0,0,0]=2 54 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [2,0,0,0,0,0|0,1,0]=3 55 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [2,0,0,0,0,0|0,1,0]=3 56 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [2,0,0,0,0,0|0,1,0]=3 57 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [2,0,0,0,0,0|0,2,0]=4 58 B11R1.1 OCCSc1ccc(cn1)Cl CSC011219778 [2,0,0,0,0,0|1,1,0]=4 59 B11R1.28 CCCCNc1ccccc1 CSC000211623 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.28 CCCCOc1ccccc1 CSC011212283 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.28 COCCOc1ccccc1 CSC000757042 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.28 CSCCOc1ccccc1 CSC000148400 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.28 OCCCOc1ccccc1 CSC011215863 [2,0,0,0,0,0|0,0,0]=2 64 B11R1.28 OCCNCc1ccccc1 CSC000180844 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.28 OCCSCc1ccccc1 CSC011205989 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [2,0,0,0,0,0|1,0,1]=4 67 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [2,0,0,0,0,0|1,0,0]=3 68 B13R1.9 CCCCNCc1ccc(cc1)Cl CSC000196030 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.9 CCOCCOc1ccc(cc1)Br CSC000169944 [1,1,0,0,0,0|1,1,0]=4 70 B13R1.9 CNCCCOc1ccc(cc1)Br CSC011252684 [1,1,0,0,0,0|1,1,0]=4 71 B13R1.9 COCCNCc1ccc(cc1)Cl CSC000195703 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.9 Cc1ccc(cc1)CNCCCO CSC000180846 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.9 Cc1ccc(cc1)SCCCCO CSC011305944 [1,1,0,0,0,0|1,1,0]=4 74 B13R1.9 OCCCCSc1ccc(cc1)Br CSC011305925 [1,1,0,0,0,0|0,2,0]=4 75 B13R1.9 OCCCCSc1ccc(cc1)Cl CSC011305936 [1,1,0,0,0,0|0,1,0]=3 76 B13R1.9 OCCCCSc1ccc(cc1)O CSC011400793 [1,1,0,0,0,0|1,1,0]=4 77 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [1,1,0,0,0,0|1,1,0]=4 78 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [1,1,0,0,0,0|1,1,0]=4 79 B13R1.9 OCCCNCc1ccc(cc1)Cl CSC000186999 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.9 OCCCNCc1ccc(cc1)F CSC000180847 [1,1,0,0,0,0|1,1,0]=4 81 B13R1.19 CCCC(=O)Oc1ccc(cc1)Cl CSC000001866 [1,1,0,0,0,0|1,0,1]=4 82 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl CSC000224337 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.369 CCCCOc1ccc(cc1Br)F CSC000205391 [1,1,0,0,0,0|1,1,0]=4 84 B13R1.369 CCCCOc1ccc(cc1F)Br CSC000230658 [1,1,0,0,0,0|1,1,0]=4 85 B13R1.369 OCCCOc1ccc(cc1Br)F CSC000193650 [1,1,0,0,0,0|0,1,0]=3 86 B13R1.369 OCCNCc1ccc(cc1Cl)Cl CSC000186993 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.369 OCCNCc1ccc(cc1Cl)Cl CSC000186993 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.369 OCCSCc1ccc(cc1Cl)Cl CSC011212905 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.371 CCCCOc1ccc(cc1)C#N CSC000188571 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.371 CCCCOc1ccc(cc1)CN CSC000185561 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.371 CCCCOc1ccc(cc1)CO CSC011205736 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.371 CCCCOc1ccc(cc1)SC CSC000030525 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.371 COc1ccc(cc1)SCCCO CSC000214580 [1,1,0,0,0,0|1,1,0]=4 94 B13R1.513 CC(O)CNCc1ccc(cc1)Cl CSC000186849 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.3 CC(C)COc1ccc(cc1)C#N CSC000170015 [1,1,0,0,0,0|2,0,0]=4 96 B13R1.3 CC(C)COc1ccc(cc1)CN CSC000185590 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.3 CSc1ccc(cc1)OCC(C)C CSC000018388 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl CSC000150674 [1,1,0,0,0,0|0,0,2]=4 99 B13R1.164 CC(C)COc1ccc(cc1Br)F CSC000171699 [1,1,0,0,0,0|1,1,0]=4 100 B13R1.164 CC(C)COc1ccc(cc1F)Br CSC000171755 [1,1,0,0,0,0|1,1,0]=4 101 B13R1.164 OC(=O)COc1ccc(cc1Cl)Cl CSC000180860 [1,1,0,0,0,0|0,0,2]=4 102 B13R1.15 OCC(O)CSc1cccc(c1)Cl CSC012650634 [1,1,0,0,0,0|0,1,0]=3 103 B13R1.42 CCCC(O)CSc1ccccc1 CSC012179918 [1,1,0,0,0,0|1,1,0]=4 104 B13R1.528 OCC(O)CSc1ncccc1Br CSC012622737 [1,1,0,0,0,0|1,1,0]=4 105 B15R1.3836 OCC(O)CSCc1ccc(cc1Cl)Cl CSC012622954 [0,1,0,0,0,1|0,1,0]=3 106 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)Cl CSC012622859 [0,1,0,0,0,1|0,1,0]=3 107 B15R1.205 CC(C)C(O)COc1ccc(cc1)C#N CSC014596764 [0,2,0,0,0,0|2,0,0]=4 108 B15R1.46 OCC(CO)NC(=O)c1ccc(cc1)Cl CSC012257889 [0,2,0,0,0,0|2,0,0]=4 109 B15R1.979 OCC(O)CS(=O)(=O)c1ccc(cc1)Br CSC027669900 [0,2,0,0,0,0|0,2,0]=4 110 B15R1.139 OCCNC(=O)COc1ccc(cc1)Cl CSC000158938 [0,2,0,0,0,0|0,0,2]=4 111 B13R2.527 Clc1ccc(cc1)NCC2CC2 CSC011316285 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.527 Fc1ccc(cc1)OCC2CC2 CSC012146133 [1,0,0,1,0,0|1,1,0]=4 113 B15R2.98 OC1CCN(C1)Cc2ccc(cc2)Cl CSC011773503 [0,0,0,1,0,1|2,0,0]=4 114 B15R2.98 O[C@@H]1CCN(C1)Cc2ccc(cc2)Cl CSC011852011 [0,0,0,1,0,1|2,0,0]=4 115 B15R2.98 O[C@H]1CCN(C1)Cc2ccc(cc2)Cl CSC011851964 [0,0,0,1,0,1|2,0,0]=4 116 B15R2.1510 O[C@H]1COC[C@@H]1Nc2ccc(cn2)Cl [0,1,0,1,0,0|2,0,0]=4 117 B15R2.100 Brc1ccc(cc1)OCC2OCCO2 CSC010169790 [0,1,0,1,0,0|1,1,0]=4 118 B15R2.100 Cc1ccc(cc1)OCC2OCCO2 CSC000084057 [0,1,0,1,0,0|2,0,0]=4 119 B15R2.100 Fc1ccc(cc1)OCC2OCCO2 CSC000084060 [0,1,0,1,0,0|1,1,0]=4 120 B11R1.20 CC(=O)Oc1ccc(cc1)Cl CSC000001863 [1,0,0,0,1,0|0,0,2]=4 121 B11R1.20 CC(C)Sc1ccc(cc1)Cl CSC000005997 [1,0,0,0,1,0|1,1,0]=4 122 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [1,0,0,0,0,1|2,0,0]=4 123 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [1,0,0,0,0,1|1,0,0]=3