0 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [1,0,0,0,0,0|1,1,0]=3 1 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [0,0,1,0,0,0|2,0,0]=3 2 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [0,0,1,0,0,0|2,0,0]=3 3 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [0,0,1,0,0,0|2,0,0]=3 4 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [0,0,1,0,0,0|2,0,0]=3 5 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [0,0,1,0,0,0|2,1,0]=4 6 B12R1.1 COCCSc1ccc(cc1)C CSC000022196 [0,0,1,0,0,0|1,1,0]=3 7 B12R1.1 COCCSc1ccc(cc1)Cl CSC000022191 [0,0,1,0,0,0|1,1,0]=3 8 B14R2.72 Fc1ccc(cc1)NC2CCNC2 CSC011997841 [0,0,0,0,0,1|3,0,0]=4 9 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [1,0,1,0,0,0|1,0,0]=3 10 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,0,1,0,0,0|1,0,0]=3 11 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [1,0,1,0,0,0|1,1,0]=4 12 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,0,1,0,0,0|1,1,0]=4 13 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [1,0,1,0,0,0|1,1,0]=4 14 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [1,0,1,0,0,0|1,1,0]=4 15 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [1,0,1,0,0,0|2,0,0]=4 16 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [1,0,1,0,0,0|1,1,0]=4 18 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [1,0,1,0,0,0|2,0,0]=4 20 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [1,0,1,0,0,0|1,0,0]=3 22 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [1,0,1,0,0,0|1,0,0]=3 23 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [1,0,1,0,0,0|1,0,0]=3 24 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [1,0,1,0,0,0|1,1,0]=4 25 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [1,0,1,0,0,0|1,1,0]=4 26 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,0,1,0,0,0|0,0,0]=2 29 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,0,1,0,0,0|0,1,0]=3 30 B11R1.28 COCCSc1ccccn1 CSC000024487 [1,0,1,0,0,0|1,1,0]=4 31 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,0,1,0,0,0|1,1,0]=4 32 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,0,1,0,0,0|0,1,0]=3 33 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.20 CC(C)Nc1ccc(cc1)Br CSC000219625 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.20 CC(C)Sc1ccc(cc1)Br CSC009811894 [1,0,1,0,0,0|1,1,0]=4 36 B11R1.20 CC(C)Sc1ccc(cc1)C CSC000006694 [1,0,1,0,0,0|1,1,0]=4 37 B11R1.20 CC(C)Sc1ccc(cc1)Cl CSC000005997 [1,0,1,0,0,0|1,1,0]=4 38 B11R1.20 CC(C)Sc1ccc(cc1)F CSC000006008 [1,0,1,0,0,0|1,1,0]=4 39 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,0,1,0,0,0|1,1,0]=4 40 B13R1.9 CCOCCOc1ccc(cc1)Br CSC000169944 [0,1,1,0,0,0|1,0,0]=3 41 B13R1.9 CNCCCOc1ccc(cc1)Br CSC011252684 [0,1,1,0,0,0|2,0,0]=4 42 B13R1.9 COCCNCc1ccc(cc1)Br CSC000195702 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.9 COCCNCc1ccc(cc1)C CSC000195714 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.9 COCCNCc1ccc(cc1)Cl CSC000195703 [0,1,1,0,0,0|2,0,0]=4 45 B13R1.14 COC(=O)COc1ccc(cc1)C CSC000151163 [0,1,1,0,0,0|1,0,1]=4 46 B13R1.14 COC(=O)COc1ccc(cc1)Cl CSC000148943 [0,1,1,0,0,0|1,0,1]=4 47 B13R1.14 COC(=O)COc1ccc(cc1)I CSC000151492 [0,1,1,0,0,0|1,0,1]=4 48 B13R1.19 COCC(=O)Oc1ccc(cc1)Cl CSC000030512 [0,1,1,0,0,0|1,0,1]=4 49 B13R1.369 CCCCOc1ccc(cc1Br)F CSC000205391 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.369 CCCCOc1ccc(cc1F)Br CSC000230658 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.369 COCCOc1ccc(cc1Br)Br CSC000240442 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.371 CCCCOc1ccc(cc1)C#N CSC000188571 [0,1,1,0,0,0|1,0,1]=4 53 B13R1.371 CCCCOc1ccc(cc1)CN CSC000185561 [0,1,1,0,0,0|1,0,0]=3 54 B13R1.371 CCCCOc1ccc(cc1)CO CSC011205736 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.371 CCCCOc1ccc(cc1)SC CSC000030525 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.371 COc1ccc(cc1)OCCSC CSC000173652 [0,1,1,0,0,0|1,1,0]=4 57 B15R2.1154 Fc1ccc(c(c1)Cl)OC2CCOC2 CSC026971189 [0,1,0,0,0,1|1,0,0]=3 58 B13R2.527 Fc1ccc(cc1)OCC2CC2 CSC012146133 [0,0,1,1,0,0|2,0,0]=4 59 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [1,0,0,0,0,1|1,0,0]=3 60 B13R2.2383 C(Nc1ccccc1)C2CCC2 CSC000685713 [1,0,0,0,0,1|2,0,0]=4 61 B15R2.100 Brc1ccc(cc1)CNC2CCOC2 CSC011846933 [0,0,0,0,0,2|2,0,0]=4 62 B15R2.100 Clc1ccc(cc1)CNC2CCOC2 CSC011846997 [0,0,0,0,0,2|2,0,0]=4