0 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.83 CCOc1ccc(cc1)SC CSC000021790 [0,0,0,0,0,0|1,1,2]=4 2 B11R1.83 CCSc1ccc(cc1)OC CSC000021481 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.83 COCc1ccc(cc1)SC CSC010272925 [0,0,0,0,0,0|1,1,1]=3 4 B11R1.83 COc1ccc(cc1)CCO CSC011219623 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.83 CSCc1ccc(cc1)SC CSC000051362 [0,0,0,0,0,0|1,1,1]=3 6 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 COc1ccc(cc1)SC CSC000007070 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.3 CSc1ccc(cc1)C#N CSC000188601 [1,0,0,0,0,0|1,1,1]=4 12 B12R1.4 CCc1ccc(cc1)CC(=O)N CSC009837247 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.4 CCc1ccc(cc1)NC(=O)C CSC000155791 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.4 CCc1ccc(cc1)NC(=O)N CSC000181704 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.4 COc1ccc(cc1)CC(=O)N CSC000162232 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.4 COc1ccc(cc1)OC(=O)C CSC000002274 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.4 COc1ccc(cc1)SC(C)C CSC000019069 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.4 COc1ccc(cn1)NC(=O)C CSC000151899 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.4 CSc1ccc(cc1)NC(=O)N CSC000239025 [0,1,0,0,0,0|2,1,0]=4 20 B12R1.5 CCC(=O)c1ccc(cc1)OC CSC000170455 [0,1,0,0,0,0|0,0,3]=4 21 B12R1.5 CNC(=O)c1ccc(cc1)OC CSC000159827 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.5 COC(=O)c1ccc(cc1)OC CSC000150779 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.71 C=CCNc1ccc(cn1)C#N CSC000242244 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.71 C=CCOc1ccc(cc1)C#N CSC000172076 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.71 CCCOc1ccc(cc1)OC CSC000005956 [0,1,0,0,0,0|0,0,2]=3 26 B12R1.71 CCCSc1ccc(cc1)OC CSC000021480 [0,1,0,0,0,0|0,0,2]=3 27 B12R1.71 CCNCc1ccc(cc1)CC CSC000180871 [0,1,0,0,0,0|1,0,2]=4 28 B12R1.71 CCNCc1ccc(cc1)SC CSC000201209 [0,1,0,0,0,0|0,1,2]=4 29 B12R1.71 CCSCc1ccc(cc1)SC CSC000044554 [0,1,0,0,0,0|0,1,2]=4 30 B12R1.71 COc1ccc(cc1)OCCO CSC011305860 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.71 COc1ccc(cc1)SCCO CSC000230841 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.116 CCOc1ccc(cc1)CCO CSC011217992 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.116 CCOc1ccc(cc1)OCC CSC000170733 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.116 CSCc1ccc(cc1)CSC CSC000051352 [0,1,0,0,0,0|1,1,1]=4 35 B12R1.288 CNCc1ccc(c(c1)O)OC CSC000188468 [0,1,0,0,0,0|1,0,1]=3 36 B12R2.44 COc1ccc2c(c1)OCO2 CSC000005814 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 COc1ccc(cc1)Br CSC000169945 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.1 COc1ccc(cc1)I CSC000171711 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [2,0,0,0,0,0|1,1,0]=4 44 B9R1.1 CSc1ccc(cc1)F CSC000000078 [2,0,0,0,0,0|1,1,0]=4 45 B9R1.1 CSc1ccc(cc1)O CSC000211864 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,1,0,0,0,0|0,0,2]=4 49 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,1,0,0,0,0|0,0,2]=4 50 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [1,1,0,0,0,0|0,0,2]=4 52 B11R1.1 Cc1ccc(cc1)NCC#C CSC000219994 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [1,1,0,0,0,0|0,0,0]=2 55 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.1 Cc1ccc(cc1)SCC#N CSC000173268 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.20 CC(=O)Oc1ccc(cc1)C CSC000001885 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.20 Cc1ccc(cc1)CC(=O)N CSC000206417 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.20 NC(=O)Cc1ccc(cc1)Br CSC000162331 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.20 NC(=O)Cc1ccc(cc1)F CSC000162278 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.20 NC(=O)Cc1ccc(cc1)O CSC000020825 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.3 CCc1ccc(cc1)C(=O)N CSC000162293 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.3 CNc1ccc(cc1)C(=O)N CSC000220534 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.3 COc1ccc(cc1)C(=C)C CSC011935109 [1,1,0,0,0,0|0,0,0]=2 69 B11R1.3 COc1ccc(cc1)C(C)C CSC000174001 [1,1,0,0,0,0|0,0,1]=3 70 B11R1.3 COc1ccc(cc1)[C@@H](C)O CSC000744170 [1,1,0,0,0,0|0,0,1]=3 71 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CSC000156026 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.3 COc1ccc(cn1)C(=O)N CSC000234233 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.3 CSc1ccc(cc1)C(C)C CSC000044649 [1,1,0,0,0,0|0,1,1]=4 74 B11R1.3 NC(=O)c1ccc(cc1)C=C CSC000123571 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.279 COc1ccc(c(c1)C)C#N CSC011934301 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.279 COc1ccc(c(c1)Cl)C#N CSC011218975 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.279 COc1ccc(c(c1)F)C#N CSC000687259 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.279 COc1ccc(cc1Cl)C#N CSC000189300 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.279 COc1ccc(cc1F)C#N CSC011216750 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.279 COc1ccc(cc1I)C#N CSC010089744 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.5 CCC(=O)Nc1ccc(cc1)OC CSC000153951 [0,2,0,0,0,0|1,0,1]=4 82 B13R1.5 CCc1ccc(cc1)CC(=O)NC CSC015209060 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.5 CCc1ccc(cc1)CC(=O)NN CSC000014106 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.5 CCc1ccc(cc1)CC(=O)OC CSC011203038 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.5 CNC(=O)Cc1ccc(cc1)OC CSC000159856 [0,2,0,0,0,0|0,0,1]=3 86 B13R1.5 CNC(=O)Nc1ccc(cc1)OC CSC000213172 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.5 COC(=O)Cc1ccc(cc1)OC CSC000148849 [0,2,0,0,0,0|0,0,1]=3 88 B13R1.5 COC(=O)Nc1ccc(cc1)OC CSC000216170 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.5 COC(=O)Oc1ccc(cc1)OC CSC000022091 [0,2,0,0,0,0|1,0,1]=4 90 B13R1.5 COc1ccc(cc1)NC(=O)CN CSC000168403 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.5 COc1ccc(cc1)NC(=O)CO CSC011315770 [0,2,0,0,0,0|1,0,1]=4 92 B13R1.5 COc1ccc(cc1)NC(=O)NN CSC000760943 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.35 COc1ccc(cc1Br)NC(=O)C CSC000187428 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.35 COc1ccc(cc1Cl)NC(=O)C CSC000152235 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.35 COc1ccc(cc1Cl)NC(=O)N CSC000238976 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.35 COc1ccc(cc1F)CC(=O)N CSC000206431 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.35 COc1ccc(cc1F)NC(=O)C CSC011323073 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.35 COc1ccc(cc1N)NC(=O)C CSC000211725 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.36 COc1ccc(cc1)N(C)C(=O)C CSC000185353 [0,2,0,0,0,0|1,0,1]=4 100 B13R1.142 CNCc1ccc(cc1)OC(C)C CSC000713913 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C CSC009815704 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.653 COc1ccc(c(c1)O)NC(=O)C CSC000059749 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.139 CCCc1ccc(cc1)C(=O)OC CSC011528880 [0,2,0,0,0,0|0,0,2]=4 104 B13R1.139 CCOc1ccc(cc1)C(O)CC CSC011305111 [0,2,0,0,0,0|0,0,2]=4 105 B13R1.452 CCNC(C)c1ccc(cc1)OC CSC000737452 [0,2,0,0,0,0|0,0,2]=4 106 B13R1.3 CC(=C)COc1ccc(cc1)CO CSC000173090 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.3 CCc1ccc(cc1)OCC(=O)N CSC000149771 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.3 COc1ccc(cc1)CCC(=O)C CSC000170882 [0,2,0,0,0,0|0,0,1]=3 109 B13R1.3 COc1ccc(cc1)CNC(=O)C CSC000155742 [0,2,0,0,0,0|0,0,1]=3 110 B13R1.3 COc1ccc(cc1)CNC(=O)N CSC000238945 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.3 COc1ccc(cc1)CNC(C)C CSC000195754 [0,2,0,0,0,0|0,0,2]=4 112 B13R1.74 CC(=O)c1ccc(cc1)OCC=C CSC000172053 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.74 [O-][N+](=O)c1ccc(cc1)OCC=C CSC000006394 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.77 CCCOc1ccc(cc1)CCO CSC011755163 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.77 CCOc1ccc(cc1)OCCO CSC011305789 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.371 COc1ccc(cc1)CNCCO CSC000200446 [0,2,0,0,0,0|0,0,2]=4 117 B13R1.371 COc1ccc(cc1)OCCSC CSC000173652 [0,2,0,0,0,0|0,0,2]=4 118 B13R1.371 COc1ccc(cc1)SCCCO CSC000214580 [0,2,0,0,0,0|0,0,2]=4 119 B13R1.577 CCNCc1ccc(c(c1)Br)OC CSC000201274 [0,2,0,0,0,0|0,0,2]=4 120 B13R1.577 CCNCc1ccc(c(c1)Br)OC CSC000201274 [0,2,0,0,0,0|0,0,2]=4 121 B13R1.577 CCNCc1ccc(c(c1)Cl)OC CSC011523175 [0,2,0,0,0,0|0,0,2]=4 122 B13R1.386 COc1ccc(cc1OC)C=CC CSC020645153 [0,2,0,0,0,0|0,0,2]=4 123 B13R1.4031 CNCc1cc(c(c(c1)Br)OC)Br CSC011321328 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.25 COC(=O)C=Cc1cccs1 CSC000004362 [0,0,1,1,0,0|2,0,0]=4 125 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 CSC011996518 [0,1,0,1,0,0|1,0,1]=4 126 B13R2.57 COc1ccc2c(c1)OCCO2 CSC009884742 [0,1,0,1,0,0|1,0,1]=4 127 B13R2.57 COc1ccc2nccnc2c1 CSC000041819 [0,1,0,1,0,0|1,0,0]=3 128 B13R2.57 COc1cnc2ccccc2c1 CSC012187421 [0,1,0,1,0,0|1,0,1]=4 129 B13R2.57 CSc1ccc2ccccc2c1 CSC000000181 [0,1,0,1,0,0|0,1,1]=4 130 B13R2.449 CCOc1ccc2[nH]ccc2c1 CSC012017212 [0,1,0,1,0,0|1,0,0]=3