0 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [0,0,0,0,0,0|1,0,3]=4 2 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [0,0,0,0,0,0|2,0,2]=4 11 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [0,0,0,0,0,0|2,0,2]=4 13 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,0,0,0,0,0|1,0,2]=3 14 B13R1.466 CCNC(C)c1ccc(c(c1)Br)O 269862a_100015525214_100011772453 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.466 CCNC(C)c1ccc(c(c1)C)O 269862a_100015525214_100000188726 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)O 269862a_100015525214_100000188625 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.466 CCNC(C)c1ccc(c(c1)F)O 269862a_100015525214_100000751691 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.466 CCNC(C)c1ccc(c(c1)O)C 269862a_100015525214_100000084092 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.466 CCNC(C)c1ccc(c(c1)O)F 269862a_100015525214_100000117923 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [0,0,0,0,0,0|2,0,2]=4 21 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [0,0,0,0,0,0|2,0,2]=4 22 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 2230a_106832991635_100012346676 [0,0,0,0,0,0|2,0,2]=4 23 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 34a_100102657272_100012346676 [0,0,0,0,0,0|2,0,2]=4 24 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 7a_106832991635_100012346676 [0,0,0,0,0,0|2,0,2]=4 25 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 2230a_106832991635_100011217175 [0,0,0,0,0,0|2,0,2]=4 26 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 34a_100102657272_100011217175 [0,0,0,0,0,0|2,0,2]=4 27 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 7a_106832991635_100011217175 [0,0,0,0,0,0|2,0,2]=4 28 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [0,0,0,0,0,0|2,0,2]=4 29 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [0,0,0,0,0,0|2,0,2]=4 30 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [0,0,0,0,0,0|2,0,2]=4 31 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 2230a_106832991635_200012349649 [0,0,0,0,0,0|2,0,2]=4 32 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 34a_100102657272_200012349649 [0,0,0,0,0,0|2,0,2]=4 33 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_106832991635_100000211430 [0,0,0,0,0,0|2,0,2]=4 34 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991635_100000211430 [0,0,0,0,0,0|2,0,2]=4 35 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 2230a_106832991635_100000757878 [0,0,0,0,0,0|2,0,2]=4 36 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 34a_100102657272_100000757878 [0,0,0,0,0,0|2,0,2]=4 37 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 7a_106832991635_100000757878 [0,0,0,0,0,0|2,0,2]=4 38 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [0,0,0,0,0,0|1,0,2]=3 39 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 2230a_106832991635_100012361357 [0,0,0,0,0,0|2,0,2]=4 40 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 34a_100102657272_100012361357 [0,0,0,0,0,0|2,0,2]=4 41 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 7a_106832991635_100012361357 [0,0,0,0,0,0|2,0,2]=4 42 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 2230a_106832991635_100011219196 [0,0,0,0,0,0|2,0,2]=4 43 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 34a_100102657272_100011219196 [0,0,0,0,0,0|2,0,2]=4 44 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 7a_106832991635_100011219196 [0,0,0,0,0,0|2,0,2]=4 45 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 2230a_106832991635_100012351892 [0,0,0,0,0,0|2,0,2]=4 46 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 34a_100102657272_100012351892 [0,0,0,0,0,0|2,0,2]=4 47 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 7a_106832991635_100012351892 [0,0,0,0,0,0|2,0,2]=4 48 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 2230a_106832991635_100000183380 [0,0,0,0,0,0|2,0,2]=4 49 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 34a_100102657272_100000183380 [0,0,0,0,0,0|2,0,2]=4 50 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 7a_106832991635_100000183380 [0,0,0,0,0,0|2,0,2]=4 51 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,0,0,0,0,0|0,0,2]=2 52 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [0,0,0,0,0,0|0,0,0]=0 53 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_106832991635_100000761251 [0,0,0,0,0,0|2,0,0]=2 54 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100102657272_100000761251 [0,0,0,0,0,0|2,0,0]=2 55 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991635_100000761251 [0,0,0,0,0,0|2,0,0]=2 56 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [0,0,0,0,0,0|2,0,2]=4 57 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [0,0,0,0,0,0|2,0,2]=4 58 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [0,0,0,0,0,0|2,0,2]=4 59 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [0,0,0,0,0,0|2,0,2]=4 60 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [0,0,0,0,0,0|2,0,2]=4 61 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [0,0,0,0,0,0|2,0,2]=4 62 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [0,0,0,0,0,0|2,0,2]=4 63 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [0,0,0,0,0,0|2,0,2]=4 64 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [0,0,0,0,0,0|2,0,2]=4 65 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [0,0,0,0,0,0|2,0,2]=4 66 B13R1.466 COCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B13R1.466 COC[C@@H](O)c1ccc(c(c1)F)F 34a_100138415774_100000761251 [0,0,0,0,0,0|3,0,0]=3 68 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200000210301_200010170092 [0,0,0,0,0,0|2,0,2]=4 69 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200000210301 [0,0,0,0,0,0|2,0,2]=4 70 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [0,0,0,0,0,0|1,0,2]=3 71 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_200000210301_100000761251 [0,0,0,0,0,0|3,0,0]=3 73 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214920 [0,0,0,0,0,0|2,0,2]=4 74 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [0,0,0,0,0,0|2,0,2]=4 75 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [0,0,0,0,0,0|2,0,2]=4 76 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [0,0,0,0,0,0|0,0,0]=0 77 B13R1.466 [13CH3]OCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200025704644 [0,0,0,0,0,0|2,0,2]=4 79 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200025704644_200010170092 [0,0,0,0,0,0|2,0,2]=4 80 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [0,0,0,0,0,0|1,0,2]=3 81 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_200025704644_100000761251 [0,0,0,0,0,0|3,0,0]=3 83 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [1,0,0,0,0,0|1,0,1]=3 84 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [1,0,0,0,0,0|1,0,0]=2 85 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [1,0,0,0,0,0|1,0,2]=4 86 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [1,0,0,0,0,0|1,0,2]=4 87 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [1,0,0,0,0,0|1,0,0]=2 88 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [1,0,0,0,0,0|1,0,2]=4 92 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [1,0,0,0,0,0|1,0,2]=4 93 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [1,0,0,0,0,0|1,0,2]=4 94 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [1,0,0,0,0,0|1,0,2]=4 95 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [1,0,0,0,0,0|1,0,2]=4 96 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [1,0,0,0,0,0|1,0,2]=4 97 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [1,0,0,0,0,0|1,0,2]=4 98 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [1,0,0,0,0,0|1,0,2]=4 99 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [1,0,0,0,0,0|1,0,2]=4 100 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [1,0,0,0,0,0|0,0,2]=3 101 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [1,0,0,0,0,0|0,0,2]=3 102 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [1,0,0,0,0,0|1,0,0]=2 103 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [1,0,0,0,0,0|1,0,0]=2 104 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [1,0,0,0,0,0|1,0,0]=2 105 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [1,0,0,0,0,0|1,0,0]=2 106 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [1,0,0,0,0,0|1,0,0]=2 107 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [1,0,0,0,0,0|1,0,0]=2 108 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [1,0,0,0,0,0|1,0,0]=2 109 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [1,0,0,0,0,0|1,0,0]=2 110 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [1,0,0,0,0,0|1,0,0]=2 111 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [1,0,0,0,0,0|1,0,0]=2 112 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [1,0,0,0,0,0|0,0,0]=1 113 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [1,0,0,0,0,0|1,0,0]=2 114 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [1,0,0,0,0,0|1,0,0]=2 115 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [1,0,0,0,0,0|1,0,0]=2 116 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [1,0,0,0,0,0|1,0,2]=4 117 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [1,0,0,0,0,0|1,0,2]=4 118 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [1,0,0,0,0,0|1,0,2]=4 119 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,0,0,0,0,0|3,0,0]=4 120 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [1,0,0,0,0,0|2,0,0]=3 122 B12R1.16 COCN(C)c1ccc(cc1)O 269982a_100000182112_100000766300 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [1,0,0,0,0,0|2,0,0]=3 126 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [1,0,0,0,0,0|1,0,2]=4 127 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [1,0,0,0,0,0|1,0,2]=4 128 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [1,0,0,0,0,0|2,0,0]=3 129 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B12R1.16 CSCN(C)c1ccc(cc1)O 269982a_100000182112_100011218213 [1,0,0,0,0,0|3,0,0]=4 131 B12R1.16 CSCN(C)c1ccc(cc1)O 34a_100000182112_100011218213 [1,0,0,0,0,0|3,0,0]=4 132 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [1,0,0,0,0,0|2,0,0]=3 133 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [1,0,0,0,0,0|2,0,0]=3 134 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [1,0,0,0,0,0|1,0,0]=2 135 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [1,0,0,0,0,0|1,0,0]=2 136 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [1,0,0,0,0,0|3,0,0]=4 137 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [1,0,0,0,0,0|3,0,0]=4 138 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [1,0,0,0,0,0|1,0,0]=2 139 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [1,0,0,0,0,0|1,0,0]=2 140 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [1,0,0,0,0,0|1,0,0]=2 141 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [1,0,0,0,0,0|1,0,0]=2 142 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [1,0,0,0,0,0|0,0,0]=1 143 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,0,0,0,0,0|3,0,0]=4 144 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [1,0,0,0,0,0|1,0,2]=4 147 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [1,0,0,0,0,0|1,0,2]=4 148 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [1,0,0,0,0,0|2,0,0]=3 149 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [1,0,0,0,0,0|2,0,0]=3 150 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [1,0,0,0,0,0|2,0,0]=3 152 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [1,0,0,0,0,0|1,0,2]=4 153 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [1,0,0,0,0,0|3,0,0]=4 154 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [1,0,0,0,0,0|3,0,0]=4 157 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [1,0,0,0,0,0|1,0,2]=4 159 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [1,0,0,0,0,0|1,0,2]=4 160 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [1,0,0,0,0,0|1,0,2]=4 161 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [1,0,0,0,0,0|1,0,2]=4 162 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [1,0,0,0,0,0|1,0,2]=4 163 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [1,0,0,0,0,0|1,0,2]=4 164 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [1,0,0,0,0,0|1,0,2]=4 165 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [1,0,0,0,0,0|1,0,2]=4 166 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [1,0,0,0,0,0|1,0,2]=4 167 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [1,0,0,0,0,0|1,0,2]=4 168 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [1,0,0,0,0,0|1,0,2]=4 169 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [1,0,0,0,0,0|0,0,2]=3 170 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [1,0,0,0,0,0|0,0,2]=3 171 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [1,0,0,0,0,0|0,0,0]=1 172 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [1,0,0,0,0,0|0,0,0]=1 173 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [1,0,0,0,0,0|0,0,0]=1 174 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [1,0,0,0,0,0|1,0,2]=4 175 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [1,0,0,0,0,0|1,0,2]=4 176 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.17 COCN(C)c1cccc(c1)O 2230a_100000756613_100000766300 [1,0,0,0,0,0|3,0,0]=4 178 B12R1.17 COCN(C)c1cccc(c1)O 269982a_100000756613_100000766300 [1,0,0,0,0,0|3,0,0]=4 179 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [1,0,0,0,0,0|1,0,2]=4 183 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [1,0,0,0,0,0|1,0,2]=4 184 B12R1.17 CSCN(C)c1cccc(c1)O 2230a_100000756613_100011218213 [1,0,0,0,0,0|3,0,0]=4 185 B12R1.17 CSCN(C)c1cccc(c1)O 269982a_100000756613_100011218213 [1,0,0,0,0,0|3,0,0]=4 186 B12R1.17 CSCN(C)c1cccc(c1)O 34a_100000756613_100011218213 [1,0,0,0,0,0|3,0,0]=4 187 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [1,0,0,0,0,0|3,0,0]=4 189 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [1,0,0,0,0,0|0,0,0]=1 190 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [1,0,0,0,0,0|0,0,0]=1 191 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [1,0,0,0,0,0|3,0,0]=4 193 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [1,0,0,0,0,0|1,0,2]=4 195 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [1,0,0,0,0,0|1,0,2]=4 196 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000743459_200025704644 [1,0,0,0,0,0|3,0,0]=4 197 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000743459_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 2230a_100000756309_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 34a_100000756309_200025704644 [1,0,0,0,0,0|3,0,0]=4 200 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [1,0,0,0,0,0|1,0,2]=4 201 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [1,0,0,0,0,0|1,0,2]=4 202 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [1,0,0,0,0,0|1,0,2]=4 203 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [1,0,0,0,0,0|1,0,2]=4 204 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [1,0,0,0,0,0|1,0,2]=4 205 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [1,0,0,0,0,0|1,0,2]=4 206 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [1,0,0,0,0,0|1,0,2]=4 207 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [1,0,0,0,0,0|1,0,2]=4 208 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [1,0,0,0,0,0|1,0,2]=4 209 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [1,0,0,0,0,0|1,0,2]=4 210 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [1,0,0,0,0,0|1,0,2]=4 211 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [1,0,0,0,0,0|1,0,2]=4 212 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [1,0,0,0,0,0|0,0,2]=3 213 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [1,0,0,0,0,0|1,0,2]=4 214 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [1,0,0,0,0,0|1,0,2]=4 215 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [1,0,0,0,0,0|1,0,2]=4 216 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [1,0,0,0,0,0|1,0,2]=4 217 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [1,0,0,0,0,0|1,0,2]=4 218 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [1,0,0,0,0,0|1,0,2]=4 219 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [1,0,0,0,0,0|1,0,2]=4 220 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [1,0,0,0,0,0|1,0,2]=4 221 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [1,0,0,0,0,0|1,0,2]=4 222 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [1,0,0,0,0,0|1,0,2]=4 223 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [1,0,0,0,0,0|1,0,2]=4 224 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [1,0,0,0,0,0|1,0,2]=4 225 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [1,0,0,0,0,0|1,0,2]=4 226 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [1,0,0,0,0,0|1,0,2]=4 227 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [1,0,0,0,0,0|1,0,2]=4 228 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [1,0,0,0,0,0|1,0,2]=4 229 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [1,0,0,0,0,0|1,0,2]=4 230 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [1,0,0,0,0,0|1,0,2]=4 231 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [1,0,0,0,0,0|1,0,2]=4 232 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [1,0,0,0,0,0|1,0,2]=4 233 B12R1.367 CNC(C)c1ccc(c(c1)Br)Br 269862a_106832991636_100009814466 [1,0,0,0,0,0|3,0,0]=4 234 B12R1.367 CNC(C)c1ccc(c(c1)Br)C 269862a_106832991636_100011934287 [1,0,0,0,0,0|3,0,0]=4 235 B12R1.367 CNC(C)c1ccc(c(c1)Br)Cl 269862a_106832991636_100012356427 [1,0,0,0,0,0|3,0,0]=4 236 B12R1.367 CNC(C)c1ccc(c(c1)Br)F 269862a_106832991636_100000239719 [1,0,0,0,0,0|3,0,0]=4 237 B12R1.367 CNC(C)c1ccc(c(c1)Br)I 269862a_106832991636_100010146554 [1,0,0,0,0,0|3,0,0]=4 238 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [1,0,0,0,0,0|2,0,0]=3 239 B12R1.367 CNC(C)c1ccc(c(c1)C)Br 269862a_106832991636_100000697869 [1,0,0,0,0,0|3,0,0]=4 240 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [1,0,0,0,0,0|3,0,0]=4 241 B12R1.367 CNC(C)c1ccc(c(c1)C)Cl 269862a_106832991636_100011216000 [1,0,0,0,0,0|3,0,0]=4 242 B12R1.367 CNC(C)c1ccc(c(c1)C)F 2230a_100000705826_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B12R1.367 CNC(C)c1ccc(c(c1)C)F 269862a_106832991636_100000754758 [1,0,0,0,0,0|3,0,0]=4 244 B12R1.367 CNC(C)c1ccc(c(c1)C)F 34a_100000705826_200000210301 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [1,0,0,0,0,0|2,0,0]=3 246 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Br 269862a_106832991636_100012353846 [1,0,0,0,0,0|3,0,0]=4 247 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 269862a_106832991636_100012002458 [1,0,0,0,0,0|3,0,0]=4 249 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000210641 [1,0,0,0,0,0|3,0,0]=4 252 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B12R1.367 CNC(C)c1ccc(c(c1)Cl)F 269862a_106832991636_100000737303 [1,0,0,0,0,0|3,0,0]=4 254 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [1,0,0,0,0,0|2,0,0]=3 255 B12R1.367 CNC(C)c1ccc(c(c1)F)Br 269862a_106832991636_100000690002 [1,0,0,0,0,0|3,0,0]=4 256 B12R1.367 CNC(C)c1ccc(c(c1)F)C 269862a_106832991636_100000767010 [1,0,0,0,0,0|3,0,0]=4 257 B12R1.367 CNC(C)c1ccc(c(c1)F)Cl 269862a_106832991636_100000693814 [1,0,0,0,0,0|3,0,0]=4 258 B12R1.367 CNC(C)c1ccc(c(c1)F)F 2230a_100000756309_200000210301 [1,0,0,0,0,0|3,0,0]=4 259 B12R1.367 CNC(C)c1ccc(c(c1)F)F 269862a_106832991636_100000184692 [1,0,0,0,0,0|3,0,0]=4 260 B12R1.367 CNC(C)c1ccc(c(c1)F)F 34a_100000756309_200000210301 [1,0,0,0,0,0|3,0,0]=4 261 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [1,0,0,0,0,0|2,0,0]=3 262 B12R1.367 CNC(C)c1ccc(c(c1)I)Br 269862a_106832991636_100010146556 [1,0,0,0,0,0|3,0,0]=4 263 B12R1.367 CNC(C)c1ccc(c(c1)O)C 269862a_106832991636_100000084092 [1,0,0,0,0,0|2,0,0]=3 264 B12R1.367 CNC(C)c1ccc(c(c1)O)F 269862a_106832991636_100000117923 [1,0,0,0,0,0|2,0,0]=3 265 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_200000210301 [1,0,0,0,0,0|3,0,0]=4 266 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_200000210301 [1,0,0,0,0,0|3,0,0]=4 267 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_200000210301 [1,0,0,0,0,0|3,0,0]=4 275 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_200000210301 [1,0,0,0,0,0|3,0,0]=4 277 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [1,0,0,0,0,0|1,0,2]=4 278 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [1,0,0,0,0,0|1,0,2]=4 279 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 2230a_100016987892_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 34a_100016987892_200025704644 [1,0,0,0,0,0|3,0,0]=4 281 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 2230a_100016987903_200025704644 [1,0,0,0,0,0|3,0,0]=4 282 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 34a_100016987903_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 2230a_100000753309_200025704644 [1,0,0,0,0,0|3,0,0]=4 284 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 34a_100000753309_200025704644 [1,0,0,0,0,0|3,0,0]=4 285 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 2230a_100134618348_200025704644 [1,0,0,0,0,0|3,0,0]=4 286 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 34a_100134618348_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 2230a_100000705826_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 34a_100000705826_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [1,0,0,0,0,0|3,0,0]=4 290 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 2230a_100012005020_200025704644 [1,0,0,0,0,0|3,0,0]=4 292 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 34a_100012005020_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 2230a_100011997884_200025704644 [1,0,0,0,0,0|3,0,0]=4 294 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 34a_100011997884_200025704644 [1,0,0,0,0,0|3,0,0]=4 295 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [1,0,0,0,0,0|1,0,2]=4 296 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [1,0,0,0,0,0|1,0,2]=4 297 B12R1.385 C#CCNc1ccc(c(c1)O)O 34a_100102946323_100000184674 [1,0,0,0,0,0|2,0,1]=4 298 B12R1.385 C#CCSc1ccc(c(c1)O)O 62a_100000038162_100009813601 [1,0,0,0,0,0|2,0,1]=4 299 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [1,0,0,0,0,0|2,0,1]=4 300 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [1,0,0,0,0,0|2,0,1]=4 301 B12R1.385 CCCCc1c[nH]c(=O)c(c1)O 271570a_100020621405_100009814561 [1,0,0,0,0,0|2,0,1]=4 302 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [1,0,0,0,0,0|3,0,0]=4 303 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [1,0,0,0,0,0|3,0,0]=4 304 B12R1.385 CCCCc1cc(c(cn1)O)C 271570a_100020621405_100000692680 [1,0,0,0,0,0|3,0,0]=4 305 B12R1.385 CCCCc1cc(c(cn1)O)N 271570a_100020621405_100009819941 [1,0,0,0,0,0|3,0,0]=4 306 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [1,0,0,0,0,0|3,0,0]=4 307 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [1,0,0,0,0,0|3,0,0]=4 308 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [1,0,0,0,0,0|3,0,0]=4 309 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [1,0,0,0,0,0|3,0,0]=4 310 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [1,0,0,0,0,0|3,0,0]=4 311 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [1,0,0,0,0,0|2,0,0]=3 312 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [1,0,0,0,0,0|3,0,0]=4 313 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [1,0,0,0,0,0|3,0,0]=4 314 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [1,0,0,0,0,0|3,0,0]=4 315 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [1,0,0,0,0,0|3,0,0]=4 316 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [1,0,0,0,0,0|3,0,0]=4 317 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [1,0,0,0,0,0|2,0,0]=3 318 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [1,0,0,0,0,0|3,0,0]=4 319 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [1,0,0,0,0,0|3,0,0]=4 320 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [1,0,0,0,0,0|3,0,0]=4 321 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [1,0,0,0,0,0|3,0,0]=4 322 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [1,0,0,0,0,0|3,0,0]=4 323 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [1,0,0,0,0,0|2,0,0]=3 324 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [1,0,0,0,0,0|3,0,0]=4 325 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [1,0,0,0,0,0|3,0,0]=4 326 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [1,0,0,0,0,0|3,0,0]=4 327 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [1,0,0,0,0,0|3,0,0]=4 328 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [1,0,0,0,0,0|3,0,0]=4 329 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [1,0,0,0,0,0|2,0,0]=3 330 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [1,0,0,0,0,0|3,0,0]=4 331 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [1,0,0,0,0,0|3,0,0]=4 332 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [1,0,0,0,0,0|3,0,0]=4 333 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [1,0,0,0,0,0|3,0,0]=4 334 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [1,0,0,0,0,0|3,0,0]=4 335 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [1,0,0,0,0,0|2,0,0]=3 336 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [1,0,0,0,0,0|2,0,0]=3 337 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [1,0,0,0,0,0|2,0,0]=3 338 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [1,0,0,0,0,0|2,0,0]=3 339 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [1,0,0,0,0,0|2,0,0]=3 340 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [1,0,0,0,0,0|2,0,0]=3 341 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,0,0,0,0,0|1,0,0]=2 342 B12R1.385 CCCCc1ccc(c(n1)Br)O 271570a_100020621405_100000725334 [1,0,0,0,0,0|3,0,0]=4 343 B12R1.385 CCCCc1ccc(c(n1)C)O 271570a_100020621405_100010233687 [1,0,0,0,0,0|3,0,0]=4 344 B12R1.385 CCCCc1ccc(c(n1)Cl)O 271570a_100020621405_100000721234 [1,0,0,0,0,0|3,0,0]=4 345 B12R1.385 CCCCc1ccc(c(n1)F)O 271570a_100020621405_100009819667 [1,0,0,0,0,0|3,0,0]=4 346 B12R1.385 CCCCc1ccc(c(n1)N)O 271570a_100020621405_100000685527 [1,0,0,0,0,0|3,0,0]=4 347 B12R1.385 CCCCc1ccc(c(n1)O)F 271570a_100020621405_100010729010 [1,0,0,0,0,0|3,0,0]=4 348 B12R1.385 CCCCc1ccc(c(n1)O)N 271570a_100020621405_100000718904 [1,0,0,0,0,0|3,0,0]=4 349 B12R1.385 CCCCc1cnc(c(c1)C)O 271570a_100020621405_100000685391 [1,0,0,0,0,0|3,0,0]=4 350 B12R1.385 CCCCc1cnc(c(c1)Cl)O 271570a_100020621405_100010238531 [1,0,0,0,0,0|3,0,0]=4 351 B12R1.385 CCCCc1cnc(c(c1)N)O 271570a_100020621405_100000743729 [1,0,0,0,0,0|3,0,0]=4 352 B12R1.385 CCCCc1cnc(c(c1)O)C 271570a_100020621405_100009864810 [1,0,0,0,0,0|3,0,0]=4 353 B12R1.385 CCCCc1cnc(c(c1)O)F 271570a_100020621405_100009819871 [1,0,0,0,0,0|3,0,0]=4 354 B12R1.385 CCCCc1cnc(c(c1)O)N 271570a_100020621405_100009819042 [1,0,0,0,0,0|3,0,0]=4 355 B12R1.385 CCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210303 [1,0,0,0,0,0|3,0,0]=4 356 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [1,0,0,0,0,0|3,0,0]=4 357 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [1,0,0,0,0,0|3,0,0]=4 358 B12R1.385 CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210303 [1,0,0,0,0,0|3,0,0]=4 359 B12R1.385 CCCNc1ccc(c(c1)F)O 34a_100011220035_100000210303 [1,0,0,0,0,0|3,0,0]=4 360 B12R1.385 CCCNc1ccc(c(c1)F)O 7a_100011220035_100000210303 [1,0,0,0,0,0|3,0,0]=4 361 B12R1.385 CCCNc1ccc(c(c1)O)C 34a_100000759471_100000210303 [1,0,0,0,0,0|3,0,0]=4 362 B12R1.385 CCCNc1ccc(c(c1)O)C 7a_100000759471_100000210303 [1,0,0,0,0,0|3,0,0]=4 363 B12R1.385 CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210303 [1,0,0,0,0,0|3,0,0]=4 364 B12R1.385 CCCNc1ccc(c(c1)O)F 34a_100012017398_100000210303 [1,0,0,0,0,0|3,0,0]=4 365 B12R1.385 CCCNc1ccc(c(c1)O)F 7a_100012017398_100000210303 [1,0,0,0,0,0|3,0,0]=4 366 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [1,0,0,0,0,0|2,0,0]=3 367 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [1,0,0,0,0,0|3,0,0]=4 368 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [1,0,0,0,0,0|3,0,0]=4 369 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100000210303_100012361655 [1,0,0,0,0,0|3,0,0]=4 370 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210303 [1,0,0,0,0,0|3,0,0]=4 371 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [1,0,0,0,0,0|3,0,0]=4 372 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100000210303_100012360047 [1,0,0,0,0,0|3,0,0]=4 373 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210303 [1,0,0,0,0,0|3,0,0]=4 374 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000185481_100000210303 [1,0,0,0,0,0|3,0,0]=4 375 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000210303_100000185481 [1,0,0,0,0,0|3,0,0]=4 376 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000210303_100000752626 [1,0,0,0,0,0|3,0,0]=4 377 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000752626_100000210303 [1,0,0,0,0,0|3,0,0]=4 378 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100000210303_100012356990 [1,0,0,0,0,0|3,0,0]=4 379 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210303 [1,0,0,0,0,0|3,0,0]=4 380 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000210303_100000685420 [1,0,0,0,0,0|3,0,0]=4 381 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000685420_100000210303 [1,0,0,0,0,0|3,0,0]=4 382 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100000210303_100011356854 [1,0,0,0,0,0|3,0,0]=4 383 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210303 [1,0,0,0,0,0|3,0,0]=4 384 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000210303_100000686035 [1,0,0,0,0,0|3,0,0]=4 385 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000686035_100000210303 [1,0,0,0,0,0|3,0,0]=4 386 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000210303_100000739049 [1,0,0,0,0,0|3,0,0]=4 387 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000739049_100000210303 [1,0,0,0,0,0|3,0,0]=4 388 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [1,0,0,0,0,0|2,0,0]=3 389 B12R1.385 CCNCc1ccc(c(c1)F)O 34a_100000758358_100000210202 [1,0,0,0,0,0|3,0,0]=4 390 B12R1.385 CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210202 [1,0,0,0,0,0|3,0,0]=4 391 B12R1.385 CCNCc1ccc(c(c1)O)F 34a_100160469508_100000210202 [1,0,0,0,0,0|3,0,0]=4 392 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [1,0,0,0,0,0|2,0,0]=3 393 B12R1.385 CNCCc1ccc(c(c1)C)C 2230a_100020591374_200000210301 [1,0,0,0,0,0|2,0,0]=3 394 B12R1.385 CNCCc1ccc(c(c1)C)C 34a_100020591374_200000210301 [1,0,0,0,0,0|2,0,0]=3 395 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200000210301 [1,0,0,0,0,0|2,0,0]=3 396 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100011713676 [1,0,0,0,0,0|2,0,0]=3 397 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200000210301 [1,0,0,0,0,0|2,0,0]=3 398 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100102657272_100011713676 [1,0,0,0,0,0|2,0,0]=3 399 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 7a_106832991635_100011713676 [1,0,0,0,0,0|2,0,0]=3 400 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_106832991635_100012361305 [1,0,0,0,0,0|2,0,0]=3 401 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_200011997520_200000210301 [1,0,0,0,0,0|2,0,0]=3 402 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_100102657272_100012361305 [1,0,0,0,0,0|2,0,0]=3 403 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_200011997520_200000210301 [1,0,0,0,0,0|2,0,0]=3 404 B12R1.385 CNCCc1ccc(c(c1)Cl)F 7a_106832991635_100012361305 [1,0,0,0,0,0|2,0,0]=3 405 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_106832991635_100000690553 [1,0,0,0,0,0|2,0,0]=3 406 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_200000706328_200000210301 [1,0,0,0,0,0|2,0,0]=3 407 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_100102657272_100000690553 [1,0,0,0,0,0|2,0,0]=3 408 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_200000706328_200000210301 [1,0,0,0,0,0|2,0,0]=3 409 B12R1.385 CNCCc1ccc(c(c1)F)F 7a_106832991635_100000690553 [1,0,0,0,0,0|2,0,0]=3 410 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [1,0,0,0,0,0|0,0,0]=1 411 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [1,0,0,0,0,0|0,0,0]=1 412 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200000210301 [1,0,0,0,0,0|3,0,0]=4 413 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100138415774_100011713676 [1,0,0,0,0,0|3,0,0]=4 414 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200000210301 [1,0,0,0,0,0|3,0,0]=4 415 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100011830478_200000210301 [1,0,0,0,0,0|3,0,0]=4 416 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100138415774_100012361305 [1,0,0,0,0,0|3,0,0]=4 417 B12R1.385 COCCc1ccc(c(c1)Cl)F 7a_100011830478_200000210301 [1,0,0,0,0,0|3,0,0]=4 418 B12R1.385 COCCc1ccc(c(c1)F)Br 34a_100012921202_200000210301 [1,0,0,0,0,0|3,0,0]=4 419 B12R1.385 COCCc1ccc(c(c1)F)Br 7a_100012921202_200000210301 [1,0,0,0,0,0|3,0,0]=4 420 B12R1.385 COCCc1ccc(c(c1)F)Cl 34a_100011934464_200000210301 [1,0,0,0,0,0|3,0,0]=4 421 B12R1.385 COCCc1ccc(c(c1)F)Cl 7a_100011934464_200000210301 [1,0,0,0,0,0|3,0,0]=4 422 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100000690376_200000210301 [1,0,0,0,0,0|3,0,0]=4 423 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100138415774_100000690553 [1,0,0,0,0,0|3,0,0]=4 424 B12R1.385 COCCc1ccc(c(c1)F)F 7a_100000690376_200000210301 [1,0,0,0,0,0|3,0,0]=4 425 B12R1.385 COCOc1ccc(c(c1)F)O 271570a_203496583355_100012265695 [1,0,0,0,0,0|3,0,0]=4 426 B12R1.385 COCOc1ccc(c(c1)O)C 271570a_203496583355_200015918306 [1,0,0,0,0,0|3,0,0]=4 427 B12R1.385 COCSc1ccc(c(c1)Br)O 62a_100000766300_100012361655 [1,0,0,0,0,0|3,0,0]=4 428 B12R1.385 COCSc1ccc(c(c1)Br)O 62a_100012361655_100000766300 [1,0,0,0,0,0|3,0,0]=4 429 B12R1.385 COCSc1ccc(c(c1)C)O 62a_100000766300_100000186361 [1,0,0,0,0,0|3,0,0]=4 430 B12R1.385 COCSc1ccc(c(c1)Cl)O 62a_100000766300_100012360047 [1,0,0,0,0,0|3,0,0]=4 431 B12R1.385 COCSc1ccc(c(c1)Cl)O 62a_100012360047_100000766300 [1,0,0,0,0,0|3,0,0]=4 432 B12R1.385 COCSc1ccc(c(c1)F)O 62a_100000185481_100000766300 [1,0,0,0,0,0|3,0,0]=4 433 B12R1.385 COCSc1ccc(c(c1)F)O 62a_100000766300_100000185481 [1,0,0,0,0,0|3,0,0]=4 434 B12R1.385 COCSc1ccc(c(c1)N)O 62a_100000752626_100000766300 [1,0,0,0,0,0|3,0,0]=4 435 B12R1.385 COCSc1ccc(c(c1)N)O 62a_100000766300_100000752626 [1,0,0,0,0,0|3,0,0]=4 436 B12R1.385 COCSc1ccc(c(c1)O)Br 62a_100000766300_100012356990 [1,0,0,0,0,0|3,0,0]=4 437 B12R1.385 COCSc1ccc(c(c1)O)Br 62a_100012356990_100000766300 [1,0,0,0,0,0|3,0,0]=4 438 B12R1.385 COCSc1ccc(c(c1)O)C 62a_100000685420_100000766300 [1,0,0,0,0,0|3,0,0]=4 439 B12R1.385 COCSc1ccc(c(c1)O)C 62a_100000766300_100000685420 [1,0,0,0,0,0|3,0,0]=4 440 B12R1.385 COCSc1ccc(c(c1)O)Cl 62a_100000766300_100011356854 [1,0,0,0,0,0|3,0,0]=4 441 B12R1.385 COCSc1ccc(c(c1)O)Cl 62a_100011356854_100000766300 [1,0,0,0,0,0|3,0,0]=4 442 B12R1.385 COCSc1ccc(c(c1)O)F 62a_100000686035_100000766300 [1,0,0,0,0,0|3,0,0]=4 443 B12R1.385 COCSc1ccc(c(c1)O)F 62a_100000766300_100000686035 [1,0,0,0,0,0|3,0,0]=4 444 B12R1.385 COCSc1ccc(c(c1)O)N 62a_100000739049_100000766300 [1,0,0,0,0,0|3,0,0]=4 445 B12R1.385 COCSc1ccc(c(c1)O)N 62a_100000766300_100000739049 [1,0,0,0,0,0|3,0,0]=4 446 B12R1.385 COCSc1ccc(c(c1)O)O 62a_100000766300_100009813601 [1,0,0,0,0,0|2,0,0]=3 447 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200000210301 [1,0,0,0,0,0|3,0,0]=4 448 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_200000210301_100011713676 [1,0,0,0,0,0|3,0,0]=4 449 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_100012361305_200000210301 [1,0,0,0,0,0|3,0,0]=4 450 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_200000210301_100012361305 [1,0,0,0,0,0|3,0,0]=4 451 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_100000690553_200000210301 [1,0,0,0,0,0|3,0,0]=4 452 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_200000210301_100000690553 [1,0,0,0,0,0|3,0,0]=4 453 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [1,0,0,0,0,0|1,0,0]=2 454 B12R1.385 CSCNc1ccc(c(c1)Br)O 34a_100011534360_100011218213 [1,0,0,0,0,0|3,0,0]=4 455 B12R1.385 CSCNc1ccc(c(c1)C)O 34a_100011218179_100011218213 [1,0,0,0,0,0|3,0,0]=4 456 B12R1.385 CSCNc1ccc(c(c1)Cl)O 34a_100000744943_100011218213 [1,0,0,0,0,0|3,0,0]=4 457 B12R1.385 CSCNc1ccc(c(c1)F)O 34a_100011220035_100011218213 [1,0,0,0,0,0|3,0,0]=4 458 B12R1.385 CSCNc1ccc(c(c1)O)C 34a_100000759471_100011218213 [1,0,0,0,0,0|3,0,0]=4 459 B12R1.385 CSCNc1ccc(c(c1)O)Cl 34a_100011934209_100011218213 [1,0,0,0,0,0|3,0,0]=4 460 B12R1.385 CSCNc1ccc(c(c1)O)F 34a_100012017398_100011218213 [1,0,0,0,0,0|3,0,0]=4 461 B12R1.385 CSCNc1ccc(c(c1)O)O 34a_100102946323_100011218213 [1,0,0,0,0,0|2,0,0]=3 462 B12R1.385 CSCSc1ccc(c(c1)Br)O 62a_100011218213_100012361655 [1,0,0,0,0,0|3,0,0]=4 463 B12R1.385 CSCSc1ccc(c(c1)Br)O 62a_100012361655_100011218213 [1,0,0,0,0,0|3,0,0]=4 464 B12R1.385 CSCSc1ccc(c(c1)C)O 62a_100011218213_100000186361 [1,0,0,0,0,0|3,0,0]=4 465 B12R1.385 CSCSc1ccc(c(c1)Cl)O 62a_100011218213_100012360047 [1,0,0,0,0,0|3,0,0]=4 466 B12R1.385 CSCSc1ccc(c(c1)Cl)O 62a_100012360047_100011218213 [1,0,0,0,0,0|3,0,0]=4 467 B12R1.385 CSCSc1ccc(c(c1)F)O 62a_100000185481_100011218213 [1,0,0,0,0,0|3,0,0]=4 468 B12R1.385 CSCSc1ccc(c(c1)F)O 62a_100011218213_100000185481 [1,0,0,0,0,0|3,0,0]=4 469 B12R1.385 CSCSc1ccc(c(c1)N)O 62a_100000752626_100011218213 [1,0,0,0,0,0|3,0,0]=4 470 B12R1.385 CSCSc1ccc(c(c1)N)O 62a_100011218213_100000752626 [1,0,0,0,0,0|3,0,0]=4 471 B12R1.385 CSCSc1ccc(c(c1)O)Br 62a_100011218213_100012356990 [1,0,0,0,0,0|3,0,0]=4 472 B12R1.385 CSCSc1ccc(c(c1)O)Br 62a_100012356990_100011218213 [1,0,0,0,0,0|3,0,0]=4 473 B12R1.385 CSCSc1ccc(c(c1)O)C 62a_100000685420_100011218213 [1,0,0,0,0,0|3,0,0]=4 474 B12R1.385 CSCSc1ccc(c(c1)O)C 62a_100011218213_100000685420 [1,0,0,0,0,0|3,0,0]=4 475 B12R1.385 CSCSc1ccc(c(c1)O)Cl 62a_100011218213_100011356854 [1,0,0,0,0,0|3,0,0]=4 476 B12R1.385 CSCSc1ccc(c(c1)O)Cl 62a_100011356854_100011218213 [1,0,0,0,0,0|3,0,0]=4 477 B12R1.385 CSCSc1ccc(c(c1)O)F 62a_100000686035_100011218213 [1,0,0,0,0,0|3,0,0]=4 478 B12R1.385 CSCSc1ccc(c(c1)O)F 62a_100011218213_100000686035 [1,0,0,0,0,0|3,0,0]=4 479 B12R1.385 CSCSc1ccc(c(c1)O)N 62a_100000739049_100011218213 [1,0,0,0,0,0|3,0,0]=4 480 B12R1.385 CSCSc1ccc(c(c1)O)N 62a_100011218213_100000739049 [1,0,0,0,0,0|3,0,0]=4 481 B12R1.385 CSCSc1ccc(c(c1)O)O 62a_100011218213_100009813601 [1,0,0,0,0,0|2,0,0]=3 482 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 2230a_100020591374_200025704644 [1,0,0,0,0,0|2,0,0]=3 483 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 34a_100020591374_200025704644 [1,0,0,0,0,0|2,0,0]=3 484 B12R1.385 N#CCSc1ccc(c(c1)O)O 62a_100011215382_100009813601 [1,0,0,0,0,0|3,0,0]=4 485 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [1,0,0,0,0,0|3,0,0]=4 486 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [1,0,0,0,0,0|3,0,0]=4 487 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [1,0,0,0,0,0|3,0,0]=4 488 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [1,0,0,0,0,0|3,0,0]=4 489 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [1,0,0,0,0,0|3,0,0]=4 490 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [1,0,0,0,0,0|3,0,0]=4 491 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [1,0,0,0,0,0|3,0,0]=4 492 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200025704644 [1,0,0,0,0,0|2,0,0]=3 493 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200025704644 [1,0,0,0,0,0|2,0,0]=3 494 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 2230a_200011997520_200025704644 [1,0,0,0,0,0|2,0,0]=3 495 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 34a_200011997520_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 2230a_200000706328_200025704644 [1,0,0,0,0,0|2,0,0]=3 497 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 34a_200000706328_200025704644 [1,0,0,0,0,0|2,0,0]=3 498 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [1,0,0,0,0,0|0,0,0]=1 499 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200025704644 [1,0,0,0,0,0|3,0,0]=4 500 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200025704644 [1,0,0,0,0,0|3,0,0]=4 501 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 34a_100011830478_200025704644 [1,0,0,0,0,0|3,0,0]=4 502 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 7a_100011830478_200025704644 [1,0,0,0,0,0|3,0,0]=4 503 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 34a_100012921202_200025704644 [1,0,0,0,0,0|3,0,0]=4 504 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 7a_100012921202_200025704644 [1,0,0,0,0,0|3,0,0]=4 505 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 34a_100011934464_200025704644 [1,0,0,0,0,0|3,0,0]=4 506 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 7a_100011934464_200025704644 [1,0,0,0,0,0|3,0,0]=4 507 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 34a_100000690376_200025704644 [1,0,0,0,0,0|3,0,0]=4 508 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 7a_100000690376_200025704644 [1,0,0,0,0,0|3,0,0]=4 509 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200025704644 [1,0,0,0,0,0|3,0,0]=4 510 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_200025704644_100011713676 [1,0,0,0,0,0|3,0,0]=4 511 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_100012361305_200025704644 [1,0,0,0,0,0|3,0,0]=4 512 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_200025704644_100012361305 [1,0,0,0,0,0|3,0,0]=4 513 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_100000690553_200025704644 [1,0,0,0,0,0|3,0,0]=4 514 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_200025704644_100000690553 [1,0,0,0,0,0|3,0,0]=4 515 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [1,0,0,0,0,0|1,0,0]=2 516 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210303 [0,1,0,0,0,0|1,0,2]=4 517 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 34a_100102657272_100010262812 [0,1,0,0,0,0|0,0,2]=3 518 B14R1.626 CNCC(=O)c1ccc(c(c1)CO)O 7a_106832991635_100010262812 [0,1,0,0,0,0|0,0,2]=3 519 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 2230a_106832991635_200010710740 [0,1,0,0,0,0|1,0,2]=4 520 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 34a_100102657272_200010710740 [0,1,0,0,0,0|1,0,2]=4 521 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 2230a_106832991635_200012348595 [0,1,0,0,0,0|1,0,2]=4 522 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 34a_100102657272_200012348595 [0,1,0,0,0,0|1,0,2]=4 523 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 7a_106832991635_200012348595 [0,1,0,0,0,0|1,0,2]=4 524 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,1,0,0,0,0|0,0,2]=3 525 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)O 22a_100016993582_100000687070 [0,1,0,0,0,0|1,0,2]=4 526 B14R1.626 COCC(=O)c1ccc(c(c1)CO)O 34a_100138415774_100010262812 [0,1,0,0,0,0|1,0,2]=4 527 B14R1.626 COC[C@@H](N)c1ccc(c(c1)OC)F 34a_100138412295_200000210301 [0,1,0,0,0,0|3,0,0]=4 528 B14R1.626 COc1cc(ccc1F)[C@H](N)CO[13CH3] 34a_100138412295_200025704644 [0,1,0,0,0,0|3,0,0]=4 529 B14R1.626 COc1cc(ccc1O)C(=O)CSC 62a_100010206313_200000210301 [0,1,0,0,0,0|1,0,2]=4 530 B14R1.626 COc1cc(ccc1O)C(=O)CS[13CH3] 62a_100010206313_200025704644 [0,1,0,0,0,0|1,0,2]=4 531 B14R1.626 CSCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_200000210301 [0,1,0,0,0,0|1,0,2]=4 532 B14R1.626 CSCC(=O)c1ccc(c(c1)CO)O 62a_200000210301_100010262812 [0,1,0,0,0,0|1,0,2]=4 533 B14R1.626 [13CH3]SCC(=O)c1ccc(c(c1)CO)O 62a_100010262812_200025704644 [0,1,0,0,0,0|1,0,2]=4 534 B14R1.626 [13CH3]SCC(=O)c1ccc(c(c1)CO)O 62a_200025704644_100010262812 [0,1,0,0,0,0|1,0,2]=4 535 B14R1.628 CCCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210303 [0,1,0,0,0,0|1,0,2]=4 536 B14R1.628 CCNC(C)c1ccc(c(c1)O)OC 269862a_100015525214_100000732934 [0,1,0,0,0,0|3,0,0]=4 537 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 2230a_106832991635_100000185116 [0,1,0,0,0,0|1,0,2]=4 538 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 34a_100102657272_100011262385 [0,1,0,0,0,0|1,0,2]=4 539 B14R1.628 CNCC(=O)c1ccc(c(c1)Br)OC 7a_106832991635_100000185116 [0,1,0,0,0,0|1,0,2]=4 540 B14R1.628 CNCC(=O)c1ccc(c(c1)Cl)OC 2230a_106832991635_100000198526 [0,1,0,0,0,0|1,0,2]=4 541 B14R1.628 CNCC(=O)c1ccc(c(c1)Cl)OC 7a_106832991635_100000198526 [0,1,0,0,0,0|1,0,2]=4 542 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 2230a_106832991635_100000195436 [0,1,0,0,0,0|1,0,2]=4 543 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 34a_100102657272_100000195436 [0,1,0,0,0,0|1,0,2]=4 544 B14R1.628 CNCC(=O)c1ccc(c(c1)F)OC 7a_106832991635_100000195436 [0,1,0,0,0,0|1,0,2]=4 545 B14R1.628 CNNC(=O)c1ccc(c(c1)O)OC 22a_100016993582_100000766810 [0,1,0,0,0,0|1,0,2]=4 546 B14R1.685 C=C(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000748629 [0,1,0,0,0,0|1,0,2]=4 547 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000070787_100000183813 [0,1,0,0,0,0|1,0,2]=4 548 B14R1.685 CC(=O)C[C@@H](O)c1ccc(c(c1)F)F 1458a_100000070787_100000761251 [0,1,0,0,0,0|3,0,0]=4 549 B14R1.685 CC(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210624 [0,1,0,0,0,0|1,0,2]=4 550 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Br)O 271570a_100015190218_100012361655 [0,1,0,0,0,0|3,0,0]=4 551 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)Cl)O 271570a_100015190218_100012360047 [0,1,0,0,0,0|3,0,0]=4 552 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)F)O 271570a_100015190218_100000185481 [0,1,0,0,0,0|3,0,0]=4 553 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)N)O 271570a_100015190218_100000752626 [0,1,0,0,0,0|3,0,0]=4 554 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)Br 271570a_100015190218_100012356990 [0,1,0,0,0,0|3,0,0]=4 555 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)Cl 271570a_100015190218_100011356854 [0,1,0,0,0,0|3,0,0]=4 556 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)F 271570a_100015190218_100000686035 [0,1,0,0,0,0|3,0,0]=4 557 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)N 271570a_100015190218_100000739049 [0,1,0,0,0,0|3,0,0]=4 558 B14R1.685 CC(C)C[C@H](N)c1ccc(c(c1)O)O 271570a_100015190218_100009813601 [0,1,0,0,0,0|2,0,0]=3 559 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011218427 [0,1,0,0,0,0|1,0,2]=4 560 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)Cl)O 269982a_100102631434_200010170092 [0,1,0,0,0,0|1,0,2]=4 561 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100102631434_100000183813 [0,1,0,0,0,0|0,0,2]=3 562 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100102631434_100000761251 [0,1,0,0,0,0|2,0,0]=3 563 B14R1.685 CN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100102631434_100000761251 [0,1,0,0,0,0|2,0,0]=3 564 B14R1.685 Cc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000186361 [0,1,0,0,0,0|3,0,0]=4 565 B14R1.685 Cc1ccc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000766334 [0,1,0,0,0,0|3,0,0]=4 566 B14R1.941 C/C=C/CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100102629194 [0,1,0,0,0,0|1,0,2]=4 567 B14R1.941 CC#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000748600 [0,1,0,0,0,0|1,0,2]=4 568 B14R1.941 CC=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000070051 [0,1,0,0,0,0|1,0,2]=4 569 B14R1.941 CCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210211 [0,1,0,0,0,0|1,0,2]=4 570 B14R1.941 CCCNC(C)c1ccc(c(c1)Br)O 269862a_100020643023_100011772453 [0,1,0,0,0,0|3,0,0]=4 571 B14R1.941 CCCNC(C)c1ccc(c(c1)C)O 269862a_100020643023_100000188726 [0,1,0,0,0,0|3,0,0]=4 572 B14R1.941 CCCNC(C)c1ccc(c(c1)Cl)O 269862a_100020643023_100000188625 [0,1,0,0,0,0|3,0,0]=4 573 B14R1.941 CCCNC(C)c1ccc(c(c1)F)O 269862a_100020643023_100000751691 [0,1,0,0,0,0|3,0,0]=4 574 B14R1.941 CCCNC(C)c1ccc(c(c1)O)C 269862a_100020643023_100000084092 [0,1,0,0,0,0|3,0,0]=4 575 B14R1.941 CCCNC(C)c1ccc(c(c1)O)F 269862a_100020643023_100000117923 [0,1,0,0,0,0|3,0,0]=4 576 B14R1.941 CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210202 [0,1,0,0,0,0|0,0,0]=1 577 B14R1.941 CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100015525214_100000761251 [0,1,0,0,0,0|2,0,0]=3 578 B14R1.941 CCNN=C(C)c1ccc(c(c1)O)O 4a_100000756455_100000025746 [0,1,0,0,0,0|2,0,1]=4 579 B14R1.941 CCOC[C@@H](O)c1ccc(c(c1)F)F 34a_100121572206_100000761251 [0,1,0,0,0,0|3,0,0]=4 580 B14R1.941 CCSCC(=O)c1ccc(c(c1)O)O 62a_100000210202_100000183813 [0,1,0,0,0,0|1,0,2]=4 581 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000210202_100000761251 [0,1,0,0,0,0|3,0,0]=4 582 B14R1.941 CCSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_100000210202 [0,1,0,0,0,0|3,0,0]=4 583 B14R1.941 COCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000233755 [0,1,0,0,0,0|1,0,2]=4 584 B14R1.941 CSCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000751147 [0,1,0,0,0,0|1,0,2]=4 585 B14R1.941 O=C(CCCF)c1ccc(c(c1)O)O 1458a_100000212155_100011934791 [0,1,0,0,0,0|1,0,2]=4 586 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)O 1458a_100000212155_100011215043 [0,1,0,0,0,0|1,0,2]=4 587 B14R1.941 O=C(CSCF)c1ccc(c(c1)O)O 62a_100015361967_100000183813 [0,1,0,0,0,0|1,0,2]=4 588 B14R1.941 O[C@H](CSCF)c1ccc(c(c1)F)F 62a_100000761251_100015361967 [0,1,0,0,0,0|3,0,0]=4 589 B14R1.941 O[C@H](CSCF)c1ccc(c(c1)F)F 62a_100015361967_100000761251 [0,1,0,0,0,0|3,0,0]=4 590 B14R1.941 Oc1ccc(cc1O)C(O)CNCF 34a_100000106456_100015361967 [0,1,0,0,0,0|0,0,0]=1 591 B14R1.1003 CCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210202 [0,1,0,0,0,0|1,0,1]=3 592 B14R1.1003 CCC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000758301 [0,1,0,0,0,0|1,0,2]=4 593 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)F)F 240690a_100102657272_100011217530 [0,1,0,0,0,0|2,0,1]=4 594 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100102657272_200000032065 [0,1,0,0,0,0|0,0,1]=2 595 B14R1.1003 O=C(CF)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100015361967 [0,1,0,0,0,0|2,0,1]=4 596 B14R1.3190 CC(C)(CN[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000747966_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.3190 CC(C)(CN[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000747966_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B14R1.3190 CNCC(C)(C)c1ccc(c(c1)Cl)Cl 2230a_100000747966_200000210301 [0,1,0,0,0,0|3,0,0]=4 599 B14R1.3190 CNCC(C)(C)c1ccc(c(c1)Cl)Cl 34a_100000747966_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210303 [0,1,0,0,0,0|1,0,2]=4 601 B14R1.6821 CCCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210303 [0,1,0,0,0,0|1,0,2]=4 602 B14R1.6821 CCCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210303 [0,1,0,0,0,0|1,0,2]=4 603 B14R1.6821 CNNC(=O)c1cc(c(c(c1)Br)O)O 22a_100016993582_200009992764 [0,1,0,0,0,0|1,0,2]=4 604 B14R1.6821 CNNC(=O)c1cc(c(c(c1)Cl)O)O 22a_100016993582_200000078382 [0,1,0,0,0,0|1,0,2]=4 605 B14R1.6821 CNNC(=O)c1cc(c(c(c1)O)O)O 22a_100016993582_100000212154 [0,1,0,0,0,0|1,0,2]=4 606 B14R1.7265 CCCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210303 [0,1,0,0,0,0|1,0,2]=4 607 B14R1.7265 CCCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210303 [0,1,0,0,0,0|1,0,2]=4 608 B14R1.7265 CNNC(=O)c1ccc(c(c1Cl)O)O 22a_100016993582_100009910189 [0,1,0,0,0,0|1,0,2]=4 609 B14R2.70 Oc1cc(ccc1F)C2OCCO2 271570a_203496583355_100010165081 [0,0,0,1,0,0|3,0,0]=4 610 B14R2.70 Oc1ccc(cc1F)C2OCCO2 271570a_203496583355_100021390413 [0,0,0,1,0,0|3,0,0]=4 611 B14R2.70 Oc1ccc(cc1O)C2=CCCC2 271570a_100000089523_100009813601 [0,0,0,1,0,0|2,0,1]=4 612 B14R2.70 Oc1ccc(cc1O)C2=CCOC2 271570a_100009872500_100009813601 [0,0,0,1,0,0|2,0,1]=4 613 B14R2.954 C=C(c1ccc(c(c1)O)O)C2CC2 271570a_100010895485_100009813601 [0,0,0,1,0,0|2,0,1]=4 614 B14R2.4272 CN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_200000210301 [0,0,0,1,0,0|3,0,0]=4 615 B14R2.4272 CN[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_200000210301 [0,0,0,1,0,0|3,0,0]=4 616 B14R2.4272 [13CH3]N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 2230a_200009817314_200025704644 [0,0,0,1,0,0|3,0,0]=4 617 B14R2.4272 [13CH3]N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 34a_200009817314_200025704644 [0,0,0,1,0,0|3,0,0]=4 618 B14R1.967 CC(CC#N)Sc1ccc(c(c1)O)O 62a_100009813641_100009813601 [0,0,0,0,0,1|3,0,0]=4 619 B14R1.967 CC(CCO)Nc1ccc(c(c1)O)O 34a_100102946323_100009893172 [0,0,0,0,0,1|3,0,0]=4 620 B14R1.967 CC(CCO)Sc1ccc(c(c1)O)O 62a_100009893172_100009813601 [0,0,0,0,0,1|3,0,0]=4 621 B14R1.967 CCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210303 [0,0,0,0,0,1|1,0,2]=4 622 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000211992 [0,0,0,0,0,1|1,0,2]=4 623 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000211992 [0,0,0,0,0,1|1,0,2]=4 624 B14R1.967 CCCC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000766640 [0,0,0,0,0,1|3,0,0]=4 625 B14R1.967 CCCC(C)Nc1ccc(c(c1)C)O 34a_100011218179_100000766640 [0,0,0,0,0,1|3,0,0]=4 626 B14R1.967 CCCC(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000766640 [0,0,0,0,0,1|3,0,0]=4 627 B14R1.967 CCCC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100000766640 [0,0,0,0,0,1|3,0,0]=4 628 B14R1.967 CCCC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100000766640 [0,0,0,0,0,1|3,0,0]=4 629 B14R1.967 CCCC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000766640 [0,0,0,0,0,1|3,0,0]=4 630 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)C 34a_100000759471_100000766640 [0,0,0,0,0,1|3,0,0]=4 631 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000766640 [0,0,0,0,0,1|3,0,0]=4 632 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100000766640 [0,0,0,0,0,1|3,0,0]=4 633 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)F 34a_100012017398_100000766640 [0,0,0,0,0,1|3,0,0]=4 634 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000766640 [0,0,0,0,0,1|3,0,0]=4 635 B14R1.967 CCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000766640 [0,0,0,0,0,1|2,0,0]=3 636 B14R1.967 CCCC(C)Sc1ccc(c(c1)Br)O 62a_100000766640_100012361655 [0,0,0,0,0,1|3,0,0]=4 637 B14R1.967 CCCC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000766640 [0,0,0,0,0,1|3,0,0]=4 638 B14R1.967 CCCC(C)Sc1ccc(c(c1)C)O 62a_100000766640_100000186361 [0,0,0,0,0,1|3,0,0]=4 639 B14R1.967 CCCC(C)Sc1ccc(c(c1)Cl)O 62a_100000766640_100012360047 [0,0,0,0,0,1|3,0,0]=4 640 B14R1.967 CCCC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000766640 [0,0,0,0,0,1|3,0,0]=4 641 B14R1.967 CCCC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100000766640 [0,0,0,0,0,1|3,0,0]=4 642 B14R1.967 CCCC(C)Sc1ccc(c(c1)F)O 62a_100000766640_100000185481 [0,0,0,0,0,1|3,0,0]=4 643 B14R1.967 CCCC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100000766640 [0,0,0,0,0,1|3,0,0]=4 644 B14R1.967 CCCC(C)Sc1ccc(c(c1)N)O 62a_100000766640_100000752626 [0,0,0,0,0,1|3,0,0]=4 645 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Br 62a_100000766640_100012356990 [0,0,0,0,0,1|3,0,0]=4 646 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100000766640 [0,0,0,0,0,1|3,0,0]=4 647 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100000766640 [0,0,0,0,0,1|3,0,0]=4 648 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)C 62a_100000766640_100000685420 [0,0,0,0,0,1|3,0,0]=4 649 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Cl 62a_100000766640_100011356854 [0,0,0,0,0,1|3,0,0]=4 650 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000766640 [0,0,0,0,0,1|3,0,0]=4 651 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100000766640 [0,0,0,0,0,1|3,0,0]=4 652 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)F 62a_100000766640_100000686035 [0,0,0,0,0,1|3,0,0]=4 653 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100000766640 [0,0,0,0,0,1|3,0,0]=4 654 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)N 62a_100000766640_100000739049 [0,0,0,0,0,1|3,0,0]=4 655 B14R1.967 CCCC(C)Sc1ccc(c(c1)O)O 62a_100000766640_100009813601 [0,0,0,0,0,1|2,0,0]=3 656 B14R1.967 CNNC(=O)Cc1ccc(c(c1)O)O 22a_100016993582_100000031429 [0,0,0,0,0,1|1,0,2]=4 657 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210968 [0,0,0,0,0,1|1,0,2]=4 658 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210968 [0,0,0,0,0,1|1,0,2]=4 659 B14R1.967 COCC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000765312 [0,0,0,0,0,1|3,0,0]=4 660 B14R1.967 COCC(C)Nc1ccc(c(c1)C)O 34a_100011218179_100000765312 [0,0,0,0,0,1|3,0,0]=4 661 B14R1.967 COCC(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000765312 [0,0,0,0,0,1|3,0,0]=4 662 B14R1.967 COCC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100000765312 [0,0,0,0,0,1|3,0,0]=4 663 B14R1.967 COCC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100000765312 [0,0,0,0,0,1|3,0,0]=4 664 B14R1.967 COCC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000765312 [0,0,0,0,0,1|3,0,0]=4 665 B14R1.967 COCC(C)Nc1ccc(c(c1)O)C 34a_100000759471_100000765312 [0,0,0,0,0,1|3,0,0]=4 666 B14R1.967 COCC(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000765312 [0,0,0,0,0,1|3,0,0]=4 667 B14R1.967 COCC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100000765312 [0,0,0,0,0,1|3,0,0]=4 668 B14R1.967 COCC(C)Nc1ccc(c(c1)O)F 34a_100012017398_100000765312 [0,0,0,0,0,1|3,0,0]=4 669 B14R1.967 COCC(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000765312 [0,0,0,0,0,1|3,0,0]=4 670 B14R1.967 COCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000765312 [0,0,0,0,0,1|2,0,0]=3 671 B14R1.967 COCC(C)Sc1ccc(c(c1)Br)O 62a_100000765312_100012361655 [0,0,0,0,0,1|3,0,0]=4 672 B14R1.967 COCC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000765312 [0,0,0,0,0,1|3,0,0]=4 673 B14R1.967 COCC(C)Sc1ccc(c(c1)C)O 62a_100000765312_100000186361 [0,0,0,0,0,1|3,0,0]=4 674 B14R1.967 COCC(C)Sc1ccc(c(c1)Cl)O 62a_100000765312_100012360047 [0,0,0,0,0,1|3,0,0]=4 675 B14R1.967 COCC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000765312 [0,0,0,0,0,1|3,0,0]=4 676 B14R1.967 COCC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100000765312 [0,0,0,0,0,1|3,0,0]=4 677 B14R1.967 COCC(C)Sc1ccc(c(c1)F)O 62a_100000765312_100000185481 [0,0,0,0,0,1|3,0,0]=4 678 B14R1.967 COCC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100000765312 [0,0,0,0,0,1|3,0,0]=4 679 B14R1.967 COCC(C)Sc1ccc(c(c1)N)O 62a_100000765312_100000752626 [0,0,0,0,0,1|3,0,0]=4 680 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Br 62a_100000765312_100012356990 [0,0,0,0,0,1|3,0,0]=4 681 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100000765312 [0,0,0,0,0,1|3,0,0]=4 682 B14R1.967 COCC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100000765312 [0,0,0,0,0,1|3,0,0]=4 683 B14R1.967 COCC(C)Sc1ccc(c(c1)O)C 62a_100000765312_100000685420 [0,0,0,0,0,1|3,0,0]=4 684 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Cl 62a_100000765312_100011356854 [0,0,0,0,0,1|3,0,0]=4 685 B14R1.967 COCC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000765312 [0,0,0,0,0,1|3,0,0]=4 686 B14R1.967 COCC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100000765312 [0,0,0,0,0,1|3,0,0]=4 687 B14R1.967 COCC(C)Sc1ccc(c(c1)O)F 62a_100000765312_100000686035 [0,0,0,0,0,1|3,0,0]=4 688 B14R1.967 COCC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100000765312 [0,0,0,0,0,1|3,0,0]=4 689 B14R1.967 COCC(C)Sc1ccc(c(c1)O)N 62a_100000765312_100000739049 [0,0,0,0,0,1|3,0,0]=4 690 B14R1.967 COCC(C)Sc1ccc(c(c1)O)O 62a_100000765312_100009813601 [0,0,0,0,0,1|2,0,0]=3 691 B14R1.967 CSCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000184570 [0,0,0,0,0,1|1,0,2]=4 692 B14R1.967 CSCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000184570 [0,0,0,0,0,1|1,0,2]=4 693 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [2,0,0,0,0,0|2,0,0]=4 694 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [2,0,0,0,0,0|2,0,0]=4 695 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [2,0,0,0,0,0|2,0,0]=4 696 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [2,0,0,0,0,0|2,0,0]=4 697 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [2,0,0,0,0,0|2,0,0]=4 698 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [2,0,0,0,0,0|1,0,0]=3 699 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [2,0,0,0,0,0|1,0,0]=3 700 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [2,0,0,0,0,0|2,0,0]=4 701 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [2,0,0,0,0,0|2,0,0]=4 702 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [2,0,0,0,0,0|2,0,0]=4 703 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [2,0,0,0,0,0|2,0,0]=4 704 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [2,0,0,0,0,0|2,0,0]=4 705 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [2,0,0,0,0,0|2,0,0]=4 706 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [2,0,0,0,0,0|2,0,0]=4 707 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [2,0,0,0,0,0|2,0,0]=4 708 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [2,0,0,0,0,0|1,0,0]=3 709 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [2,0,0,0,0,0|1,0,0]=3 710 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [2,0,0,0,0,0|1,0,0]=3 711 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [2,0,0,0,0,0|1,0,0]=3 712 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [2,0,0,0,0,0|1,0,0]=3 713 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [2,0,0,0,0,0|1,0,0]=3 714 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [2,0,0,0,0,0|1,0,0]=3 715 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [2,0,0,0,0,0|1,0,0]=3 716 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [2,0,0,0,0,0|1,0,0]=3 717 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [2,0,0,0,0,0|1,0,0]=3 718 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [2,0,0,0,0,0|1,0,0]=3 719 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [2,0,0,0,0,0|1,0,0]=3 720 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [2,0,0,0,0,0|1,0,0]=3 721 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [2,0,0,0,0,0|1,0,0]=3 722 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [2,0,0,0,0,0|1,0,0]=3 723 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [2,0,0,0,0,0|1,0,0]=3 724 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [2,0,0,0,0,0|1,0,0]=3 725 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [2,0,0,0,0,0|1,0,0]=3 726 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [2,0,0,0,0,0|1,0,0]=3 727 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [2,0,0,0,0,0|1,0,0]=3 728 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [2,0,0,0,0,0|0,0,0]=2 729 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [2,0,0,0,0,0|0,0,0]=2 730 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [2,0,0,0,0,0|0,0,0]=2 731 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [2,0,0,0,0,0|0,0,0]=2 732 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [2,0,0,0,0,0|2,0,0]=4 733 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [2,0,0,0,0,0|2,0,0]=4 734 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [2,0,0,0,0,0|2,0,0]=4 735 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [2,0,0,0,0,0|2,0,0]=4 736 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [2,0,0,0,0,0|2,0,0]=4 737 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [2,0,0,0,0,0|2,0,0]=4 738 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [2,0,0,0,0,0|2,0,0]=4 739 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [2,0,0,0,0,0|2,0,0]=4 740 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [2,0,0,0,0,0|2,0,0]=4 741 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [2,0,0,0,0,0|2,0,0]=4 742 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [2,0,0,0,0,0|2,0,0]=4 743 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [2,0,0,0,0,0|2,0,0]=4 744 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [2,0,0,0,0,0|2,0,0]=4 745 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [2,0,0,0,0,0|2,0,0]=4 746 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [2,0,0,0,0,0|2,0,0]=4 747 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [2,0,0,0,0,0|1,0,0]=3 748 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [2,0,0,0,0,0|2,0,0]=4 749 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [2,0,0,0,0,0|2,0,0]=4 750 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [2,0,0,0,0,0|2,0,0]=4 751 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [2,0,0,0,0,0|2,0,0]=4 752 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [2,0,0,0,0,0|2,0,0]=4 753 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [2,0,0,0,0,0|2,0,0]=4 754 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [2,0,0,0,0,0|2,0,0]=4 755 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [2,0,0,0,0,0|2,0,0]=4 756 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [2,0,0,0,0,0|2,0,0]=4 757 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [2,0,0,0,0,0|2,0,0]=4 758 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [2,0,0,0,0,0|1,0,0]=3 759 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [2,0,0,0,0,0|1,0,0]=3 760 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [2,0,0,0,0,0|2,0,0]=4 761 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [2,0,0,0,0,0|2,0,0]=4 762 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [2,0,0,0,0,0|1,0,0]=3 763 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [2,0,0,0,0,0|1,0,0]=3 764 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [2,0,0,0,0,0|2,0,0]=4 765 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [2,0,0,0,0,0|2,0,0]=4 766 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [2,0,0,0,0,0|2,0,0]=4 767 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [2,0,0,0,0,0|2,0,0]=4 768 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [2,0,0,0,0,0|2,0,0]=4 769 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [2,0,0,0,0,0|2,0,0]=4 770 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [2,0,0,0,0,0|2,0,0]=4 771 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [2,0,0,0,0,0|2,0,0]=4 772 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [2,0,0,0,0,0|1,0,0]=3 773 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [2,0,0,0,0,0|1,0,0]=3 774 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [2,0,0,0,0,0|1,0,0]=3 775 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [2,0,0,0,0,0|1,0,0]=3 776 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [2,0,0,0,0,0|1,0,0]=3 777 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [2,0,0,0,0,0|1,0,0]=3 778 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [2,0,0,0,0,0|0,0,0]=2 779 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [2,0,0,0,0,0|2,0,0]=4 780 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [2,0,0,0,0,0|2,0,0]=4 781 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [2,0,0,0,0,0|2,0,0]=4 782 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [2,0,0,0,0,0|2,0,0]=4 783 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [2,0,0,0,0,0|2,0,0]=4 784 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [2,0,0,0,0,0|2,0,0]=4 785 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [2,0,0,0,0,0|2,0,0]=4 786 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [2,0,0,0,0,0|2,0,0]=4 787 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [2,0,0,0,0,0|2,0,0]=4 788 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [2,0,0,0,0,0|2,0,0]=4 789 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [2,0,0,0,0,0|2,0,0]=4 790 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [2,0,0,0,0,0|2,0,0]=4 791 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [2,0,0,0,0,0|2,0,0]=4 792 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [2,0,0,0,0,0|2,0,0]=4 793 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [2,0,0,0,0,0|2,0,0]=4 794 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [2,0,0,0,0,0|1,0,0]=3 795 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [2,0,0,0,0,0|1,0,0]=3 796 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [2,0,0,0,0,0|1,0,0]=3 797 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [2,0,0,0,0,0|1,0,0]=3 798 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [2,0,0,0,0,0|2,0,0]=4 799 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [2,0,0,0,0,0|2,0,0]=4 800 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [2,0,0,0,0,0|2,0,0]=4 801 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [2,0,0,0,0,0|2,0,0]=4 802 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [2,0,0,0,0,0|0,0,2]=4 803 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [2,0,0,0,0,0|1,0,0]=3 804 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [2,0,0,0,0,0|1,0,0]=3 805 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [2,0,0,0,0,0|1,0,0]=3 806 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [2,0,0,0,0,0|1,0,0]=3 807 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [2,0,0,0,0,0|1,0,0]=3 808 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [2,0,0,0,0,0|1,0,0]=3 809 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [2,0,0,0,0,0|0,0,0]=2 810 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [2,0,0,0,0,0|0,0,0]=2 811 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [2,0,0,0,0,0|0,0,0]=2 812 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [2,0,0,0,0,0|0,0,0]=2 813 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [2,0,0,0,0,0|1,0,0]=3 814 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [2,0,0,0,0,0|1,0,0]=3 815 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [2,0,0,0,0,0|0,0,0]=2 816 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [2,0,0,0,0,0|0,0,0]=2 817 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [2,0,0,0,0,0|0,0,0]=2 818 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [2,0,0,0,0,0|2,0,0]=4 819 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [2,0,0,0,0,0|2,0,0]=4 820 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [2,0,0,0,0,0|2,0,0]=4 821 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [2,0,0,0,0,0|1,0,0]=3 822 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [2,0,0,0,0,0|2,0,0]=4 823 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [2,0,0,0,0,0|1,0,0]=3 824 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [2,0,0,0,0,0|2,0,0]=4 825 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [2,0,0,0,0,0|2,0,0]=4 826 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [2,0,0,0,0,0|1,0,0]=3 827 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [2,0,0,0,0,0|1,0,0]=3 828 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [2,0,0,0,0,0|1,0,0]=3 829 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [2,0,0,0,0,0|1,0,0]=3 830 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [2,0,0,0,0,0|0,0,0]=2 831 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [2,0,0,0,0,0|1,0,0]=3 832 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [2,0,0,0,0,0|1,0,0]=3 833 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [2,0,0,0,0,0|2,0,0]=4 834 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [2,0,0,0,0,0|1,0,0]=3 835 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [2,0,0,0,0,0|1,0,0]=3 836 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [2,0,0,0,0,0|1,0,0]=3 837 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [2,0,0,0,0,0|1,0,0]=3 838 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [2,0,0,0,0,0|0,0,2]=4 839 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [2,0,0,0,0,0|0,0,2]=4 840 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [2,0,0,0,0,0|1,0,0]=3 841 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [2,0,0,0,0,0|0,0,0]=2 842 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [2,0,0,0,0,0|2,0,0]=4 843 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [2,0,0,0,0,0|2,0,0]=4 844 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [2,0,0,0,0,0|2,0,0]=4 845 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [2,0,0,0,0,0|2,0,0]=4 846 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [2,0,0,0,0,0|2,0,0]=4 847 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [2,0,0,0,0,0|2,0,0]=4 848 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [2,0,0,0,0,0|2,0,0]=4 849 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [2,0,0,0,0,0|2,0,0]=4 850 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [2,0,0,0,0,0|1,0,0]=3 851 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [2,0,0,0,0,0|0,0,2]=4 852 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [2,0,0,0,0,0|0,0,2]=4 853 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [2,0,0,0,0,0|0,0,2]=4 854 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [2,0,0,0,0,0|2,0,0]=4 855 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [2,0,0,0,0,0|2,0,0]=4 856 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [2,0,0,0,0,0|2,0,0]=4 857 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [2,0,0,0,0,0|2,0,0]=4 858 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [2,0,0,0,0,0|2,0,0]=4 859 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [2,0,0,0,0,0|2,0,0]=4 860 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [2,0,0,0,0,0|2,0,0]=4 861 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [2,0,0,0,0,0|2,0,0]=4 862 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [2,0,0,0,0,0|2,0,0]=4 863 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [2,0,0,0,0,0|2,0,0]=4 864 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [2,0,0,0,0,0|2,0,0]=4 865 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [2,0,0,0,0,0|2,0,0]=4 866 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [2,0,0,0,0,0|2,0,0]=4 867 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [2,0,0,0,0,0|2,0,0]=4 868 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [2,0,0,0,0,0|2,0,0]=4 869 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [2,0,0,0,0,0|1,0,0]=3 870 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [2,0,0,0,0,0|2,0,0]=4 871 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [2,0,0,0,0,0|2,0,0]=4 872 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [2,0,0,0,0,0|2,0,0]=4 873 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [2,0,0,0,0,0|1,0,0]=3 874 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [2,0,0,0,0,0|2,0,0]=4 875 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [2,0,0,0,0,0|2,0,0]=4 876 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [2,0,0,0,0,0|2,0,0]=4 877 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [2,0,0,0,0,0|2,0,0]=4 878 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [2,0,0,0,0,0|2,0,0]=4 879 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [2,0,0,0,0,0|2,0,0]=4 880 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [2,0,0,0,0,0|2,0,0]=4 881 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [2,0,0,0,0,0|2,0,0]=4 882 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [2,0,0,0,0,0|2,0,0]=4 883 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [2,0,0,0,0,0|2,0,0]=4 884 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [2,0,0,0,0,0|2,0,0]=4 885 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [2,0,0,0,0,0|2,0,0]=4 886 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [2,0,0,0,0,0|1,0,0]=3 887 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [2,0,0,0,0,0|2,0,0]=4 888 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [2,0,0,0,0,0|2,0,0]=4 889 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [2,0,0,0,0,0|2,0,0]=4 890 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [2,0,0,0,0,0|0,0,2]=4 891 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [2,0,0,0,0,0|0,0,0]=2 892 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [2,0,0,0,0,0|1,0,0]=3 893 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [2,0,0,0,0,0|2,0,0]=4 894 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [2,0,0,0,0,0|2,0,0]=4 895 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [2,0,0,0,0,0|2,0,0]=4 896 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [2,0,0,0,0,0|1,0,0]=3 897 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [2,0,0,0,0,0|0,0,2]=4 898 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [2,0,0,0,0,0|0,0,2]=4 899 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [2,0,0,0,0,0|0,0,0]=2 900 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [2,0,0,0,0,0|2,0,0]=4 901 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [2,0,0,0,0,0|2,0,0]=4 902 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [2,0,0,0,0,0|2,0,0]=4 903 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [2,0,0,0,0,0|2,0,0]=4 904 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [2,0,0,0,0,0|2,0,0]=4 905 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [2,0,0,0,0,0|2,0,0]=4 906 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [2,0,0,0,0,0|2,0,0]=4 907 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [2,0,0,0,0,0|2,0,0]=4 908 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [2,0,0,0,0,0|2,0,0]=4 909 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [2,0,0,0,0,0|1,0,0]=3 910 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [2,0,0,0,0,0|0,0,2]=4 911 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [2,0,0,0,0,0|0,0,2]=4 912 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [2,0,0,0,0,0|0,0,2]=4 913 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [2,0,0,0,0,0|2,0,0]=4 914 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [2,0,0,0,0,0|2,0,0]=4 915 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [2,0,0,0,0,0|2,0,0]=4 916 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [2,0,0,0,0,0|2,0,0]=4 917 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [2,0,0,0,0,0|2,0,0]=4 918 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [2,0,0,0,0,0|2,0,0]=4 919 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [2,0,0,0,0,0|2,0,0]=4 920 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [2,0,0,0,0,0|2,0,0]=4 921 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [2,0,0,0,0,0|1,0,0]=3 922 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [2,0,0,0,0,0|1,0,0]=3 923 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [2,0,0,0,0,0|1,0,0]=3 924 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [2,0,0,0,0,0|2,0,0]=4 925 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [2,0,0,0,0,0|2,0,0]=4 926 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [2,0,0,0,0,0|2,0,0]=4 927 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [2,0,0,0,0,0|2,0,0]=4 928 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [2,0,0,0,0,0|2,0,0]=4 929 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [2,0,0,0,0,0|2,0,0]=4 930 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [2,0,0,0,0,0|2,0,0]=4 931 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [2,0,0,0,0,0|2,0,0]=4 932 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [2,0,0,0,0,0|2,0,0]=4 933 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [2,0,0,0,0,0|0,0,2]=4 934 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [2,0,0,0,0,0|2,0,0]=4 935 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [2,0,0,0,0,0|2,0,0]=4 936 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [2,0,0,0,0,0|2,0,0]=4 937 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [2,0,0,0,0,0|2,0,0]=4 938 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [2,0,0,0,0,0|2,0,0]=4 939 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [2,0,0,0,0,0|2,0,0]=4 940 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [2,0,0,0,0,0|1,0,0]=3 941 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [2,0,0,0,0,0|1,0,0]=3 942 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [2,0,0,0,0,0|1,1,0]=4 943 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [2,0,0,0,0,0|2,0,0]=4 944 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [2,0,0,0,0,0|2,0,0]=4 945 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [2,0,0,0,0,0|2,0,0]=4 946 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [2,0,0,0,0,0|2,0,0]=4 947 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [2,0,0,0,0,0|2,0,0]=4 948 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [2,0,0,0,0,0|2,0,0]=4 949 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [2,0,0,0,0,0|2,0,0]=4 950 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [2,0,0,0,0,0|2,0,0]=4 951 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [2,0,0,0,0,0|2,0,0]=4 952 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [2,0,0,0,0,0|2,0,0]=4 953 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [2,0,0,0,0,0|2,0,0]=4 954 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [2,0,0,0,0,0|2,0,0]=4 955 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [2,0,0,0,0,0|2,0,0]=4 956 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [2,0,0,0,0,0|2,0,0]=4 957 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [2,0,0,0,0,0|2,0,0]=4 958 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [2,0,0,0,0,0|1,0,0]=3 959 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [2,0,0,0,0,0|1,0,0]=3 960 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [2,0,0,0,0,0|1,0,0]=3 961 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [2,0,0,0,0,0|1,0,0]=3 962 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [2,0,0,0,0,0|1,0,0]=3 963 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [2,0,0,0,0,0|1,0,0]=3 964 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [2,0,0,0,0,0|1,0,0]=3 965 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [2,0,0,0,0,0|1,0,0]=3 966 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [2,0,0,0,0,0|1,0,0]=3 967 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [2,0,0,0,0,0|1,0,0]=3 968 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [2,0,0,0,0,0|1,0,0]=3 969 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [2,0,0,0,0,0|1,0,0]=3 970 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [2,0,0,0,0,0|1,0,0]=3 971 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [2,0,0,0,0,0|1,0,0]=3 972 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [2,0,0,0,0,0|1,0,0]=3 973 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [2,0,0,0,0,0|1,0,0]=3 974 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [2,0,0,0,0,0|1,0,0]=3 975 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [2,0,0,0,0,0|1,0,0]=3 976 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [2,0,0,0,0,0|1,0,0]=3 977 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [2,0,0,0,0,0|1,0,0]=3 978 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [2,0,0,0,0,0|0,0,0]=2 979 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [2,0,0,0,0,0|0,0,0]=2 980 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [2,0,0,0,0,0|2,0,0]=4 981 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [2,0,0,0,0,0|2,0,0]=4 982 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [2,0,0,0,0,0|2,0,0]=4 983 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [2,0,0,0,0,0|2,0,0]=4 984 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [2,0,0,0,0,0|2,0,0]=4 985 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [2,0,0,0,0,0|2,0,0]=4 986 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [2,0,0,0,0,0|2,0,0]=4 987 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [2,0,0,0,0,0|2,0,0]=4 988 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [2,0,0,0,0,0|2,0,0]=4 989 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [2,0,0,0,0,0|2,0,0]=4 990 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [2,0,0,0,0,0|2,0,0]=4 991 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [2,0,0,0,0,0|2,0,0]=4 992 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [2,0,0,0,0,0|2,0,0]=4 993 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [2,0,0,0,0,0|2,0,0]=4 994 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [2,0,0,0,0,0|2,0,0]=4 995 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [2,0,0,0,0,0|2,0,0]=4 996 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [2,0,0,0,0,0|2,0,0]=4 997 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [2,0,0,0,0,0|2,0,0]=4 998 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [2,0,0,0,0,0|2,0,0]=4 999 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [2,0,0,0,0,0|2,0,0]=4 1000 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [2,0,0,0,0,0|2,0,0]=4 1001 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [2,0,0,0,0,0|2,0,0]=4 1002 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [2,0,0,0,0,0|2,0,0]=4 1003 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [2,0,0,0,0,0|2,0,0]=4 1004 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [2,0,0,0,0,0|2,0,0]=4 1005 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [2,0,0,0,0,0|2,0,0]=4 1006 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [2,0,0,0,0,0|2,0,0]=4 1007 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [2,0,0,0,0,0|1,0,0]=3 1008 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [2,0,0,0,0,0|1,0,0]=3 1009 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [2,0,0,0,0,0|2,0,0]=4 1010 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [2,0,0,0,0,0|2,0,0]=4 1011 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [2,0,0,0,0,0|2,0,0]=4 1012 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [2,0,0,0,0,0|2,0,0]=4 1013 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [2,0,0,0,0,0|2,0,0]=4 1014 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [2,0,0,0,0,0|2,0,0]=4 1015 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [2,0,0,0,0,0|2,0,0]=4 1016 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [2,0,0,0,0,0|2,0,0]=4 1017 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [2,0,0,0,0,0|2,0,0]=4 1018 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [2,0,0,0,0,0|1,0,0]=3 1019 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [2,0,0,0,0,0|1,0,0]=3 1020 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1021 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1022 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [2,0,0,0,0,0|1,0,0]=3 1023 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [2,0,0,0,0,0|1,0,0]=3 1024 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [2,0,0,0,0,0|0,0,0]=2 1025 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [2,0,0,0,0,0|0,0,0]=2 1026 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [2,0,0,0,0,0|2,0,0]=4 1027 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [2,0,0,0,0,0|2,0,0]=4 1028 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [2,0,0,0,0,0|2,0,0]=4 1029 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [2,0,0,0,0,0|2,0,0]=4 1030 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [2,0,0,0,0,0|2,0,0]=4 1031 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [2,0,0,0,0,0|2,0,0]=4 1032 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [2,0,0,0,0,0|2,0,0]=4 1033 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [2,0,0,0,0,0|2,0,0]=4 1034 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [2,0,0,0,0,0|2,0,0]=4 1035 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [2,0,0,0,0,0|2,0,0]=4 1036 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [2,0,0,0,0,0|2,0,0]=4 1037 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [2,0,0,0,0,0|2,0,0]=4 1038 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [2,0,0,0,0,0|2,0,0]=4 1039 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [2,0,0,0,0,0|1,0,1]=4 1040 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [2,0,0,0,0,0|0,0,2]=4 1041 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [2,0,0,0,0,0|0,0,2]=4 1042 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [2,0,0,0,0,0|2,0,0]=4 1043 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [2,0,0,0,0,0|2,0,0]=4 1044 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [2,0,0,0,0,0|1,0,0]=3 1045 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [2,0,0,0,0,0|2,0,0]=4 1046 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [2,0,0,0,0,0|2,0,0]=4 1047 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [2,0,0,0,0,0|0,0,2]=4 1048 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [2,0,0,0,0,0|0,0,2]=4 1049 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [2,0,0,0,0,0|0,0,2]=4 1050 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [2,0,0,0,0,0|1,0,0]=3 1051 B11R1.192 CCNc1ccc(c(c1)Br)O 34a_100011534360_100000210202 [2,0,0,0,0,0|2,0,0]=4 1052 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [2,0,0,0,0,0|2,0,0]=4 1053 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [2,0,0,0,0,0|2,0,0]=4 1054 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [2,0,0,0,0,0|2,0,0]=4 1055 B11R1.192 CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210202 [2,0,0,0,0,0|2,0,0]=4 1056 B11R1.192 CCNc1ccc(c(c1)F)O 34a_100011220035_100000210202 [2,0,0,0,0,0|2,0,0]=4 1057 B11R1.192 CCNc1ccc(c(c1)F)O 7a_100011220035_100000210202 [2,0,0,0,0,0|2,0,0]=4 1058 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [2,0,0,0,0,0|2,0,0]=4 1059 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [2,0,0,0,0,0|2,0,0]=4 1060 B11R1.192 CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210202 [2,0,0,0,0,0|2,0,0]=4 1061 B11R1.192 CCNc1ccc(c(c1)O)F 34a_100012017398_100000210202 [2,0,0,0,0,0|2,0,0]=4 1062 B11R1.192 CCNc1ccc(c(c1)O)F 7a_100012017398_100000210202 [2,0,0,0,0,0|2,0,0]=4 1063 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [2,0,0,0,0,0|1,0,0]=3 1064 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [2,0,0,0,0,0|2,0,0]=4 1065 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [2,0,0,0,0,0|2,0,0]=4 1066 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [2,0,0,0,0,0|2,0,0]=4 1067 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100000210202_100012361655 [2,0,0,0,0,0|2,0,0]=4 1068 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210202 [2,0,0,0,0,0|2,0,0]=4 1069 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [2,0,0,0,0,0|2,0,0]=4 1070 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100000210202_100012360047 [2,0,0,0,0,0|2,0,0]=4 1071 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210202 [2,0,0,0,0,0|2,0,0]=4 1072 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000185481_100000210202 [2,0,0,0,0,0|2,0,0]=4 1073 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000210202_100000185481 [2,0,0,0,0,0|2,0,0]=4 1074 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000210202_100000752626 [2,0,0,0,0,0|2,0,0]=4 1075 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000752626_100000210202 [2,0,0,0,0,0|2,0,0]=4 1076 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100000210202_100012356990 [2,0,0,0,0,0|2,0,0]=4 1077 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210202 [2,0,0,0,0,0|2,0,0]=4 1078 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [2,0,0,0,0,0|2,0,0]=4 1079 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [2,0,0,0,0,0|2,0,0]=4 1080 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100000210202_100011356854 [2,0,0,0,0,0|2,0,0]=4 1081 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210202 [2,0,0,0,0,0|2,0,0]=4 1082 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000210202_100000686035 [2,0,0,0,0,0|2,0,0]=4 1083 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000686035_100000210202 [2,0,0,0,0,0|2,0,0]=4 1084 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000210202_100000739049 [2,0,0,0,0,0|2,0,0]=4 1085 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000739049_100000210202 [2,0,0,0,0,0|2,0,0]=4 1086 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [2,0,0,0,0,0|1,0,0]=3 1087 B11R1.192 CNCc1cc(=O)c(co1)O 2230a_106832991635_100000010605 [2,0,0,0,0,0|1,0,1]=4 1088 B11R1.192 CNCc1cc(=O)c(co1)O 7a_106832991635_100000010605 [2,0,0,0,0,0|1,0,1]=4 1089 B11R1.192 CNCc1ccc(c(c1)Br)Br 207a_100102657272_100011215943 [2,0,0,0,0,0|2,0,0]=4 1090 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_100012351559_200000210301 [2,0,0,0,0,0|2,0,0]=4 1091 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_106832991635_100012353900 [2,0,0,0,0,0|2,0,0]=4 1092 B11R1.192 CNCc1ccc(c(c1)Br)Br 270004a_106832991635_100011215943 [2,0,0,0,0,0|2,0,0]=4 1093 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100012351559_200000210301 [2,0,0,0,0,0|2,0,0]=4 1094 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100102657272_100012353900 [2,0,0,0,0,0|2,0,0]=4 1095 B11R1.192 CNCc1ccc(c(c1)Br)Br 7a_106832991635_100012353900 [2,0,0,0,0,0|2,0,0]=4 1096 B11R1.192 CNCc1ccc(c(c1)Br)C 207a_100102657272_100000695567 [2,0,0,0,0,0|2,0,0]=4 1097 B11R1.192 CNCc1ccc(c(c1)Br)C 2230a_106832991635_100012232412 [2,0,0,0,0,0|2,0,0]=4 1098 B11R1.192 CNCc1ccc(c(c1)Br)C 26a_100102657272_100011380479 [2,0,0,0,0,0|2,0,0]=4 1099 B11R1.192 CNCc1ccc(c(c1)Br)C 270004a_106832991635_100000695567 [2,0,0,0,0,0|2,0,0]=4 1100 B11R1.192 CNCc1ccc(c(c1)Br)C 34a_100102657272_100012232412 [2,0,0,0,0,0|2,0,0]=4 1101 B11R1.192 CNCc1ccc(c(c1)Br)C 7a_106832991635_100012232412 [2,0,0,0,0,0|2,0,0]=4 1102 B11R1.192 CNCc1ccc(c(c1)Br)Cl 207a_100102657272_100000693810 [2,0,0,0,0,0|2,0,0]=4 1103 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_200000210301 [2,0,0,0,0,0|2,0,0]=4 1104 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_106832991635_100012353894 [2,0,0,0,0,0|2,0,0]=4 1105 B11R1.192 CNCc1ccc(c(c1)Br)Cl 26a_100102657272_100011933957 [2,0,0,0,0,0|2,0,0]=4 1106 B11R1.192 CNCc1ccc(c(c1)Br)Cl 270004a_106832991635_100000693810 [2,0,0,0,0,0|2,0,0]=4 1107 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100012349490_200000210301 [2,0,0,0,0,0|2,0,0]=4 1108 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100102657272_100012353894 [2,0,0,0,0,0|2,0,0]=4 1109 B11R1.192 CNCc1ccc(c(c1)Br)Cl 7a_106832991635_100012353894 [2,0,0,0,0,0|2,0,0]=4 1110 B11R1.192 CNCc1ccc(c(c1)Br)F 207a_100102657272_100000211747 [2,0,0,0,0,0|2,0,0]=4 1111 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_100015193890_200000210301 [2,0,0,0,0,0|2,0,0]=4 1112 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_106832991635_100011206884 [2,0,0,0,0,0|2,0,0]=4 1113 B11R1.192 CNCc1ccc(c(c1)Br)F 26a_100102657272_100000693481 [2,0,0,0,0,0|2,0,0]=4 1114 B11R1.192 CNCc1ccc(c(c1)Br)F 270004a_106832991635_100000211747 [2,0,0,0,0,0|2,0,0]=4 1115 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100015193890_200000210301 [2,0,0,0,0,0|2,0,0]=4 1116 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100102657272_100011206884 [2,0,0,0,0,0|2,0,0]=4 1117 B11R1.192 CNCc1ccc(c(c1)Br)F 7a_106832991635_100011206884 [2,0,0,0,0,0|2,0,0]=4 1118 B11R1.192 CNCc1ccc(c(c1)Br)I 26a_100102657272_100000701344 [2,0,0,0,0,0|2,0,0]=4 1119 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [2,0,0,0,0,0|2,0,0]=4 1120 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [2,0,0,0,0,0|2,0,0]=4 1121 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [2,0,0,0,0,0|2,0,0]=4 1122 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [2,0,0,0,0,0|2,0,0]=4 1123 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [2,0,0,0,0,0|2,0,0]=4 1124 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [2,0,0,0,0,0|2,0,0]=4 1125 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [2,0,0,0,0,0|2,0,0]=4 1126 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [2,0,0,0,0,0|2,0,0]=4 1127 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [2,0,0,0,0,0|2,0,0]=4 1128 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [2,0,0,0,0,0|2,0,0]=4 1129 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [2,0,0,0,0,0|2,0,0]=4 1130 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [2,0,0,0,0,0|2,0,0]=4 1131 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [2,0,0,0,0,0|2,0,0]=4 1132 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [2,0,0,0,0,0|2,0,0]=4 1133 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [2,0,0,0,0,0|2,0,0]=4 1134 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [2,0,0,0,0,0|2,0,0]=4 1135 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [2,0,0,0,0,0|2,0,0]=4 1136 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [2,0,0,0,0,0|2,0,0]=4 1137 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [2,0,0,0,0,0|2,0,0]=4 1138 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [2,0,0,0,0,0|2,0,0]=4 1139 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [2,0,0,0,0,0|2,0,0]=4 1140 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [2,0,0,0,0,0|2,0,0]=4 1141 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [2,0,0,0,0,0|2,0,0]=4 1142 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [2,0,0,0,0,0|2,0,0]=4 1143 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [2,0,0,0,0,0|2,0,0]=4 1144 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [2,0,0,0,0,0|2,0,0]=4 1145 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [2,0,0,0,0,0|2,0,0]=4 1146 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [2,0,0,0,0,0|2,0,0]=4 1147 B11R1.192 CNCc1ccc(c(c1)Cl)Br 207a_100102657272_100000690054 [2,0,0,0,0,0|2,0,0]=4 1148 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_100012362553_200000210301 [2,0,0,0,0,0|2,0,0]=4 1149 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_106832991635_100012353895 [2,0,0,0,0,0|2,0,0]=4 1150 B11R1.192 CNCc1ccc(c(c1)Cl)Br 26a_100102657272_100011215161 [2,0,0,0,0,0|2,0,0]=4 1151 B11R1.192 CNCc1ccc(c(c1)Cl)Br 270004a_106832991635_100000690054 [2,0,0,0,0,0|2,0,0]=4 1152 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100012362553_200000210301 [2,0,0,0,0,0|2,0,0]=4 1153 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100102657272_100012353895 [2,0,0,0,0,0|2,0,0]=4 1154 B11R1.192 CNCc1ccc(c(c1)Cl)Br 7a_106832991635_100012353895 [2,0,0,0,0,0|2,0,0]=4 1155 B11R1.192 CNCc1ccc(c(c1)Cl)C 207a_100102657272_100000760539 [2,0,0,0,0,0|2,0,0]=4 1156 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_102495364989_200000210301 [2,0,0,0,0,0|2,0,0]=4 1157 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_106832991635_100011823929 [2,0,0,0,0,0|2,0,0]=4 1158 B11R1.192 CNCc1ccc(c(c1)Cl)C 26a_100102657272_100011265682 [2,0,0,0,0,0|2,0,0]=4 1159 B11R1.192 CNCc1ccc(c(c1)Cl)C 270004a_106832991635_100000760539 [2,0,0,0,0,0|2,0,0]=4 1160 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_100102657272_100011823929 [2,0,0,0,0,0|2,0,0]=4 1161 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_102495364989_200000210301 [2,0,0,0,0,0|2,0,0]=4 1162 B11R1.192 CNCc1ccc(c(c1)Cl)C 7a_106832991635_100011823929 [2,0,0,0,0,0|2,0,0]=4 1163 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 207a_100102657272_100000188533 [2,0,0,0,0,0|2,0,0]=4 1164 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200000210301 [2,0,0,0,0,0|2,0,0]=4 1165 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100000184707 [2,0,0,0,0,0|2,0,0]=4 1166 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 26a_100102657272_100000211054 [2,0,0,0,0,0|2,0,0]=4 1167 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 270004a_106832991635_100000188533 [2,0,0,0,0,0|2,0,0]=4 1168 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_200000210301 [2,0,0,0,0,0|2,0,0]=4 1169 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100102657272_100000184707 [2,0,0,0,0,0|2,0,0]=4 1170 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 7a_106832991635_100000184707 [2,0,0,0,0,0|2,0,0]=4 1171 B11R1.192 CNCc1ccc(c(c1)Cl)F 207a_100102657272_100000742290 [2,0,0,0,0,0|2,0,0]=4 1172 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_100000749334_200000210301 [2,0,0,0,0,0|2,0,0]=4 1173 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_106832991635_100000717365 [2,0,0,0,0,0|2,0,0]=4 1174 B11R1.192 CNCc1ccc(c(c1)Cl)F 26a_100102657272_100000211030 [2,0,0,0,0,0|2,0,0]=4 1175 B11R1.192 CNCc1ccc(c(c1)Cl)F 270004a_106832991635_100000742290 [2,0,0,0,0,0|2,0,0]=4 1176 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100000749334_200000210301 [2,0,0,0,0,0|2,0,0]=4 1177 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100102657272_100011934319 [2,0,0,0,0,0|2,0,0]=4 1178 B11R1.192 CNCc1ccc(c(c1)Cl)F 7a_106832991635_100000717365 [2,0,0,0,0,0|2,0,0]=4 1179 B11R1.192 CNCc1ccc(c(c1)Cl)I 2230a_106832991635_100012349665 [2,0,0,0,0,0|2,0,0]=4 1180 B11R1.192 CNCc1ccc(c(c1)Cl)I 26a_100102657272_100000047559 [2,0,0,0,0,0|2,0,0]=4 1181 B11R1.192 CNCc1ccc(c(c1)Cl)I 34a_100102657272_100012349665 [2,0,0,0,0,0|2,0,0]=4 1182 B11R1.192 CNCc1ccc(c(c1)Cl)I 7a_106832991635_100012349665 [2,0,0,0,0,0|2,0,0]=4 1183 B11R1.192 CNCc1ccc(c(c1)F)Br 207a_100102657272_100000686674 [2,0,0,0,0,0|2,0,0]=4 1184 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_100000755036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1185 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_106832991635_100000767054 [2,0,0,0,0,0|2,0,0]=4 1186 B11R1.192 CNCc1ccc(c(c1)F)Br 26a_100102657272_100000755031 [2,0,0,0,0,0|2,0,0]=4 1187 B11R1.192 CNCc1ccc(c(c1)F)Br 270004a_106832991635_100000686674 [2,0,0,0,0,0|2,0,0]=4 1188 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100000755036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1189 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100102657272_100000767054 [2,0,0,0,0,0|2,0,0]=4 1190 B11R1.192 CNCc1ccc(c(c1)F)Br 7a_106832991635_100000767054 [2,0,0,0,0,0|2,0,0]=4 1191 B11R1.192 CNCc1ccc(c(c1)F)C 207a_100102657272_100000753222 [2,0,0,0,0,0|2,0,0]=4 1192 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_100102708794_200000210301 [2,0,0,0,0,0|2,0,0]=4 1193 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_106832991635_100011217369 [2,0,0,0,0,0|2,0,0]=4 1194 B11R1.192 CNCc1ccc(c(c1)F)C 270004a_106832991635_100000753222 [2,0,0,0,0,0|2,0,0]=4 1195 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102657272_100011217369 [2,0,0,0,0,0|2,0,0]=4 1196 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102708794_200000210301 [2,0,0,0,0,0|2,0,0]=4 1197 B11R1.192 CNCc1ccc(c(c1)F)C 7a_106832991635_100011217369 [2,0,0,0,0,0|2,0,0]=4 1198 B11R1.192 CNCc1ccc(c(c1)F)Cl 207a_100102657272_100000745630 [2,0,0,0,0,0|2,0,0]=4 1199 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_100011219866_200000210301 [2,0,0,0,0,0|2,0,0]=4 1200 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_106832991635_100000716492 [2,0,0,0,0,0|2,0,0]=4 1201 B11R1.192 CNCc1ccc(c(c1)F)Cl 26a_100102657272_100000691581 [2,0,0,0,0,0|2,0,0]=4 1202 B11R1.192 CNCc1ccc(c(c1)F)Cl 270004a_106832991635_100000745630 [2,0,0,0,0,0|2,0,0]=4 1203 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100011219866_200000210301 [2,0,0,0,0,0|2,0,0]=4 1204 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100102657272_100011519011 [2,0,0,0,0,0|2,0,0]=4 1205 B11R1.192 CNCc1ccc(c(c1)F)Cl 7a_106832991635_100000716492 [2,0,0,0,0,0|2,0,0]=4 1206 B11R1.192 CNCc1ccc(c(c1)F)F 207a_100102657272_100000211062 [2,0,0,0,0,0|2,0,0]=4 1207 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_100000737897_200000210301 [2,0,0,0,0,0|2,0,0]=4 1208 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_106832991635_100000757363 [2,0,0,0,0,0|2,0,0]=4 1209 B11R1.192 CNCc1ccc(c(c1)F)F 270004a_106832991635_100000211062 [2,0,0,0,0,0|2,0,0]=4 1210 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100000737897_200000210301 [2,0,0,0,0,0|2,0,0]=4 1211 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100102657272_100000757363 [2,0,0,0,0,0|2,0,0]=4 1212 B11R1.192 CNCc1ccc(c(c1)F)F 7a_106832991635_100000757363 [2,0,0,0,0,0|2,0,0]=4 1213 B11R1.192 CNCc1ccc(c(c1)F)I 207a_100102657272_100000050832 [2,0,0,0,0,0|2,0,0]=4 1214 B11R1.192 CNCc1ccc(c(c1)F)I 2230a_106832991635_100010149604 [2,0,0,0,0,0|2,0,0]=4 1215 B11R1.192 CNCc1ccc(c(c1)F)I 270004a_106832991635_100000050832 [2,0,0,0,0,0|2,0,0]=4 1216 B11R1.192 CNCc1ccc(c(c1)F)I 34a_100102657272_100010149604 [2,0,0,0,0,0|2,0,0]=4 1217 B11R1.192 CNCc1ccc(c(c1)F)I 7a_106832991635_100010149604 [2,0,0,0,0,0|2,0,0]=4 1218 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [2,0,0,0,0,0|1,0,0]=3 1219 B11R1.192 CNCc1ccc(c(c1)I)Br 207a_100102657272_100010146563 [2,0,0,0,0,0|2,0,0]=4 1220 B11R1.192 CNCc1ccc(c(c1)I)Br 2230a_106832991635_100010146616 [2,0,0,0,0,0|2,0,0]=4 1221 B11R1.192 CNCc1ccc(c(c1)I)Br 26a_100102657272_100012339312 [2,0,0,0,0,0|2,0,0]=4 1222 B11R1.192 CNCc1ccc(c(c1)I)Br 270004a_106832991635_100010146563 [2,0,0,0,0,0|2,0,0]=4 1223 B11R1.192 CNCc1ccc(c(c1)I)Br 34a_100102657272_100010146616 [2,0,0,0,0,0|2,0,0]=4 1224 B11R1.192 CNCc1ccc(c(c1)I)Br 7a_106832991635_100010146616 [2,0,0,0,0,0|2,0,0]=4 1225 B11R1.192 CNCc1ccc(c(c1)I)C 207a_100102657272_100010197721 [2,0,0,0,0,0|2,0,0]=4 1226 B11R1.192 CNCc1ccc(c(c1)I)C 2230a_106832991635_100010206137 [2,0,0,0,0,0|2,0,0]=4 1227 B11R1.192 CNCc1ccc(c(c1)I)C 270004a_106832991635_100010197721 [2,0,0,0,0,0|2,0,0]=4 1228 B11R1.192 CNCc1ccc(c(c1)I)C 34a_100102657272_100010206137 [2,0,0,0,0,0|2,0,0]=4 1229 B11R1.192 CNCc1ccc(c(c1)I)C 7a_106832991635_100010206137 [2,0,0,0,0,0|2,0,0]=4 1230 B11R1.192 CNCc1ccc(c(c1)I)Cl 207a_100102657272_100010209939 [2,0,0,0,0,0|2,0,0]=4 1231 B11R1.192 CNCc1ccc(c(c1)I)Cl 26a_100102657272_100000049588 [2,0,0,0,0,0|2,0,0]=4 1232 B11R1.192 CNCc1ccc(c(c1)I)Cl 270004a_106832991635_100010209939 [2,0,0,0,0,0|2,0,0]=4 1233 B11R1.192 CNCc1ccc(c(c1)I)F 207a_100102657272_100010188209 [2,0,0,0,0,0|2,0,0]=4 1234 B11R1.192 CNCc1ccc(c(c1)I)F 2230a_106832991635_100010188208 [2,0,0,0,0,0|2,0,0]=4 1235 B11R1.192 CNCc1ccc(c(c1)I)F 270004a_106832991635_100010188209 [2,0,0,0,0,0|2,0,0]=4 1236 B11R1.192 CNCc1ccc(c(c1)I)F 34a_100102657272_100010188208 [2,0,0,0,0,0|2,0,0]=4 1237 B11R1.192 CNCc1ccc(c(c1)I)F 7a_106832991635_100010188208 [2,0,0,0,0,0|2,0,0]=4 1238 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [2,0,0,0,0,0|1,0,0]=3 1239 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [2,0,0,0,0,0|1,0,0]=3 1240 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [2,0,0,0,0,0|0,0,0]=2 1241 B11R1.192 CNCc1cnc(c(c1)Br)O 207a_100102657272_100010064886 [2,0,0,0,0,0|2,0,0]=4 1242 B11R1.192 CNCc1cnc(c(c1)Br)O 270004a_106832991635_100010064886 [2,0,0,0,0,0|2,0,0]=4 1243 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [2,0,0,0,0,0|2,0,0]=4 1244 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [2,0,0,0,0,0|2,0,0]=4 1245 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [2,0,0,0,0,0|2,0,0]=4 1246 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [2,0,0,0,0,0|2,0,0]=4 1247 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [2,0,0,0,0,0|2,0,0]=4 1248 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [2,0,0,0,0,0|2,0,0]=4 1249 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [2,0,0,0,0,0|2,0,0]=4 1250 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [2,0,0,0,0,0|2,0,0]=4 1251 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [2,0,0,0,0,0|2,0,0]=4 1252 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [2,0,0,0,0,0|2,0,0]=4 1253 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 2230a_102495364989_200025704644 [2,0,0,0,0,0|2,0,0]=4 1254 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 34a_102495364989_200025704644 [2,0,0,0,0,0|2,0,0]=4 1255 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 2230a_100102708794_200025704644 [2,0,0,0,0,0|2,0,0]=4 1256 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 34a_100102708794_200025704644 [2,0,0,0,0,0|2,0,0]=4 1257 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [2,0,0,0,0,0|2,0,0]=4 1258 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [2,0,0,0,0,0|2,0,0]=4 1259 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [2,0,0,0,0,0|2,0,0]=4 1260 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 2230a_100012351559_200025704644 [2,0,0,0,0,0|2,0,0]=4 1261 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 34a_100012351559_200025704644 [2,0,0,0,0,0|2,0,0]=4 1262 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 2230a_100012349490_200025704644 [2,0,0,0,0,0|2,0,0]=4 1263 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 34a_100012349490_200025704644 [2,0,0,0,0,0|2,0,0]=4 1264 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 2230a_100015193890_200025704644 [2,0,0,0,0,0|2,0,0]=4 1265 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 34a_100015193890_200025704644 [2,0,0,0,0,0|2,0,0]=4 1266 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 2230a_100012362553_200025704644 [2,0,0,0,0,0|2,0,0]=4 1267 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 34a_100012362553_200025704644 [2,0,0,0,0,0|2,0,0]=4 1268 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200025704644 [2,0,0,0,0,0|2,0,0]=4 1269 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 34a_100000174881_200025704644 [2,0,0,0,0,0|2,0,0]=4 1270 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 2230a_100000749334_200025704644 [2,0,0,0,0,0|2,0,0]=4 1271 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 34a_100000749334_200025704644 [2,0,0,0,0,0|2,0,0]=4 1272 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 2230a_100000755036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1273 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 34a_100000755036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1274 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 2230a_100011219866_200025704644 [2,0,0,0,0,0|2,0,0]=4 1275 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 34a_100011219866_200025704644 [2,0,0,0,0,0|2,0,0]=4 1276 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 2230a_100000737897_200025704644 [2,0,0,0,0,0|2,0,0]=4 1277 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 34a_100000737897_200025704644 [2,0,0,0,0,0|2,0,0]=4 1278 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [2,0,0,0,0,0|1,0,0]=3 1279 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [2,0,0,0,0,0|1,0,0]=3 1280 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [2,0,0,0,0,0|1,0,0]=3 1281 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [2,0,0,0,0,0|0,0,0]=2 1282 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1283 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1284 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1285 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1286 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [1,1,0,0,0,0|1,0,1]=4 1287 B13R1.17 CC(CNCF)c1ccc(cc1)O 34a_200015188644_100015361967 [1,1,0,0,0,0|1,0,0]=3 1288 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [1,1,0,0,0,0|2,0,0]=4 1289 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [1,1,0,0,0,0|1,0,0]=3 1290 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [1,1,0,0,0,0|1,0,0]=3 1291 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [1,1,0,0,0,0|1,0,0]=3 1292 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [1,1,0,0,0,0|1,0,0]=3 1293 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [1,1,0,0,0,0|1,0,0]=3 1294 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [1,1,0,0,0,0|1,0,0]=3 1295 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [1,1,0,0,0,0|1,0,0]=3 1296 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [1,1,0,0,0,0|1,0,0]=3 1297 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [1,1,0,0,0,0|0,0,0]=2 1298 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [1,1,0,0,0,0|1,0,0]=3 1299 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [1,1,0,0,0,0|2,0,0]=4 1300 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [1,1,0,0,0,0|2,0,0]=4 1301 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [1,1,0,0,0,0|2,0,0]=4 1302 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [1,1,0,0,0,0|2,0,0]=4 1303 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [1,1,0,0,0,0|2,0,0]=4 1304 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [1,1,0,0,0,0|2,0,0]=4 1305 B13R1.17 CNCCC(=O)c1ccc(cc1)O 2230a_106832991635_100009879949 [1,1,0,0,0,0|0,0,2]=4 1306 B13R1.17 CNCCC(=O)c1ccc(cc1)O 7a_106832991635_100009879949 [1,1,0,0,0,0|0,0,2]=4 1307 B13R1.17 COCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000766300 [1,1,0,0,0,0|2,0,0]=4 1308 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011218213 [1,1,0,0,0,0|2,0,0]=4 1309 B13R1.17 Cc1ccc(cc1)C(O)CNCF 34a_200020610344_100015361967 [1,1,0,0,0,0|1,0,0]=3 1310 B13R1.17 OC(CNCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [1,1,0,0,0,0|1,0,0]=3 1311 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [1,1,0,0,0,0|1,0,0]=3 1312 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_100015361967_200011996143 [1,1,0,0,0,0|2,0,0]=4 1313 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_200011996143_100015361967 [1,1,0,0,0,0|2,0,0]=4 1314 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100000720402_100015361967 [1,1,0,0,0,0|2,0,0]=4 1315 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100015361967_100000720402 [1,1,0,0,0,0|2,0,0]=4 1316 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [1,1,0,0,0,0|0,0,0]=2 1317 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [1,1,0,0,0,0|1,0,1]=4 1318 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [1,1,0,0,0,0|1,0,1]=4 1319 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [1,1,0,0,0,0|1,0,1]=4 1320 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [1,1,0,0,0,0|1,0,1]=4 1321 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [1,1,0,0,0,0|0,0,1]=3 1322 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [1,1,0,0,0,0|1,0,1]=4 1323 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [1,1,0,0,0,0|1,0,1]=4 1324 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 2230a_106832991635_200010205864 [1,1,0,0,0,0|0,0,2]=4 1325 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 34a_100102657272_200010205864 [1,1,0,0,0,0|0,0,2]=4 1326 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 7a_106832991635_200010205864 [1,1,0,0,0,0|0,0,2]=4 1327 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200000210301 [1,1,0,0,0,0|1,0,0]=3 1328 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200000210301 [1,1,0,0,0,0|1,0,0]=3 1329 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200025704644 [1,1,0,0,0,0|1,0,0]=3 1330 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200025704644 [1,1,0,0,0,0|1,0,0]=3 1331 B13R1.29 CC(C)(CN[13CH3])c1ccc(cc1)Cl 2230a_100000742012_200025704644 [1,1,0,0,0,0|2,0,0]=4 1332 B13R1.29 CNCC(C)(C)c1ccc(cc1)Br 270004a_106832991635_100010228009 [1,1,0,0,0,0|2,0,0]=4 1333 B13R1.29 CNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_200000210301 [1,1,0,0,0,0|2,0,0]=4 1334 B13R1.29 CNCC(F)(F)c1ccc(cc1)Br 34a_100102657272_100010185546 [1,1,0,0,0,0|2,0,0]=4 1335 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [1,1,0,0,0,0|2,0,0]=4 1336 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [1,1,0,0,0,0|2,0,0]=4 1337 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [1,1,0,0,0,0|2,0,0]=4 1338 B13R1.132 CN(C)CC(=O)c1ccc(cc1)O 269982a_100102631434_100009814261 [1,1,0,0,0,0|0,0,2]=4 1339 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [1,1,0,0,0,0|1,0,0]=3 1340 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [1,1,0,0,0,0|0,0,0]=2 1341 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [1,1,0,0,0,0|0,0,0]=2 1342 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [1,1,0,0,0,0|1,0,0]=3 1343 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [1,1,0,0,0,0|0,0,0]=2 1344 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [1,1,0,0,0,0|0,0,0]=2 1345 B13R1.452 C=Cc1ccc(cc1)C(O)CCC 271570a_100011290941_100011350873 [1,1,0,0,0,0|2,0,0]=4 1346 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_100011350873_200000210301 [1,1,0,0,0,0|1,1,0]=4 1347 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_200000210301_100011350873 [1,1,0,0,0,0|1,1,0]=4 1348 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_100011350873_200025704644 [1,1,0,0,0,0|1,1,0]=4 1349 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011350873 [1,1,0,0,0,0|1,1,0]=4 1350 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [1,1,0,0,0,0|0,0,2]=4 1351 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [1,1,0,0,0,0|0,0,2]=4 1352 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [1,1,0,0,0,0|0,0,0]=2 1353 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [1,1,0,0,0,0|0,0,0]=2 1354 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [1,1,0,0,0,0|0,0,0]=2 1355 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [1,1,0,0,0,0|0,0,0]=2 1356 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [1,1,0,0,0,0|2,0,0]=4 1357 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [1,1,0,0,0,0|2,0,0]=4 1358 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [1,1,0,0,0,0|0,0,0]=2 1359 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [1,1,0,0,0,0|0,0,0]=2 1360 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 34a_100102657272_100009814262 [1,1,0,0,0,0|0,0,2]=4 1361 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 7a_106832991635_100009814262 [1,1,0,0,0,0|0,0,2]=4 1362 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 2230a_106832991635_100000761269 [1,1,0,0,0,0|1,0,0]=3 1363 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 34a_100102657272_100000761269 [1,1,0,0,0,0|1,0,0]=3 1364 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 7a_106832991635_100000761269 [1,1,0,0,0,0|1,0,0]=3 1365 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_106832991635_100000761231 [1,1,0,0,0,0|1,0,0]=3 1366 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100102657272_100000761231 [1,1,0,0,0,0|1,0,0]=3 1367 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 7a_106832991635_100000761231 [1,1,0,0,0,0|1,0,0]=3 1368 B13R1.1511 COC[C@@H](O)c1ccc(cc1F)F 34a_100138415774_100000761269 [1,1,0,0,0,0|2,0,0]=4 1369 B13R1.1511 COC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138415774_100000761231 [1,1,0,0,0,0|2,0,0]=4 1370 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_200000210301_100000761269 [1,1,0,0,0,0|2,0,0]=4 1372 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200000210301 [1,1,0,0,0,0|2,0,0]=4 1373 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_200000210301_100000761231 [1,1,0,0,0,0|2,0,0]=4 1374 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200025704644 [1,1,0,0,0,0|2,0,0]=4 1375 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_200025704644_100000761269 [1,1,0,0,0,0|2,0,0]=4 1376 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200025704644 [1,1,0,0,0,0|2,0,0]=4 1377 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_200025704644_100000761231 [1,1,0,0,0,0|2,0,0]=4 1378 B13R1.2 CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210202 [1,1,0,0,0,0|2,0,0]=4 1379 B13R1.2 CCNC(CO)c1cccc(c1)O 34a_100025717460_100000210202 [1,1,0,0,0,0|2,0,0]=4 1380 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [1,1,0,0,0,0|1,0,0]=3 1381 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [1,1,0,0,0,0|1,0,0]=3 1382 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [1,1,0,0,0,0|2,0,0]=4 1383 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [1,1,0,0,0,0|2,0,0]=4 1384 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [1,1,0,0,0,0|0,0,0]=2 1385 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [1,1,0,0,0,0|0,0,0]=2 1386 B13R1.18 COCNC(C)c1cccc(c1)O 2230a_100000740644_100000766300 [1,1,0,0,0,0|2,0,0]=4 1387 B13R1.18 CSCNC(C)c1cccc(c1)O 2230a_100000740644_100011218213 [1,1,0,0,0,0|2,0,0]=4 1388 B13R1.18 Oc1cccc(c1)C(O)CNCF 34a_100020657549_100015361967 [1,1,0,0,0,0|0,0,0]=2 1389 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [1,1,0,0,0,0|1,0,1]=4 1390 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [1,1,0,0,0,0|1,0,1]=4 1391 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [1,1,0,0,0,0|1,0,1]=4 1392 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)Br 2230a_100000749542_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)Cl 2230a_100000747265_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)F 2230a_100000757675_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)F 34a_100000757675_200025704644 [1,1,0,0,0,0|2,0,0]=4 1396 B13R1.30 CNCC(C)(C)c1cccc(c1)Br 2230a_100000749542_200000210301 [1,1,0,0,0,0|2,0,0]=4 1397 B13R1.30 CNCC(C)(C)c1cccc(c1)Cl 2230a_100000747265_200000210301 [1,1,0,0,0,0|2,0,0]=4 1398 B13R1.30 CNCC(C)(C)c1cccc(c1)F 2230a_100000757675_200000210301 [1,1,0,0,0,0|2,0,0]=4 1399 B13R1.30 CNCC(C)(C)c1cccc(c1)F 34a_100000757675_200000210301 [1,1,0,0,0,0|2,0,0]=4 1400 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [1,1,0,0,0,0|2,0,0]=4 1401 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [1,1,0,0,0,0|2,0,0]=4 1402 B13R1.147 CN(C)CC(=O)c1cccc(c1)O 269982a_100102631434_100009813753 [1,1,0,0,0,0|0,0,2]=4 1403 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [1,1,0,0,0,0|1,0,0]=3 1404 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [1,1,0,0,0,0|1,0,0]=3 1405 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [1,1,0,0,0,0|0,0,0]=2 1406 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [1,1,0,0,0,0|0,0,0]=2 1407 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [1,1,0,0,0,0|1,0,0]=3 1408 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [1,1,0,0,0,0|1,0,0]=3 1409 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [1,1,0,0,0,0|0,0,0]=2 1410 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [1,1,0,0,0,0|0,0,0]=2 1411 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [1,1,0,0,0,0|2,0,0]=4 1412 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [1,1,0,0,0,0|0,0,2]=4 1413 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [1,1,0,0,0,0|0,0,2]=4 1414 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 2230a_106832991635_100010006762 [1,1,0,0,0,0|0,0,2]=4 1415 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 34a_100102657272_100010006762 [1,1,0,0,0,0|0,0,2]=4 1416 B13R1.460 C=Cc1cccc(c1)C(O)CNC 271570a_100011290941_200000733937 [1,1,0,0,0,0|1,0,0]=3 1417 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [1,1,0,0,0,0|0,0,2]=4 1418 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [1,1,0,0,0,0|0,0,2]=4 1419 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000210301_200000733937 [1,1,0,0,0,0|0,1,0]=3 1420 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000733937_200000210301 [1,1,0,0,0,0|0,1,0]=3 1421 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200000733937_200025704644 [1,1,0,0,0,0|0,1,0]=3 1422 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200000733937 [1,1,0,0,0,0|0,1,0]=3 1423 B13R1.460 CNC[C@H](O)c1cccc(c1)OC 34a_100009815823_200000210301 [1,1,0,0,0,0|0,0,0]=2 1424 B13R1.460 CNC[C@H](O)c1cccc(c1)O[13CH3] 34a_100009815823_200025704644 [1,1,0,0,0,0|0,0,0]=2 1425 B13R1.460 COCC(N)c1cccc(c1)OC 34a_100020589383_200000210301 [1,1,0,0,0,0|2,0,0]=4 1426 B13R1.460 COc1cccc(c1)C(N)CO[13CH3] 34a_100020589383_200025704644 [1,1,0,0,0,0|2,0,0]=4 1427 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [1,1,0,0,0,0|0,0,2]=4 1428 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [1,1,0,0,0,0|0,0,2]=4 1429 B13R1.49 CNC(C)c1ccc(c(c1)OC)Br 269862a_106832991636_100010110075 [1,1,0,0,0,0|2,0,0]=4 1430 B13R1.49 CNC(C)c1ccc(c(c1)OC)C 269862a_106832991636_100012706825 [1,1,0,0,0,0|2,0,0]=4 1431 B13R1.49 CNC(C)c1ccc(c(c1)OC)Cl 269862a_106832991636_100012002813 [1,1,0,0,0,0|2,0,0]=4 1432 B13R1.49 CNC(C)c1ccc(c(c1)OC)F 269862a_106832991636_100000694624 [1,1,0,0,0,0|2,0,0]=4 1433 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 2230a_100025717271_200000210301 [1,1,0,0,0,0|2,0,0]=4 1434 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 34a_100025717271_200000210301 [1,1,0,0,0,0|2,0,0]=4 1435 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 2230a_100025717271_200025704644 [1,1,0,0,0,0|2,0,0]=4 1436 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 34a_100025717271_200025704644 [1,1,0,0,0,0|2,0,0]=4 1437 B13R1.331 CCC(NC)c1ccc(c(c1)Cl)O 269862a_106832991636_100011218862 [1,1,0,0,0,0|2,0,0]=4 1438 B13R1.331 CNC(CO)c1ccc(c(c1)Cl)Cl 2230a_100011404344_200000210301 [1,1,0,0,0,0|2,0,0]=4 1439 B13R1.331 CNC(CO)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000246375 [1,1,0,0,0,0|2,0,0]=4 1440 B13R1.331 CNC(CO)c1ccc(c(c1)Cl)Cl 34a_100011404344_200000210301 [1,1,0,0,0,0|2,0,0]=4 1441 B13R1.331 [13CH3]NC(CO)c1ccc(c(c1)Cl)Cl 2230a_100011404344_200025704644 [1,1,0,0,0,0|2,0,0]=4 1442 B13R1.331 [13CH3]NC(CO)c1ccc(c(c1)Cl)Cl 34a_100011404344_200025704644 [1,1,0,0,0,0|2,0,0]=4 1443 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [1,1,0,0,0,0|0,0,1]=3 1444 B13R1.510 CC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210206 [1,1,0,0,0,0|0,0,2]=4 1445 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [1,1,0,0,0,0|0,0,1]=3 1446 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [1,1,0,0,0,0|0,0,2]=4 1447 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [1,1,0,0,0,0|0,0,2]=4 1448 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [1,1,0,0,0,0|0,0,2]=4 1449 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210202 [1,1,0,0,0,0|0,0,2]=4 1450 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210202 [1,1,0,0,0,0|0,0,2]=4 1451 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210202 [1,1,0,0,0,0|0,0,2]=4 1452 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100102657272_200009992764 [1,1,0,0,0,0|0,0,2]=4 1453 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102657272_200000078382 [1,1,0,0,0,0|0,0,2]=4 1454 B13R1.2678 CNC(C)c1cc(c(c(c1)Br)O)Br 269862a_106832991636_100000186470 [1,1,0,0,0,0|2,0,0]=4 1455 B13R1.2678 CNC(C)c1cc(c(c(c1)C)O)C 269862a_106832991636_100011934020 [1,1,0,0,0,0|2,0,0]=4 1456 B13R1.2678 CNC(C)c1cc(c(c(c1)Cl)O)Cl 269862a_106832991636_100012337704 [1,1,0,0,0,0|2,0,0]=4 1457 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [1,1,0,0,0,0|0,0,2]=4 1458 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [1,1,0,0,0,0|0,0,2]=4 1459 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [1,1,0,0,0,0|0,0,2]=4 1460 B13R1.3088 CNC(C)c1ccc(c(c1)Br)OC 269862a_106832991636_100000185153 [1,1,0,0,0,0|2,0,0]=4 1461 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [1,1,0,0,0,0|2,0,0]=4 1462 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [1,1,0,0,0,0|2,0,0]=4 1463 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [1,1,0,0,0,0|2,0,0]=4 1464 B13R1.3088 CNC(C)c1ccc(c(c1)Cl)OC 269862a_106832991636_100000742349 [1,1,0,0,0,0|2,0,0]=4 1465 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 2230a_100000204609_200000210301 [1,1,0,0,0,0|2,0,0]=4 1466 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 269862a_106832991636_100000195443 [1,1,0,0,0,0|2,0,0]=4 1467 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 34a_100000204609_200000210301 [1,1,0,0,0,0|2,0,0]=4 1468 B13R1.3088 CNC(C)c1ccc(c(c1)I)OC 269862a_106832991636_100000039561 [1,1,0,0,0,0|2,0,0]=4 1469 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [1,1,0,0,0,0|1,0,0]=3 1470 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [1,1,0,0,0,0|2,0,0]=4 1471 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 2230a_100000204609_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 34a_100000204609_200025704644 [1,1,0,0,0,0|2,0,0]=4 1474 B13R1.136 CCCCc1cc(c(c(c1)Br)O)C 271570a_100020621405_100010982682 [1,1,0,0,0,0|2,0,0]=4 1475 B13R1.136 CCCCc1cc(c(c(c1)C)O)C 271570a_100020621405_100000187306 [1,1,0,0,0,0|2,0,0]=4 1476 B13R1.136 CCCCc1cc(c(c(c1)Cl)O)C 271570a_100020621405_200015900153 [1,1,0,0,0,0|2,0,0]=4 1477 B13R1.136 CCCCc1cc(c(c(c1)Cl)O)Cl 271570a_100020621405_100012339652 [1,1,0,0,0,0|2,0,0]=4 1478 B13R1.136 CCCCc1cc(c(c(c1)F)F)O 271570a_100020621405_100000709865 [1,1,0,0,0,0|2,0,0]=4 1479 B13R1.136 CCCCc1cc(c(c(c1)F)N)O 271570a_100020621405_100015475841 [1,1,0,0,0,0|2,0,0]=4 1480 B13R1.136 CCCCc1cc(c(c(c1)F)O)F 271570a_100020621405_100011216917 [1,1,0,0,0,0|2,0,0]=4 1481 B13R1.136 CCCCc1cc(c(c(c1)F)O)N 271570a_100020621405_100011217383 [1,1,0,0,0,0|2,0,0]=4 1482 B13R1.136 CCCCc1cc(c(c(c1)N)O)C 271570a_100020621405_100011825904 [1,1,0,0,0,0|2,0,0]=4 1483 B13R1.136 CCCCc1cc(c(c(c1)O)N)C 271570a_100020621405_100010371313 [1,1,0,0,0,0|2,0,0]=4 1484 B13R1.136 CCCSc1cc(c(c(c1)F)O)O 62a_100000210303_100010114375 [1,1,0,0,0,0|2,0,0]=4 1485 B13R1.136 CCCSc1cc(c(c(c1)O)O)O 62a_100000210303_100010658518 [1,1,0,0,0,0|2,0,0]=4 1486 B13R1.136 COCSc1cc(c(c(c1)F)O)O 62a_100000766300_100010114375 [1,1,0,0,0,0|2,0,0]=4 1487 B13R1.136 COCSc1cc(c(c(c1)O)O)O 62a_100000766300_100010658518 [1,1,0,0,0,0|2,0,0]=4 1488 B13R1.136 CSCSc1cc(c(c(c1)F)O)O 62a_100011218213_100010114375 [1,1,0,0,0,0|2,0,0]=4 1489 B13R1.136 CSCSc1cc(c(c(c1)O)O)O 62a_100011218213_100010658518 [1,1,0,0,0,0|2,0,0]=4 1490 B13R1.511 C=C(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000748629 [1,1,0,0,0,0|2,0,0]=4 1491 B13R1.511 C=C(C)CSc1ccc(c(c1)O)O 62a_100000748629_100009813601 [1,1,0,0,0,0|2,0,0]=4 1492 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [1,1,0,0,0,0|1,0,0]=3 1493 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [1,1,0,0,0,0|1,0,0]=3 1494 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [1,1,0,0,0,0|2,0,0]=4 1495 B13R1.511 CC(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000210624 [1,1,0,0,0,0|2,0,0]=4 1496 B13R1.511 CC(C)CSc1ccc(c(c1)O)O 62a_100000210624_100009813601 [1,1,0,0,0,0|2,0,0]=4 1497 B13R1.511 CC(C)NCc1ccc(c(c1)O)O 34a_100000010075_100000210206 [1,1,0,0,0,0|2,0,0]=4 1498 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [1,1,0,0,0,0|2,0,0]=4 1499 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [1,1,0,0,0,0|2,0,0]=4 1500 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)Cl 2230a_100102631434_100011713676 [1,1,0,0,0,0|2,0,0]=4 1501 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)Cl 269982a_100102631434_100011713676 [1,1,0,0,0,0|2,0,0]=4 1502 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)F 2230a_100102631434_100012361305 [1,1,0,0,0,0|2,0,0]=4 1503 B13R1.511 CN(C)CCc1ccc(c(c1)Cl)F 269982a_100102631434_100012361305 [1,1,0,0,0,0|2,0,0]=4 1504 B13R1.511 CN(C)CCc1ccc(c(c1)F)F 2230a_100102631434_100000690553 [1,1,0,0,0,0|2,0,0]=4 1505 B13R1.511 CN(C)CCc1ccc(c(c1)F)F 269982a_100102631434_100000690553 [1,1,0,0,0,0|2,0,0]=4 1506 B13R1.511 CN(C)CCc1ccc(c(c1)O)O 269982a_100102631434_200010393615 [1,1,0,0,0,0|0,0,0]=2 1507 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [1,1,0,0,0,0|2,0,0]=4 1508 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [1,1,0,0,0,0|2,0,0]=4 1509 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [1,1,0,0,0,0|1,0,0]=3 1510 B13R1.575 CCCCc1ccc(c(c1)C#N)O 271570a_100020621405_100000687585 [1,1,0,0,0,0|2,0,0]=4 1511 B13R1.575 CCCCc1ccc(c(c1)C=O)O 271570a_100020621405_100000186750 [1,1,0,0,0,0|1,0,1]=4 1512 B13R1.575 CCCCc1ccc(c(c1)CC)O 271570a_100020621405_100012338938 [1,1,0,0,0,0|2,0,0]=4 1513 B13R1.575 CCCCc1ccc(c(c1)CN)O 271570a_100020621405_100000730032 [1,1,0,0,0,0|2,0,0]=4 1514 B13R1.575 CCCCc1ccc(c(c1)CO)Br 271570a_100020621405_100012359683 [1,1,0,0,0,0|2,0,0]=4 1515 B13R1.575 CCCCc1ccc(c(c1)CO)C 271570a_100020621405_100000700630 [1,1,0,0,0,0|2,0,0]=4 1516 B13R1.575 CCCCc1ccc(c(c1)CO)Cl 271570a_100020621405_100010128486 [1,1,0,0,0,0|2,0,0]=4 1517 B13R1.575 CCCCc1ccc(c(c1)CO)F 271570a_100020621405_100000049604 [1,1,0,0,0,0|2,0,0]=4 1518 B13R1.575 CCCCc1ccc(c(c1)CO)N 271570a_100020621405_100012353972 [1,1,0,0,0,0|2,0,0]=4 1519 B13R1.575 CCCCc1ccc(c(c1)CO)O 271570a_100020621405_100000184703 [1,1,0,0,0,0|1,0,0]=3 1520 B13R1.575 CCCCc1ccc(c(c1)OC)Br 271570a_100020621405_100012353699 [1,1,0,0,0,0|2,0,0]=4 1521 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [1,1,0,0,0,0|2,0,0]=4 1522 B13R1.575 CCCCc1ccc(c(c1)OC)Cl 271570a_100020621405_100011356853 [1,1,0,0,0,0|2,0,0]=4 1523 B13R1.575 CCCCc1ccc(c(c1)OC)F 271570a_100020621405_100011934186 [1,1,0,0,0,0|2,0,0]=4 1524 B13R1.575 CCCCc1ccc(c(c1)OC)N 271570a_100020621405_100011279103 [1,1,0,0,0,0|2,0,0]=4 1525 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [1,1,0,0,0,0|1,0,0]=3 1526 B13R1.575 CCCCc1ccc(c(n1)OC)O 271570a_100020621405_100010893133 [1,1,0,0,0,0|2,0,0]=4 1527 B13R1.575 CCCCc1cnc(c(c1)CO)O 271570a_100020621405_100010065268 [1,1,0,0,0,0|2,0,0]=4 1528 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [1,1,0,0,0,0|2,0,0]=4 1529 B13R1.575 CCCSc1ccc(c(c1)CO)O 62a_100000184703_100000210303 [1,1,0,0,0,0|2,0,0]=4 1530 B13R1.575 CCCSc1ccc(c(c1)CO)O 62a_100000210303_100000184703 [1,1,0,0,0,0|2,0,0]=4 1531 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [1,1,0,0,0,0|2,0,0]=4 1532 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [1,1,0,0,0,0|2,0,0]=4 1533 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [1,1,0,0,0,0|0,0,0]=2 1534 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [1,1,0,0,0,0|0,0,0]=2 1535 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [1,1,0,0,0,0|0,0,0]=2 1536 B13R1.575 COCSc1ccc(c(c1)CO)O 62a_100000184703_100000766300 [1,1,0,0,0,0|2,0,0]=4 1537 B13R1.575 COCSc1ccc(c(c1)CO)O 62a_100000766300_100000184703 [1,1,0,0,0,0|2,0,0]=4 1538 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [1,1,0,0,0,0|2,0,0]=4 1539 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [1,1,0,0,0,0|0,0,0]=2 1540 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [1,1,0,0,0,0|1,0,0]=3 1541 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [1,1,0,0,0,0|1,0,0]=3 1542 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [1,1,0,0,0,0|2,0,0]=4 1543 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [1,1,0,0,0,0|2,0,0]=4 1544 B13R1.575 CSCSc1ccc(c(c1)CO)O 62a_100000184703_100011218213 [1,1,0,0,0,0|2,0,0]=4 1545 B13R1.575 CSCSc1ccc(c(c1)CO)O 62a_100011218213_100000184703 [1,1,0,0,0,0|2,0,0]=4 1546 B13R1.577 CCCCc1cc(c(cn1)OC)O 271570a_100020621405_100010264082 [1,1,0,0,0,0|2,0,0]=4 1547 B13R1.577 CCCCc1ccc(c(c1)Br)CO 271570a_100020621405_100010240206 [1,1,0,0,0,0|2,0,0]=4 1548 B13R1.577 CCCCc1ccc(c(c1)Br)OC 271570a_100020621405_100011249507 [1,1,0,0,0,0|2,0,0]=4 1549 B13R1.577 CCCCc1ccc(c(c1)C)CO 271570a_100020621405_100000748258 [1,1,0,0,0,0|2,0,0]=4 1550 B13R1.577 CCCCc1ccc(c(c1)C)OC 271570a_100020621405_100011219705 [1,1,0,0,0,0|2,0,0]=4 1551 B13R1.577 CCCCc1ccc(c(c1)Cl)OC 271570a_100020621405_100012355395 [1,1,0,0,0,0|2,0,0]=4 1552 B13R1.577 CCCCc1ccc(c(c1)F)CO 271570a_100020621405_100011191541 [1,1,0,0,0,0|2,0,0]=4 1553 B13R1.577 CCCCc1ccc(c(c1)F)OC 271570a_100020621405_100000185480 [1,1,0,0,0,0|2,0,0]=4 1554 B13R1.577 CCCCc1ccc(c(c1)N)CO 271570a_100020621405_100000718831 [1,1,0,0,0,0|2,0,0]=4 1555 B13R1.577 CCCCc1ccc(c(c1)N)OC 271570a_100020621405_100000743470 [1,1,0,0,0,0|2,0,0]=4 1556 B13R1.577 CCCCc1ccc(c(c1)O)C#N 271570a_100020621405_100011934713 [1,1,0,0,0,0|2,0,0]=4 1557 B13R1.577 CCCCc1ccc(c(c1)O)C=O 271570a_100020621405_100011277552 [1,1,0,0,0,0|1,0,1]=4 1558 B13R1.577 CCCCc1ccc(c(c1)O)CO 271570a_100020621405_100000071718 [1,1,0,0,0,0|1,0,0]=3 1559 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [1,1,0,0,0,0|1,0,0]=3 1560 B13R1.577 CCCCc1cnc(c(c1)O)OC 271570a_100020621405_100010135713 [1,1,0,0,0,0|2,0,0]=4 1561 B13R1.577 CCCNc1ccc(c(c1)O)OC 34a_100000211920_100000210303 [1,1,0,0,0,0|2,0,0]=4 1562 B13R1.577 CCCSc1ccc(c(c1)O)CO 62a_100000071718_100000210303 [1,1,0,0,0,0|2,0,0]=4 1563 B13R1.577 CCCSc1ccc(c(c1)O)CO 62a_100000210303_100000071718 [1,1,0,0,0,0|2,0,0]=4 1564 B13R1.577 CCCSc1ccc(c(c1)O)OC 62a_100000210303_100009816560 [1,1,0,0,0,0|2,0,0]=4 1565 B13R1.577 CCNCc1ccc(c(c1)O)OC 34a_100000740000_100000210202 [1,1,0,0,0,0|2,0,0]=4 1566 B13R1.577 CNCCc1ccc(c(c1)Br)OC 2230a_103549771065_200000210301 [1,1,0,0,0,0|1,0,0]=3 1567 B13R1.577 CNCCc1ccc(c(c1)Br)OC 34a_103549771065_200000210301 [1,1,0,0,0,0|1,0,0]=3 1568 B13R1.577 CNCCc1ccc(c(c1)Cl)OC 2230a_100025770840_200000210301 [1,1,0,0,0,0|1,0,0]=3 1569 B13R1.577 CNCCc1ccc(c(c1)Cl)OC 34a_100025770840_200000210301 [1,1,0,0,0,0|1,0,0]=3 1570 B13R1.577 CNCCc1ccc(c(c1)O)OC 2230a_100011207234_200000210301 [1,1,0,0,0,0|0,0,0]=2 1571 B13R1.577 CNCCc1ccc(c(c1)O)OC 34a_100011207234_200000210301 [1,1,0,0,0,0|0,0,0]=2 1572 B13R1.577 COCCc1ccc(c(c1)Br)OC 34a_100011962876_200000210301 [1,1,0,0,0,0|2,0,0]=4 1573 B13R1.577 COCCc1ccc(c(c1)Br)OC 7a_100011962876_200000210301 [1,1,0,0,0,0|2,0,0]=4 1574 B13R1.577 COCCc1ccc(c(c1)F)OC 34a_100011755164_200000210301 [1,1,0,0,0,0|2,0,0]=4 1575 B13R1.577 COCCc1ccc(c(c1)F)OC 7a_100011755164_200000210301 [1,1,0,0,0,0|2,0,0]=4 1576 B13R1.577 COCOc1ccc(c(c1)O)OC 271570a_203496583355_200161107199 [1,1,0,0,0,0|2,0,0]=4 1577 B13R1.577 COCSc1ccc(c(c1)O)CO 62a_100000071718_100000766300 [1,1,0,0,0,0|2,0,0]=4 1578 B13R1.577 COCSc1ccc(c(c1)O)CO 62a_100000766300_100000071718 [1,1,0,0,0,0|2,0,0]=4 1579 B13R1.577 COCSc1ccc(c(c1)O)OC 62a_100000766300_100009816560 [1,1,0,0,0,0|2,0,0]=4 1580 B13R1.577 COc1ccc(cc1Br)CCN[13CH3] 2230a_103549771065_200025704644 [1,1,0,0,0,0|1,0,0]=3 1581 B13R1.577 COc1ccc(cc1Br)CCN[13CH3] 34a_103549771065_200025704644 [1,1,0,0,0,0|1,0,0]=3 1582 B13R1.577 COc1ccc(cc1Br)CCO[13CH3] 34a_100011962876_200025704644 [1,1,0,0,0,0|2,0,0]=4 1583 B13R1.577 COc1ccc(cc1Br)CCO[13CH3] 7a_100011962876_200025704644 [1,1,0,0,0,0|2,0,0]=4 1584 B13R1.577 COc1ccc(cc1Cl)CCN[13CH3] 2230a_100025770840_200025704644 [1,1,0,0,0,0|1,0,0]=3 1585 B13R1.577 COc1ccc(cc1Cl)CCN[13CH3] 34a_100025770840_200025704644 [1,1,0,0,0,0|1,0,0]=3 1586 B13R1.577 COc1ccc(cc1F)CCO[13CH3] 34a_100011755164_200025704644 [1,1,0,0,0,0|2,0,0]=4 1587 B13R1.577 COc1ccc(cc1F)CCO[13CH3] 7a_100011755164_200025704644 [1,1,0,0,0,0|2,0,0]=4 1588 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 2230a_100011207234_200025704644 [1,1,0,0,0,0|0,0,0]=2 1589 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 34a_100011207234_200025704644 [1,1,0,0,0,0|0,0,0]=2 1590 B13R1.577 COc1ccc(cc1O)NCSC 34a_100000211920_100011218213 [1,1,0,0,0,0|2,0,0]=4 1591 B13R1.577 COc1ccc(cc1O)SCSC 62a_100011218213_100009816560 [1,1,0,0,0,0|2,0,0]=4 1592 B13R1.577 CSCSc1ccc(c(c1)O)CO 62a_100000071718_100011218213 [1,1,0,0,0,0|2,0,0]=4 1593 B13R1.577 CSCSc1ccc(c(c1)O)CO 62a_100011218213_100000071718 [1,1,0,0,0,0|2,0,0]=4 1594 B13R1.669 C#CCCNc1ccc(c(c1)O)O 34a_100102946323_100000688953 [1,1,0,0,0,0|1,0,1]=4 1595 B13R1.669 C#CCCSc1ccc(c(c1)O)O 62a_100000688953_100009813601 [1,1,0,0,0,0|1,0,1]=4 1596 B13R1.669 C#CCNCc1ccc(c(c1)O)O 34a_100000010075_100000184674 [1,1,0,0,0,0|1,0,1]=4 1597 B13R1.669 C/C=C/CNc1ccc(c(c1)O)O 34a_100102946323_100102629194 [1,1,0,0,0,0|1,0,1]=4 1598 B13R1.669 C/C=C/CSc1ccc(c(c1)O)O 62a_100102629194_100009813601 [1,1,0,0,0,0|1,0,1]=4 1599 B13R1.669 C=CCCNc1ccc(c(c1)O)O 34a_100102946323_100000754431 [1,1,0,0,0,0|1,0,1]=4 1600 B13R1.669 C=CCCSc1ccc(c(c1)O)O 62a_100000754431_100009813601 [1,1,0,0,0,0|1,0,1]=4 1601 B13R1.669 C=CCNCc1ccc(c(c1)O)O 34a_100000010075_100015514636 [1,1,0,0,0,0|1,0,1]=4 1602 B13R1.669 CC#CCNc1ccc(c(c1)O)O 34a_100102946323_100000748600 [1,1,0,0,0,0|1,0,1]=4 1603 B13R1.669 CC#CCSc1ccc(c(c1)O)O 62a_100000748600_100009813601 [1,1,0,0,0,0|1,0,1]=4 1604 B13R1.669 CC=CCNc1ccc(c(c1)O)O 34a_100102946323_100000070051 [1,1,0,0,0,0|1,0,1]=4 1605 B13R1.669 CC=CCSc1ccc(c(c1)O)O 62a_100000070051_100009813601 [1,1,0,0,0,0|1,0,1]=4 1606 B13R1.669 CCCC=Cc1ccc(c(c1)O)O 271570a_100016258520_100009813601 [1,1,0,0,0,0|1,0,1]=4 1607 B13R1.669 CCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210210 [1,1,0,0,0,0|2,0,0]=4 1608 B13R1.669 CCCCNc1ccc(c(c1)C)O 34a_100011218179_100000210210 [1,1,0,0,0,0|2,0,0]=4 1609 B13R1.669 CCCCNc1ccc(c(c1)C)O 7a_100011218179_100000210211 [1,1,0,0,0,0|2,0,0]=4 1610 B13R1.669 CCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210210 [1,1,0,0,0,0|2,0,0]=4 1611 B13R1.669 CCCCNc1ccc(c(c1)F)O 34a_100011220035_100000210210 [1,1,0,0,0,0|2,0,0]=4 1612 B13R1.669 CCCCNc1ccc(c(c1)F)O 7a_100011220035_100000210211 [1,1,0,0,0,0|2,0,0]=4 1613 B13R1.669 CCCCNc1ccc(c(c1)O)C 34a_100000759471_100000210210 [1,1,0,0,0,0|2,0,0]=4 1614 B13R1.669 CCCCNc1ccc(c(c1)O)C 7a_100000759471_100000210211 [1,1,0,0,0,0|2,0,0]=4 1615 B13R1.669 CCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210210 [1,1,0,0,0,0|2,0,0]=4 1616 B13R1.669 CCCCNc1ccc(c(c1)O)F 34a_100012017398_100000210210 [1,1,0,0,0,0|2,0,0]=4 1617 B13R1.669 CCCCNc1ccc(c(c1)O)F 7a_100012017398_100000210211 [1,1,0,0,0,0|2,0,0]=4 1618 B13R1.669 CCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210210 [1,1,0,0,0,0|1,0,0]=3 1619 B13R1.669 CCCCOc1ccc(c(c1)C)O 271570a_203496583355_200012350294 [1,1,0,0,0,0|2,0,0]=4 1620 B13R1.669 CCCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236941 [1,1,0,0,0,0|2,0,0]=4 1621 B13R1.669 CCCCSc1ccc(c(c1)Br)O 62a_100000210211_100012361655 [1,1,0,0,0,0|2,0,0]=4 1622 B13R1.669 CCCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210210 [1,1,0,0,0,0|2,0,0]=4 1623 B13R1.669 CCCCSc1ccc(c(c1)C)O 62a_100000210211_100000186361 [1,1,0,0,0,0|2,0,0]=4 1624 B13R1.669 CCCCSc1ccc(c(c1)Cl)O 62a_100000210211_100012360047 [1,1,0,0,0,0|2,0,0]=4 1625 B13R1.669 CCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210210 [1,1,0,0,0,0|2,0,0]=4 1626 B13R1.669 CCCCSc1ccc(c(c1)F)O 62a_100000185481_100000210210 [1,1,0,0,0,0|2,0,0]=4 1627 B13R1.669 CCCCSc1ccc(c(c1)F)O 62a_100000210211_100000185481 [1,1,0,0,0,0|2,0,0]=4 1628 B13R1.669 CCCCSc1ccc(c(c1)N)O 62a_100000210211_100000752626 [1,1,0,0,0,0|2,0,0]=4 1629 B13R1.669 CCCCSc1ccc(c(c1)N)O 62a_100000752626_100000210210 [1,1,0,0,0,0|2,0,0]=4 1630 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100000210211_100012356990 [1,1,0,0,0,0|2,0,0]=4 1631 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210210 [1,1,0,0,0,0|2,0,0]=4 1632 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000210211_100000685420 [1,1,0,0,0,0|2,0,0]=4 1633 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000685420_100000210210 [1,1,0,0,0,0|2,0,0]=4 1634 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100000210211_100011356854 [1,1,0,0,0,0|2,0,0]=4 1635 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210210 [1,1,0,0,0,0|2,0,0]=4 1636 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000210211_100000686035 [1,1,0,0,0,0|2,0,0]=4 1637 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000686035_100000210210 [1,1,0,0,0,0|2,0,0]=4 1638 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000210211_100000739049 [1,1,0,0,0,0|2,0,0]=4 1639 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000739049_100000210210 [1,1,0,0,0,0|2,0,0]=4 1640 B13R1.669 CCCCSc1ccc(c(c1)O)O 62a_100000210211_100009813601 [1,1,0,0,0,0|1,0,0]=3 1641 B13R1.669 CCCNCc1ccc(c(c1)F)O 34a_100000758358_100000210303 [1,1,0,0,0,0|2,0,0]=4 1642 B13R1.669 CCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210303 [1,1,0,0,0,0|2,0,0]=4 1643 B13R1.669 CCCNCc1ccc(c(c1)O)F 34a_100160469508_100000210303 [1,1,0,0,0,0|2,0,0]=4 1644 B13R1.669 CCCNCc1ccc(c(c1)O)O 34a_100000010075_100000210303 [1,1,0,0,0,0|1,0,0]=3 1645 B13R1.669 CCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1646 B13R1.669 CCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1647 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210202 [1,1,0,0,0,0|2,0,0]=4 1648 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100011713676 [1,1,0,0,0,0|2,0,0]=4 1649 B13R1.669 CCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210202 [1,1,0,0,0,0|2,0,0]=4 1650 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_100015525214_100012361305 [1,1,0,0,0,0|2,0,0]=4 1651 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210202 [1,1,0,0,0,0|2,0,0]=4 1652 B13R1.669 CCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210202 [1,1,0,0,0,0|2,0,0]=4 1653 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_100015525214_100000690553 [1,1,0,0,0,0|2,0,0]=4 1654 B13R1.669 CCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210202 [1,1,0,0,0,0|2,0,0]=4 1655 B13R1.669 CCNCCc1ccc(c(c1)F)F 34a_200000706328_100000210202 [1,1,0,0,0,0|2,0,0]=4 1656 B13R1.669 CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210202 [1,1,0,0,0,0|0,0,0]=2 1657 B13R1.669 CCNN=Cc1ccc(c(c1)O)O 4a_100000756455_100000184535 [1,1,0,0,0,0|1,0,1]=4 1658 B13R1.669 CCOCSc1ccc(c(c1)O)O 62a_100000739092_100009813601 [1,1,0,0,0,0|2,0,0]=4 1659 B13R1.669 CCSCCc1ccc(c(c1)O)O 62a_100000210202_200010393615 [1,1,0,0,0,0|1,0,0]=3 1660 B13R1.669 CNCCOc1ccc(c(c1)C)C 2230a_100015185357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1661 B13R1.669 CNCCOc1ccc(c(c1)C)C 2230a_106832991635_200011210794 [1,1,0,0,0,0|2,0,0]=4 1662 B13R1.669 CNCCOc1ccc(c(c1)C)C 34a_100015185357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1663 B13R1.669 CNCCOc1ccc(c(c1)C)C 34a_100102657272_200011210794 [1,1,0,0,0,0|2,0,0]=4 1664 B13R1.669 CNCCOc1ccc(c(c1)C)C 7a_106832991635_200011210794 [1,1,0,0,0,0|2,0,0]=4 1665 B13R1.669 CNCCOc1ccc(c(c1)C)Cl 2230a_100025718798_200000210301 [1,1,0,0,0,0|2,0,0]=4 1666 B13R1.669 CNCCOc1ccc(c(c1)C)Cl 34a_100025718798_200000210301 [1,1,0,0,0,0|2,0,0]=4 1667 B13R1.669 CNCCOc1ccc(c(c1)Cl)Cl 2230a_100015199673_200000210301 [1,1,0,0,0,0|2,0,0]=4 1668 B13R1.669 CNCCOc1ccc(c(c1)Cl)Cl 34a_100015199673_200000210301 [1,1,0,0,0,0|2,0,0]=4 1669 B13R1.669 CNCCOc1ccc(c(c1)Cl)F 2230a_106832991635_100011936913 [1,1,0,0,0,0|2,0,0]=4 1670 B13R1.669 CNCCOc1ccc(c(c1)Cl)F 34a_100102657272_100011936913 [1,1,0,0,0,0|2,0,0]=4 1671 B13R1.669 CNCCOc1ccc(c(c1)Cl)F 7a_106832991635_100011936913 [1,1,0,0,0,0|2,0,0]=4 1672 B13R1.669 COCC=Cc1ccc(c(c1)O)O 271570a_100016286323_100009813601 [1,1,0,0,0,0|1,0,1]=4 1673 B13R1.669 COCCNc1ccc(c(c1)Br)O 34a_100011534360_100011201679 [1,1,0,0,0,0|2,0,0]=4 1674 B13R1.669 COCCNc1ccc(c(c1)C)O 34a_100011218179_100011201679 [1,1,0,0,0,0|2,0,0]=4 1675 B13R1.669 COCCNc1ccc(c(c1)C)O 7a_100011218179_100000233755 [1,1,0,0,0,0|2,0,0]=4 1676 B13R1.669 COCCNc1ccc(c(c1)Cl)O 34a_100000744943_100011201679 [1,1,0,0,0,0|2,0,0]=4 1677 B13R1.669 COCCNc1ccc(c(c1)F)O 34a_100011220035_100011201679 [1,1,0,0,0,0|2,0,0]=4 1678 B13R1.669 COCCNc1ccc(c(c1)F)O 7a_100011220035_100000233755 [1,1,0,0,0,0|2,0,0]=4 1679 B13R1.669 COCCNc1ccc(c(c1)O)C 34a_100000759471_100011201679 [1,1,0,0,0,0|2,0,0]=4 1680 B13R1.669 COCCNc1ccc(c(c1)O)C 7a_100000759471_100000233755 [1,1,0,0,0,0|2,0,0]=4 1681 B13R1.669 COCCNc1ccc(c(c1)O)Cl 34a_100011934209_100011201679 [1,1,0,0,0,0|2,0,0]=4 1682 B13R1.669 COCCNc1ccc(c(c1)O)F 34a_100012017398_100011201679 [1,1,0,0,0,0|2,0,0]=4 1683 B13R1.669 COCCNc1ccc(c(c1)O)F 7a_100012017398_100000233755 [1,1,0,0,0,0|2,0,0]=4 1684 B13R1.669 COCCNc1ccc(c(c1)O)O 34a_100102946323_100011201679 [1,1,0,0,0,0|1,0,0]=3 1685 B13R1.669 COCCSc1ccc(c(c1)Br)O 62a_100000233755_100012361655 [1,1,0,0,0,0|2,0,0]=4 1686 B13R1.669 COCCSc1ccc(c(c1)Br)O 62a_100012361655_100000233755 [1,1,0,0,0,0|2,0,0]=4 1687 B13R1.669 COCCSc1ccc(c(c1)C)O 62a_100000233755_100000186361 [1,1,0,0,0,0|2,0,0]=4 1688 B13R1.669 COCCSc1ccc(c(c1)Cl)O 62a_100000233755_100012360047 [1,1,0,0,0,0|2,0,0]=4 1689 B13R1.669 COCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000233755 [1,1,0,0,0,0|2,0,0]=4 1690 B13R1.669 COCCSc1ccc(c(c1)F)O 62a_100000185481_100000233755 [1,1,0,0,0,0|2,0,0]=4 1691 B13R1.669 COCCSc1ccc(c(c1)F)O 62a_100000233755_100000185481 [1,1,0,0,0,0|2,0,0]=4 1692 B13R1.669 COCCSc1ccc(c(c1)N)O 62a_100000233755_100000752626 [1,1,0,0,0,0|2,0,0]=4 1693 B13R1.669 COCCSc1ccc(c(c1)N)O 62a_100000752626_100000233755 [1,1,0,0,0,0|2,0,0]=4 1694 B13R1.669 COCCSc1ccc(c(c1)O)Br 62a_100000233755_100012356990 [1,1,0,0,0,0|2,0,0]=4 1695 B13R1.669 COCCSc1ccc(c(c1)O)Br 62a_100012356990_100000233755 [1,1,0,0,0,0|2,0,0]=4 1696 B13R1.669 COCCSc1ccc(c(c1)O)C 62a_100000233755_100000685420 [1,1,0,0,0,0|2,0,0]=4 1697 B13R1.669 COCCSc1ccc(c(c1)O)C 62a_100000685420_100000233755 [1,1,0,0,0,0|2,0,0]=4 1698 B13R1.669 COCCSc1ccc(c(c1)O)Cl 62a_100000233755_100011356854 [1,1,0,0,0,0|2,0,0]=4 1699 B13R1.669 COCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000233755 [1,1,0,0,0,0|2,0,0]=4 1700 B13R1.669 COCCSc1ccc(c(c1)O)F 62a_100000233755_100000686035 [1,1,0,0,0,0|2,0,0]=4 1701 B13R1.669 COCCSc1ccc(c(c1)O)F 62a_100000686035_100000233755 [1,1,0,0,0,0|2,0,0]=4 1702 B13R1.669 COCCSc1ccc(c(c1)O)N 62a_100000233755_100000739049 [1,1,0,0,0,0|2,0,0]=4 1703 B13R1.669 COCCSc1ccc(c(c1)O)N 62a_100000739049_100000233755 [1,1,0,0,0,0|2,0,0]=4 1704 B13R1.669 COCCSc1ccc(c(c1)O)O 62a_100000233755_100009813601 [1,1,0,0,0,0|1,0,0]=3 1705 B13R1.669 CSCCNc1ccc(c(c1)Br)O 34a_100011534360_100000212216 [1,1,0,0,0,0|2,0,0]=4 1706 B13R1.669 CSCCNc1ccc(c(c1)C)O 34a_100011218179_100000212216 [1,1,0,0,0,0|2,0,0]=4 1707 B13R1.669 CSCCNc1ccc(c(c1)C)O 7a_100011218179_100000212216 [1,1,0,0,0,0|2,0,0]=4 1708 B13R1.669 CSCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000212216 [1,1,0,0,0,0|2,0,0]=4 1709 B13R1.669 CSCCNc1ccc(c(c1)F)O 34a_100011220035_100000212216 [1,1,0,0,0,0|2,0,0]=4 1710 B13R1.669 CSCCNc1ccc(c(c1)F)O 7a_100011220035_100000212216 [1,1,0,0,0,0|2,0,0]=4 1711 B13R1.669 CSCCNc1ccc(c(c1)O)C 34a_100000759471_100000212216 [1,1,0,0,0,0|2,0,0]=4 1712 B13R1.669 CSCCNc1ccc(c(c1)O)C 7a_100000759471_100000212216 [1,1,0,0,0,0|2,0,0]=4 1713 B13R1.669 CSCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000212216 [1,1,0,0,0,0|2,0,0]=4 1714 B13R1.669 CSCCNc1ccc(c(c1)O)F 34a_100012017398_100000212216 [1,1,0,0,0,0|2,0,0]=4 1715 B13R1.669 CSCCNc1ccc(c(c1)O)F 7a_100012017398_100000212216 [1,1,0,0,0,0|2,0,0]=4 1716 B13R1.669 CSCCNc1ccc(c(c1)O)O 34a_100102946323_100000212216 [1,1,0,0,0,0|1,0,0]=3 1717 B13R1.669 CSCCSc1ccc(c(c1)Br)O 62a_100000212216_100012361655 [1,1,0,0,0,0|2,0,0]=4 1718 B13R1.669 CSCCSc1ccc(c(c1)Br)O 62a_100012361655_100000751147 [1,1,0,0,0,0|2,0,0]=4 1719 B13R1.669 CSCCSc1ccc(c(c1)C)O 62a_100000212216_100000186361 [1,1,0,0,0,0|2,0,0]=4 1720 B13R1.669 CSCCSc1ccc(c(c1)Cl)O 62a_100000212216_100012360047 [1,1,0,0,0,0|2,0,0]=4 1721 B13R1.669 CSCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000751147 [1,1,0,0,0,0|2,0,0]=4 1722 B13R1.669 CSCCSc1ccc(c(c1)F)O 62a_100000185481_100000751147 [1,1,0,0,0,0|2,0,0]=4 1723 B13R1.669 CSCCSc1ccc(c(c1)F)O 62a_100000212216_100000185481 [1,1,0,0,0,0|2,0,0]=4 1724 B13R1.669 CSCCSc1ccc(c(c1)N)O 62a_100000212216_100000752626 [1,1,0,0,0,0|2,0,0]=4 1725 B13R1.669 CSCCSc1ccc(c(c1)N)O 62a_100000752626_100000751147 [1,1,0,0,0,0|2,0,0]=4 1726 B13R1.669 CSCCSc1ccc(c(c1)O)Br 62a_100000212216_100012356990 [1,1,0,0,0,0|2,0,0]=4 1727 B13R1.669 CSCCSc1ccc(c(c1)O)Br 62a_100012356990_100000751147 [1,1,0,0,0,0|2,0,0]=4 1728 B13R1.669 CSCCSc1ccc(c(c1)O)C 62a_100000212216_100000685420 [1,1,0,0,0,0|2,0,0]=4 1729 B13R1.669 CSCCSc1ccc(c(c1)O)C 62a_100000685420_100000751147 [1,1,0,0,0,0|2,0,0]=4 1730 B13R1.669 CSCCSc1ccc(c(c1)O)Cl 62a_100000212216_100011356854 [1,1,0,0,0,0|2,0,0]=4 1731 B13R1.669 CSCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000751147 [1,1,0,0,0,0|2,0,0]=4 1732 B13R1.669 CSCCSc1ccc(c(c1)O)F 62a_100000212216_100000686035 [1,1,0,0,0,0|2,0,0]=4 1733 B13R1.669 CSCCSc1ccc(c(c1)O)F 62a_100000686035_100000751147 [1,1,0,0,0,0|2,0,0]=4 1734 B13R1.669 CSCCSc1ccc(c(c1)O)N 62a_100000212216_100000739049 [1,1,0,0,0,0|2,0,0]=4 1735 B13R1.669 CSCCSc1ccc(c(c1)O)N 62a_100000739049_100000751147 [1,1,0,0,0,0|2,0,0]=4 1736 B13R1.669 CSCCSc1ccc(c(c1)O)O 62a_100000212216_100009813601 [1,1,0,0,0,0|1,0,0]=3 1737 B13R1.669 CSCNCc1ccc(c(c1)F)O 34a_100000758358_100011218213 [1,1,0,0,0,0|2,0,0]=4 1738 B13R1.669 CSCNCc1ccc(c(c1)O)Cl 34a_100020636435_100011218213 [1,1,0,0,0,0|2,0,0]=4 1739 B13R1.669 CSCNCc1ccc(c(c1)O)F 34a_100160469508_100011218213 [1,1,0,0,0,0|2,0,0]=4 1740 B13R1.669 CSCNCc1ccc(c(c1)O)O 34a_100000010075_100011218213 [1,1,0,0,0,0|1,0,0]=3 1741 B13R1.669 Cc1cc(ccc1Cl)OCCN[13CH3] 2230a_100025718798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1742 B13R1.669 Cc1cc(ccc1Cl)OCCN[13CH3] 34a_100025718798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1743 B13R1.669 Cc1ccc(cc1C)CCNCF 34a_100020591374_100015361967 [1,1,0,0,0,0|2,0,0]=4 1744 B13R1.669 Cc1ccc(cc1C)OCCN[13CH3] 2230a_100015185357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1745 B13R1.669 Cc1ccc(cc1C)OCCN[13CH3] 34a_100015185357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1746 B13R1.669 FCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100015361967 [1,1,0,0,0,0|2,0,0]=4 1747 B13R1.669 FCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100015361967 [1,1,0,0,0,0|2,0,0]=4 1748 B13R1.669 FCNCCc1ccc(c(c1)F)F 34a_200000706328_100015361967 [1,1,0,0,0,0|2,0,0]=4 1749 B13R1.669 N#CCCSc1ccc(c(c1)O)O 62a_100011215226_100009813601 [1,1,0,0,0,0|2,0,0]=4 1750 B13R1.669 O=CCNCc1ccc(c(c1)O)O 34a_100000010075_200009817547 [1,1,0,0,0,0|2,0,0]=4 1751 B13R1.669 OCCCNc1ccc(c(c1)O)O 34a_100102946323_100000230001 [1,1,0,0,0,0|2,0,0]=4 1752 B13R1.669 OCCCSc1ccc(c(c1)O)O 62a_100011215043_100009813601 [1,1,0,0,0,0|2,0,0]=4 1753 B13R1.669 OCCNCc1ccc(c(c1)O)O 34a_100000010075_100000211926 [1,1,0,0,0,0|2,0,0]=4 1754 B13R1.669 Oc1ccc(cc1O)CCNCF 34a_100000210387_100015361967 [1,1,0,0,0,0|0,0,0]=2 1755 B13R1.669 Oc1ccc(cc1O)CCSCF 62a_100015361967_200010393615 [1,1,0,0,0,0|1,0,0]=3 1756 B13R1.669 Oc1ccc(cc1O)CNCCF 34a_100000010075_100011217306 [1,1,0,0,0,0|2,0,0]=4 1757 B13R1.669 Oc1ccc(cc1O)NCCCF 34a_100102946323_100011934791 [1,1,0,0,0,0|2,0,0]=4 1758 B13R1.669 Oc1ccc(cc1O)SCCCF 62a_100011934791_100009813601 [1,1,0,0,0,0|2,0,0]=4 1759 B13R1.669 [13CH3]NCCOc1ccc(c(c1)Cl)Cl 2230a_100015199673_200025704644 [1,1,0,0,0,0|2,0,0]=4 1760 B13R1.669 [13CH3]NCCOc1ccc(c(c1)Cl)Cl 34a_100015199673_200025704644 [1,1,0,0,0,0|2,0,0]=4 1761 B13R1.1630 CCCCc1cc(c(cc1Br)Cl)O 271570a_100020621405_100021297947 [1,1,0,0,0,0|2,0,0]=4 1762 B13R1.1630 CCCCc1cc(c(cc1C)F)O 271570a_100020621405_100010068922 [1,1,0,0,0,0|2,0,0]=4 1763 B13R1.1630 CCCCc1cc(c(cc1C)N)O 271570a_100020621405_200010107346 [1,1,0,0,0,0|2,0,0]=4 1764 B13R1.1630 CCCCc1cc(c(cc1C)O)C 271570a_100020621405_100000698207 [1,1,0,0,0,0|2,0,0]=4 1765 B13R1.1630 CCCCc1cc(c(cc1C)O)F 271570a_100020621405_100012355673 [1,1,0,0,0,0|2,0,0]=4 1766 B13R1.1630 CCCCc1cc(c(cc1C)O)N 271570a_100020621405_200010235796 [1,1,0,0,0,0|2,0,0]=4 1767 B13R1.1630 CCCCc1cc(c(cc1Cl)O)N 271570a_100020621405_100011011175 [1,1,0,0,0,0|2,0,0]=4 1768 B13R1.1630 CCCCc1cc(c(cc1F)C)O 271570a_100020621405_100014242602 [1,1,0,0,0,0|2,0,0]=4 1769 B13R1.1630 CCCCc1cc(c(cc1F)Cl)O 271570a_100020621405_100010735246 [1,1,0,0,0,0|2,0,0]=4 1770 B13R1.1630 CCCCc1cc(c(cc1F)F)O 271570a_100020621405_100012457948 [1,1,0,0,0,0|2,0,0]=4 1771 B13R1.1630 CCCCc1cc(c(cc1F)N)O 271570a_100020621405_100013038943 [1,1,0,0,0,0|2,0,0]=4 1772 B13R1.1630 CCCCc1cc(c(cc1F)O)F 271570a_100020621405_100011830439 [1,1,0,0,0,0|2,0,0]=4 1773 B13R1.1630 CCCCc1cc(c(cc1F)O)N 271570a_100020621405_100012359894 [1,1,0,0,0,0|2,0,0]=4 1774 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [1,1,0,0,0,0|1,0,1]=4 1775 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100011215416 [1,1,0,0,0,0|2,0,0]=4 1776 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)O 62a_100000758301_100009813601 [1,1,0,0,0,0|2,0,0]=4 1777 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 240690a_100102657272_100009990404 [1,1,0,0,0,0|1,0,1]=4 1778 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 527a_100102657272_100009990404 [1,1,0,0,0,0|1,0,1]=4 1779 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 240690a_100102657272_100000083968 [1,1,0,0,0,0|1,0,1]=4 1780 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 527a_100102657272_100000083968 [1,1,0,0,0,0|1,0,1]=4 1781 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100102657272_100000035197 [1,1,0,0,0,0|1,0,1]=4 1782 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 527a_100102657272_100000035197 [1,1,0,0,0,0|1,0,1]=4 1783 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 240690a_100102657272_100000039761 [1,1,0,0,0,0|1,0,1]=4 1784 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 527a_100102657272_100000039761 [1,1,0,0,0,0|1,0,1]=4 1785 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 11a_106832991635_100000082272 [1,1,0,0,0,0|1,0,1]=4 1786 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 240690a_100102657272_100000082272 [1,1,0,0,0,0|1,0,1]=4 1787 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 527a_100102657272_100000082272 [1,1,0,0,0,0|1,0,1]=4 1788 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [1,1,0,0,0,0|0,0,1]=3 1789 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100102657272 [1,1,0,0,0,0|1,0,1]=4 1790 B13R1.2879 CNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_106832991635_100011586667 [1,1,0,0,0,0|2,0,0]=4 1791 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222482 [1,1,0,0,0,0|1,0,1]=4 1792 B13R1.2879 COC(C)Sc1ccc(c(c1)O)O 62a_100009879195_100009813601 [1,1,0,0,0,0|2,0,0]=4 1793 B13R1.3518 CCCCc1ccc(c(c1C)C)O 271570a_100020621405_100012353674 [1,1,0,0,0,0|2,0,0]=4 1794 B13R1.3518 CCCCc1ccc(c(c1C)N)O 271570a_100020621405_100013039247 [1,1,0,0,0,0|2,0,0]=4 1795 B13R1.3518 CCCCc1ccc(c(c1F)C)O 271570a_100020621405_100010390934 [1,1,0,0,0,0|2,0,0]=4 1796 B13R1.3518 CCCCc1ccc(c(c1F)F)O 271570a_100020621405_100011830415 [1,1,0,0,0,0|2,0,0]=4 1797 B13R1.3518 CCCCc1ccc(c(c1F)O)Br 271570a_100020621405_200010782288 [1,1,0,0,0,0|2,0,0]=4 1798 B13R1.3518 CCCCc1ccc(c(c1F)O)F 271570a_100020621405_100010167067 [1,1,0,0,0,0|2,0,0]=4 1799 B13R1.3518 CCCCc1ccc(c(c1N)O)Br 271570a_100020621405_100020748643 [1,1,0,0,0,0|2,0,0]=4 1800 B15R1.766 CCCC(C)Sc1cc(c(c(c1)F)O)O 62a_100000766640_100010114375 [0,1,0,0,0,1|2,0,0]=4 1801 B15R1.766 CCCC(C)Sc1cc(c(c(c1)O)O)O 62a_100000766640_100010658518 [0,1,0,0,0,1|2,0,0]=4 1802 B15R1.766 COCC(C)Sc1cc(c(c(c1)F)O)O 62a_100000765312_100010114375 [0,1,0,0,0,1|2,0,0]=4 1803 B15R1.766 COCC(C)Sc1cc(c(c(c1)O)O)O 62a_100000765312_100010658518 [0,1,0,0,0,1|2,0,0]=4 1804 B15R1.883 CC(C)CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000731052 [0,1,0,0,0,1|2,0,0]=4 1805 B15R1.883 CC(C)CC(C)Sc1ccc(c(c1)O)O 62a_100000731052_100009813601 [0,1,0,0,0,1|2,0,0]=4 1806 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)Br)O 62a_100012361655_100020606517 [0,1,0,0,0,1|2,0,0]=4 1807 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)Br)O 62a_100020606517_100012361655 [0,1,0,0,0,1|2,0,0]=4 1808 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100020606517 [0,1,0,0,0,1|2,0,0]=4 1809 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)Cl)O 62a_100020606517_100012360047 [0,1,0,0,0,1|2,0,0]=4 1810 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)F)O 62a_100000185481_100020606517 [0,1,0,0,0,1|2,0,0]=4 1811 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)F)O 62a_100020606517_100000185481 [0,1,0,0,0,1|2,0,0]=4 1812 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)N)O 62a_100000752626_100020606517 [0,1,0,0,0,1|2,0,0]=4 1813 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)N)O 62a_100020606517_100000752626 [0,1,0,0,0,1|2,0,0]=4 1814 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)Br 62a_100012356990_100020606517 [0,1,0,0,0,1|2,0,0]=4 1815 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)Br 62a_100020606517_100012356990 [0,1,0,0,0,1|2,0,0]=4 1816 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100020606517 [0,1,0,0,0,1|2,0,0]=4 1817 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)Cl 62a_100020606517_100011356854 [0,1,0,0,0,1|2,0,0]=4 1818 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)F 62a_100000686035_100020606517 [0,1,0,0,0,1|2,0,0]=4 1819 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)F 62a_100020606517_100000686035 [0,1,0,0,0,1|2,0,0]=4 1820 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)N 62a_100000739049_100020606517 [0,1,0,0,0,1|2,0,0]=4 1821 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)N 62a_100020606517_100000739049 [0,1,0,0,0,1|2,0,0]=4 1822 B15R1.883 CC(CN(C)C)Sc1ccc(c(c1)O)O 62a_100020606517_100009813601 [0,1,0,0,0,1|1,0,0]=3 1823 B15R1.883 CN(C)CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000750896 [0,1,0,0,0,1|0,0,2]=4 1824 B15R1.883 CN(C)CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000750896 [0,1,0,0,0,1|0,0,2]=4 1825 B15R1.883 Cc1cc(ccc1O)SC(C)CN(C)C 62a_100020606517_100000186361 [0,1,0,0,0,1|2,0,0]=4 1826 B15R1.883 Cc1ccc(cc1O)SC(C)CN(C)C 62a_100000685420_100020606517 [0,1,0,0,0,1|2,0,0]=4 1827 B15R1.883 Cc1ccc(cc1O)SC(C)CN(C)C 62a_100020606517_100000685420 [0,1,0,0,0,1|2,0,0]=4 1828 B15R1.1277 CCCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100000766640 [0,1,0,0,0,1|2,0,0]=4 1829 B15R1.1277 CCCC(C)Sc1ccc(c(c1)CO)O 62a_100000184703_100000766640 [0,1,0,0,0,1|2,0,0]=4 1830 B15R1.1277 CCCC(C)Sc1ccc(c(c1)CO)O 62a_100000766640_100000184703 [0,1,0,0,0,1|2,0,0]=4 1831 B15R1.1277 CCCC(C)Sc1ccc(c(c1)OC)O 62a_100000766640_100000694246 [0,1,0,0,0,1|2,0,0]=4 1832 B15R1.1277 COCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100000765312 [0,1,0,0,0,1|2,0,0]=4 1833 B15R1.1277 COCC(C)Sc1ccc(c(c1)CO)O 62a_100000184703_100000765312 [0,1,0,0,0,1|2,0,0]=4 1834 B15R1.1277 COCC(C)Sc1ccc(c(c1)CO)O 62a_100000765312_100000184703 [0,1,0,0,0,1|2,0,0]=4 1835 B15R1.1277 COCC(C)Sc1ccc(c(c1)OC)O 62a_100000765312_100000694246 [0,1,0,0,0,1|2,0,0]=4 1836 B15R1.1279 CCCC(C)Nc1ccc(c(c1)O)OC 34a_100000211920_100000766640 [0,1,0,0,0,1|2,0,0]=4 1837 B15R1.1279 CCCC(C)Sc1ccc(c(c1)O)CO 62a_100000071718_100000766640 [0,1,0,0,0,1|2,0,0]=4 1838 B15R1.1279 CCCC(C)Sc1ccc(c(c1)O)CO 62a_100000766640_100000071718 [0,1,0,0,0,1|2,0,0]=4 1839 B15R1.1279 CCCC(C)Sc1ccc(c(c1)O)OC 62a_100000766640_100009816560 [0,1,0,0,0,1|2,0,0]=4 1840 B15R1.1279 COCC(C)Nc1ccc(c(c1)O)OC 34a_100000211920_100000765312 [0,1,0,0,0,1|2,0,0]=4 1841 B15R1.1279 COCC(C)Sc1ccc(c(c1)O)CO 62a_100000071718_100000765312 [0,1,0,0,0,1|2,0,0]=4 1842 B15R1.1279 COCC(C)Sc1ccc(c(c1)O)CO 62a_100000765312_100000071718 [0,1,0,0,0,1|2,0,0]=4 1843 B15R1.1279 COCC(C)Sc1ccc(c(c1)O)OC 62a_100000765312_100009816560 [0,1,0,0,0,1|2,0,0]=4 1844 B15R1.3908 CCCCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_200011215066 [0,1,0,0,0,1|2,0,0]=4 1845 B15R1.3908 CCCCC(C)Sc1ccc(c(c1)O)O 62a_200011215066_100009813601 [0,1,0,0,0,1|2,0,0]=4 1846 B15R1.3956 CCCC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000766640 [0,1,0,0,0,1|2,0,0]=4 1847 B15R1.3956 COCC(C)C(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000765312 [0,1,0,0,0,1|2,0,0]=4 1848 B15R1.4404 CCCC(CC)Sc1ccc(c(c1)O)O 62a_100011219200_100009813601 [0,1,0,0,0,1|2,0,0]=4 1849 B15R1.5521 CCC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100000210202 [0,1,0,0,0,1|1,0,1]=4 1850 B15R1.5521 CNC(=O)C(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000731044 [0,1,0,0,0,1|1,0,1]=4 1851 B15R1.5521 CNC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100000209862_100009813601 [0,1,0,0,0,1|1,0,1]=4 1852 B15R1.5521 CNC(=O)C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100009813575 [0,1,0,0,0,1|1,0,1]=4 1853 B15R1.5521 CNC(=O)C(F)Sc1ccc(c(c1)O)O 62a_100009813575_100009813601 [0,1,0,0,0,1|1,0,1]=4 1854 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 2230a_106832991635_100000184214 [0,2,0,0,0,0|0,0,2]=4 1855 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 7a_106832991635_100000184214 [0,2,0,0,0,0|0,0,2]=4 1856 B15R1.815 CNCC(C)c1ccc(c(c1)OC)OC 270004a_106832991635_100000697277 [0,2,0,0,0,0|1,0,0]=3 1857 B15R1.815 COC[C@H](N)c1ccc(c(c1)OC)OC 34a_100009818805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1858 B15R1.815 COc1ccc(cc1OC)[C@@H](N)CO[13CH3] 34a_100009818805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1859 B15R1.4029 CCC(=O)C(O)c1ccc(c(c1)OC)O 1458a_100000036414_100000210202 [0,2,0,0,0,0|1,0,1]=4 1860 B15R1.4029 CNC(=O)C(O)c1ccc(c(c1)OC)O 240690a_100102657272_100000036414 [0,2,0,0,0,0|0,0,1]=3 1861 B15R1.4037 CC(C)C[C@H](N)c1ccc(c(c1)CO)O 271570a_100015190218_100000184703 [0,2,0,0,0,0|2,0,0]=4 1862 B15R1.4037 CN(C)CC(=O)c1ccc(c(c1)CO)O 269982a_100102631434_100010262812 [0,2,0,0,0,0|0,0,2]=4 1863 B15R1.4037 COc1cc(ccc1O)C(=O)CN(C)C 269982a_100102631434_100010206313 [0,2,0,0,0,0|0,0,2]=4 1864 B15R1.4037 COc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000694246 [0,2,0,0,0,0|2,0,0]=4 1865 B15R1.1245 CCCNC(C)c1ccc(c(c1)O)OC 269862a_100020643023_100000732934 [0,2,0,0,0,0|2,0,0]=4 1866 B15R1.3776 CC(C)C[C@H](N)c1ccc(c(c1)O)CO 271570a_100015190218_100000071718 [0,2,0,0,0,0|2,0,0]=4 1867 B15R1.3776 COc1ccc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100009816560 [0,2,0,0,0,0|2,0,0]=4 1868 B15R1.758 CCN(C)CC(=O)c1ccc(c(c1)O)O 269982a_100000225621_100000183813 [0,2,0,0,0,0|0,0,2]=4 1869 B15R1.758 CCN(C)C[C@@H](O)c1ccc(c(c1)F)F 2230a_100000225621_100000761251 [0,2,0,0,0,0|2,0,0]=4 1870 B15R1.758 CCN(C)C[C@@H](O)c1ccc(c(c1)F)F 269982a_100000225621_100000761251 [0,2,0,0,0,0|2,0,0]=4 1871 B15R1.758 CNC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000183359 [0,2,0,0,0,0|0,0,2]=4 1872 B15R1.890 CC(C)C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210206 [0,2,0,0,0,0|1,0,1]=4 1873 B15R1.890 CN(C)C(=O)C(O)c1ccc(c(c1)O)O 240690a_100102631434_200000032065 [0,2,0,0,0,0|0,0,1]=3 1874 B15R1.889 CC(=O)NCC(O)c1ccc(c(c1)O)O 527a_100000106456_100103153847 [0,2,0,0,0,0|0,0,0]=2 1875 B15R1.889 CC(C)NCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210206 [0,2,0,0,0,0|0,0,0]=2 1876 B15R1.889 CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 2230a_100138425928_100000761251 [0,2,0,0,0,0|2,0,0]=4 1877 B15R1.889 CC(C)NC[C@@H](O)c1ccc(c(c1)F)F 34a_100138425928_100000761251 [0,2,0,0,0,0|2,0,0]=4 1878 B15R1.1404 C#CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000184674 [0,2,0,0,0,0|0,0,0]=2 1879 B15R1.1404 C#CCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100000212058_100000761251 [0,2,0,0,0,0|2,0,0]=4 1880 B15R1.1404 C=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100015514636 [0,2,0,0,0,0|0,0,0]=2 1881 B15R1.1404 C=CCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100020586998_100000761251 [0,2,0,0,0,0|2,0,0]=4 1882 B15R1.1404 CCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000210303 [0,2,0,0,0,0|0,0,0]=2 1883 B15R1.1404 CSCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100011218213 [0,2,0,0,0,0|0,0,0]=2 1884 B15R1.1404 O=CCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200009817547 [0,2,0,0,0,0|0,0,0]=2 1885 B15R1.1404 OCCNCC(O)c1ccc(c(c1)O)O 34a_100000106456_100000211926 [0,2,0,0,0,0|0,0,0]=2 1886 B15R1.1404 OCCNC[C@@H](O)c1ccc(c(c1)F)F 2230a_100016997473_100000761251 [0,2,0,0,0,0|2,0,0]=4 1887 B15R1.1404 OCCNC[C@@H](O)c1ccc(c(c1)F)F 34a_100016990907_100000761251 [0,2,0,0,0,0|2,0,0]=4 1888 B15R1.1404 O[C@H](CNCCF)c1ccc(c(c1)F)F 34a_100000724931_100000761251 [0,2,0,0,0,0|2,0,0]=4 1889 B15R1.1404 Oc1ccc(cc1O)C(O)CNCCF 34a_100000106456_100011217306 [0,2,0,0,0,0|0,0,0]=2 1890 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [1,0,0,1,0,0|2,0,0]=4 1891 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [1,0,0,1,0,0|2,0,0]=4 1892 B13R2.42 CNC1CC1c2ccc(cc2)Br 2230a_100000755575_200000210301 [1,0,0,1,0,0|2,0,0]=4 1893 B13R2.42 CNC1CC1c2ccc(cc2)Br 34a_100000755575_200000210301 [1,0,0,1,0,0|2,0,0]=4 1894 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200000210301 [1,0,0,1,0,0|2,0,0]=4 1895 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200000210301 [1,0,0,1,0,0|2,0,0]=4 1896 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 2230a_100000755575_200025704644 [1,0,0,1,0,0|2,0,0]=4 1897 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 34a_100000755575_200025704644 [1,0,0,1,0,0|2,0,0]=4 1898 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200025704644 [1,0,0,1,0,0|2,0,0]=4 1899 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200025704644 [1,0,0,1,0,0|2,0,0]=4 1900 B13R2.520 Oc1ccc(cc1)C(O)C2CC2 271570a_203496583355_100000756592 [1,0,0,1,0,0|1,0,0]=3 1901 B13R2.2986 NC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100000746438 [1,0,0,1,0,0|2,0,0]=4 1902 B13R2.2986 Oc1ccc(cc1)C2(CCC2)O 271570a_203496583355_100010132843 [1,0,0,1,0,0|1,0,0]=3 1903 B13R2.2986 Oc1ccc(cc1)C2(COC2)O 271570a_203496583355_100010074357 [1,0,0,1,0,0|1,0,0]=3 1904 B13R2.2986 Oc1ccc(nc1)C2(COC2)O 271570a_203496583355_200010113846 [1,0,0,1,0,0|2,0,0]=4 1905 B13R2.5179 N[C@H]1CCCc2c1ccc(c2)O 271570a_203496583355_100160469487 [1,0,0,1,0,0|2,0,0]=4 1906 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [1,0,0,1,0,0|2,0,0]=4 1907 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [1,0,0,1,0,0|2,0,0]=4 1908 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [1,0,0,1,0,0|2,0,0]=4 1909 B13R2.162 NC1CCCc2c1cc(cc2)O 271570a_203496583355_100011742594 [1,0,0,1,0,0|2,0,0]=4 1910 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [1,0,0,1,0,0|1,0,0]=3 1911 B13R2.162 Oc1ccc2c(c1)C(CCO2)O 271570a_203496583355_100000760992 [1,0,0,1,0,0|2,0,0]=4 1912 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [1,0,0,1,0,0|2,0,0]=4 1913 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [1,0,0,1,0,0|1,0,0]=3 1914 B13R2.3018 Oc1cccc(c1)C2(CCC2)O 271570a_203496583355_200010765678 [1,0,0,1,0,0|1,0,0]=3 1915 B13R2.32 Oc1ccc2c(c1O)CCCC2 271570a_203496583355_200010391107 [1,0,0,1,0,0|1,0,0]=3 1916 B13R2.521 Oc1ccc(cc1O)NC2CC2 34a_100102946323_100000211595 [1,0,0,1,0,0|2,0,0]=4 1917 B15R2.92 Oc1ccc(cc1O)NC2CCCC2 34a_100102946323_100000179811 [0,0,0,1,0,1|2,0,0]=4 1918 B15R2.92 Oc1ccc(cc1O)NC2CCOC2 34a_100102946323_100000690089 [0,0,0,1,0,1|2,0,0]=4 1919 B15R2.92 Oc1ccc(cc1O)SC2CCCC2 62a_100011217020_100009813601 [0,0,0,1,0,1|2,0,0]=4 1920 B15R2.94 Oc1ccc(cc1O)C2=CCCCO2 271570a_100010177797_100009813601 [0,1,0,1,0,0|1,0,1]=4 1921 B15R2.94 Oc1ccc(cc1O)C2=CCNCC2 271570a_100000731432_100009813601 [0,1,0,1,0,0|1,0,1]=4 1922 B15R2.94 Oc1ccc(cc1O)C2=COCCC2 271570a_100010175576_100009813601 [0,1,0,1,0,0|1,0,1]=4 1923 B15R2.1350 CNCC(=O)c1ccc2c(c1)OCO2 7a_106832991635_100000181162 [0,1,0,1,0,0|0,0,2]=4 1924 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 2230a_200020586543_200025704644 [1,0,0,0,0,1|2,0,0]=4 1925 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 34a_200020586543_200025704644 [1,0,0,0,0,1|2,0,0]=4 1926 B13R1.19 CCCC(C)Nc1ccc(cc1)O 34a_100000185829_100000766640 [1,0,0,0,0,1|2,0,0]=4 1927 B13R1.19 CCCC(C)Sc1ccc(cc1)O 62a_100000766640_100000185759 [1,0,0,0,0,1|2,0,0]=4 1928 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100000233757 [1,0,0,0,0,1|0,0,2]=4 1929 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 34a_100102657272_100000233757 [1,0,0,0,0,1|0,0,2]=4 1930 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 7a_106832991635_100000233757 [1,0,0,0,0,1|0,0,2]=4 1931 B13R1.19 CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_200000210301 [1,0,0,0,0,1|2,0,0]=4 1932 B13R1.19 CNCC(C)Oc1ccc(cc1)C 34a_100000763606_200000210301 [1,0,0,0,0,1|2,0,0]=4 1933 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_106832991635_100010228477 [1,0,0,0,0,1|2,0,0]=4 1934 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_200000210301 [1,0,0,0,0,1|2,0,0]=4 1935 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_100102657272_100010228477 [1,0,0,0,0,1|2,0,0]=4 1936 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_200020586543_200000210301 [1,0,0,0,0,1|2,0,0]=4 1937 B13R1.19 CNCC(C)Oc1ccc(cc1)F 7a_106832991635_100010228477 [1,0,0,0,0,1|2,0,0]=4 1938 B13R1.19 COCC(C)Nc1ccc(cc1)O 34a_100000185829_100000765312 [1,0,0,0,0,1|2,0,0]=4 1939 B13R1.19 COCC(C)Sc1ccc(cc1)O 62a_100000765312_100000185759 [1,0,0,0,0,1|2,0,0]=4 1940 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 2230a_100000763606_200025704644 [1,0,0,0,0,1|2,0,0]=4 1941 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 34a_100000763606_200025704644 [1,0,0,0,0,1|2,0,0]=4 1942 B13R1.20 CCCC(C)Nc1cccc(c1)O 34a_100000210217_100000766640 [1,0,0,0,0,1|2,0,0]=4 1943 B13R1.20 CCCC(C)Sc1cccc(c1)O 62a_100000766640_100000211634 [1,0,0,0,0,1|2,0,0]=4 1944 B13R1.20 CNCC(=O)Nc1cccc(c1)O 2230a_106832991635_100011236192 [1,0,0,0,0,1|0,0,2]=4 1945 B13R1.20 CNCC(=O)Nc1cccc(c1)O 34a_100102657272_100011236192 [1,0,0,0,0,1|0,0,2]=4 1946 B13R1.20 CNCC(=O)Nc1cccc(c1)O 7a_106832991635_100011236192 [1,0,0,0,0,1|0,0,2]=4 1947 B13R1.20 COCC(C)Nc1cccc(c1)O 34a_100000210217_100000765312 [1,0,0,0,0,1|2,0,0]=4 1948 B13R1.20 COCC(C)Sc1cccc(c1)O 62a_100000765312_100000211634 [1,0,0,0,0,1|2,0,0]=4 1949 B15R1.10390 CCCC(C)CNc1ccc(c(c1)O)O 34a_100102946323_100011216630 [0,0,0,0,0,2|2,0,0]=4 1950 B15R1.10390 CCCC(C)CSc1ccc(c(c1)O)O 62a_100011216630_100009813601 [0,0,0,0,0,2|2,0,0]=4 1951 B15R1.10390 CCCC(C)NCc1ccc(c(c1)O)O 34a_100000010075_100000766640 [0,0,0,0,0,2|2,0,0]=4 1952 B15R1.10390 CNCC(O)COc1ccc(c(c1)C)Cl 2230a_100011226696_200000210301 [0,0,0,0,0,2|2,0,0]=4 1953 B15R1.10390 CNCC(O)COc1ccc(c(c1)C)Cl 34a_100011226696_200000210301 [0,0,0,0,0,2|2,0,0]=4 1954 B15R1.10390 COCC(C)NCc1ccc(c(c1)O)O 34a_100000010075_100000765312 [0,0,0,0,0,2|2,0,0]=4 1955 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011215053 [0,0,0,0,0,2|2,0,0]=4 1956 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)O 34a_100011218179_100011215053 [0,0,0,0,0,2|2,0,0]=4 1957 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)O 7a_100011218179_100011215053 [0,0,0,0,0,2|2,0,0]=4 1958 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011215053 [0,0,0,0,0,2|2,0,0]=4 1959 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011215053 [0,0,0,0,0,2|2,0,0]=4 1960 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011215053 [0,0,0,0,0,2|2,0,0]=4 1961 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)C 34a_100000759471_100011215053 [0,0,0,0,0,2|2,0,0]=4 1962 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)C 7a_100000759471_100011215053 [0,0,0,0,0,2|2,0,0]=4 1963 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011215053 [0,0,0,0,0,2|2,0,0]=4 1964 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011215053 [0,0,0,0,0,2|2,0,0]=4 1965 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011215053 [0,0,0,0,0,2|2,0,0]=4 1966 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011215053 [0,0,0,0,0,2|1,0,0]=3 1967 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)O 62a_100011215053_100012361655 [0,0,0,0,0,2|2,0,0]=4 1968 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011215053 [0,0,0,0,0,2|2,0,0]=4 1969 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)O 62a_100011215053_100000186361 [0,0,0,0,0,2|2,0,0]=4 1970 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)O 62a_100011215053_100012360047 [0,0,0,0,0,2|2,0,0]=4 1971 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011215053 [0,0,0,0,0,2|2,0,0]=4 1972 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011215053 [0,0,0,0,0,2|2,0,0]=4 1973 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)O 62a_100011215053_100000185481 [0,0,0,0,0,2|2,0,0]=4 1974 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011215053 [0,0,0,0,0,2|2,0,0]=4 1975 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)O 62a_100011215053_100000752626 [0,0,0,0,0,2|2,0,0]=4 1976 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Br 62a_100011215053_100012356990 [0,0,0,0,0,2|2,0,0]=4 1977 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011215053 [0,0,0,0,0,2|2,0,0]=4 1978 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)C 62a_100000685420_100011215053 [0,0,0,0,0,2|2,0,0]=4 1979 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)C 62a_100011215053_100000685420 [0,0,0,0,0,2|2,0,0]=4 1980 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Cl 62a_100011215053_100011356854 [0,0,0,0,0,2|2,0,0]=4 1981 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011215053 [0,0,0,0,0,2|2,0,0]=4 1982 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011215053 [0,0,0,0,0,2|2,0,0]=4 1983 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)F 62a_100011215053_100000686035 [0,0,0,0,0,2|2,0,0]=4 1984 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)N 62a_100000739049_100011215053 [0,0,0,0,0,2|2,0,0]=4 1985 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)N 62a_100011215053_100000739049 [0,0,0,0,0,2|2,0,0]=4 1986 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)O 62a_100011215053_100009813601 [0,0,0,0,0,2|1,0,0]=3 1987 B15R1.10390 Cc1cc(ccc1Cl)OCC(O)CN[13CH3] 2230a_100011226696_200025704644 [0,0,0,0,0,2|2,0,0]=4 1988 B15R1.10390 Cc1cc(ccc1Cl)OCC(O)CN[13CH3] 34a_100011226696_200025704644 [0,0,0,0,0,2|2,0,0]=4 1989 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)O)O 62a_100000001066_100009813601 [0,0,0,0,0,2|2,0,0]=4