0 B21R2.2538 C/C=C/c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100016259036 [0,0,0,0,0,0|3,0,1]=4 1 B21R2.2538 C/C=C/c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100016259036_100000729684 [0,0,0,0,0,0|3,0,1]=4 2 B21R2.2538 C=COc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000704263_100000729684 [0,0,0,0,0,0|2,0,2]=4 3 B21R2.2538 C=COc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000704263 [0,0,0,0,0,0|2,0,2]=4 4 B21R2.2538 CCCc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000229940 [0,0,0,0,0,0|2,0,2]=4 5 B21R2.2538 CCCc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000229940 [0,0,0,0,0,0|2,0,2]=4 6 B21R2.2538 CCCc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000701038_100011982809 [0,0,0,0,0,0|2,0,2]=4 7 B21R2.2538 CCCc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100020632977_100000756946 [0,0,0,0,0,0|2,0,2]=4 8 B21R2.2538 CCCc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000229940 [0,0,0,0,0,0|2,0,2]=4 9 B21R2.2538 CCCc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100020632977_100000212034 [0,0,0,0,0,0|2,0,2]=4 10 B21R2.2538 CCCc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000701038_100011982809 [0,0,0,0,0,0|2,0,2]=4 11 B21R2.2538 CCCc1ccc(cc1)CNCC(C)c2ccccc2 34a_100020632977_100000756946 [0,0,0,0,0,0|2,0,2]=4 12 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000229940 [0,0,0,0,0,0|1,0,2]=3 13 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100011982809 [0,0,0,0,0,0|1,0,2]=3 14 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100020632977_100000185958 [0,0,0,0,0,0|1,0,2]=3 15 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000229940 [0,0,0,0,0,0|1,0,2]=3 16 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100020632977_100000185958 [0,0,0,0,0,0|1,0,2]=3 17 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000229940 [0,0,0,0,0,0|2,0,2]=4 18 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccn2 2230a_100000691469_100011982809 [0,0,0,0,0,0|2,0,2]=4 19 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000229940 [0,0,0,0,0,0|2,0,2]=4 20 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000229940 [0,0,0,0,0,0|2,0,2]=4 21 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2cccnc2 2230a_100020605170_100011982809 [0,0,0,0,0,0|2,0,2]=4 22 B21R2.2538 CCCc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000229940 [0,0,0,0,0,0|2,0,2]=4 23 B21R2.2538 CCCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100020632977_100011933945 [0,0,0,0,0,0|1,0,2]=3 24 B21R2.2538 CCCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100020632977_100011933945 [0,0,0,0,0,0|1,0,2]=3 25 B21R2.2538 CCCc1ccc(cc1)COCC(C)c2ccccc2 34a_100011215166_100011982809 [0,0,0,0,0,0|3,0,1]=4 26 B21R2.2538 CCCc1ccc(cc1)COCC(C)c2ccccc2 7a_100011215166_100011982809 [0,0,0,0,0,0|3,0,1]=4 27 B21R2.2538 CCCc1ccc(cc1)COC[C@@H](N)c2ccccc2 34a_100000751927_100011982809 [0,0,0,0,0,0|3,0,1]=4 28 B21R2.2538 CCCc1ccc(cc1)CSCC(C)c2ccccc2 62a_100000756946_100011982809 [0,0,0,0,0,0|3,0,1]=4 29 B21R2.2538 CCCc1ccc(cc1)CSCC(C)c2ccccc2 62a_100011982809_100000756946 [0,0,0,0,0,0|3,0,1]=4 30 B21R2.2538 CCCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100011982809 [0,0,0,0,0,0|2,0,1]=3 31 B21R2.2538 CCCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100011982809_100000185958 [0,0,0,0,0,0|2,0,1]=3 32 B21R2.2538 CCCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100011982809 [0,0,0,0,0,0|2,0,1]=3 33 B21R2.2538 CCCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011982809_100011933945 [0,0,0,0,0,0|2,0,1]=3 34 B21R2.2538 CCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000211780_100000729684 [0,0,0,0,0,0|3,0,0]=3 35 B21R2.2538 CCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000211780_100000729684 [0,0,0,0,0,0|3,0,0]=3 36 B21R2.2538 CCCc1ccc(cc1)NN=CC(C)c2ccccc2 4a_100015306804_100000212034 [0,0,0,0,0,0|3,0,1]=4 37 B21R2.2538 CCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000749406_100000729684 [0,0,0,0,0,0|3,0,0]=3 38 B21R2.2538 CCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000749406_100000729684 [0,0,0,0,0,0|3,0,0]=3 39 B21R2.2538 CCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000750032 [0,0,0,0,0,0|3,0,0]=3 40 B21R2.2538 CCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000750032_100000729684 [0,0,0,0,0,0|3,0,0]=3 41 B21R2.2538 CCNc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100011337800_100000729684 [0,0,0,0,0,0|3,0,0]=3 42 B21R2.2538 CCNc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100011337800_100000729684 [0,0,0,0,0,0|3,0,0]=3 43 B21R2.2538 CCNc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000219632 [0,0,0,0,0,0|3,0,0]=3 44 B21R2.2538 CCNc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000741496 [0,0,0,0,0,0|4,0,0]=4 45 B21R2.2538 CCNc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000741496_100000729684 [0,0,0,0,0,0|4,0,0]=4 46 B21R2.2538 CCOc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000169836 [0,0,0,0,0,0|1,0,2]=3 47 B21R2.2538 CCOc1ccc(cc1)C=NNC(=O)c2ccccn2 4a_100000184044_100000169836 [0,0,0,0,0,0|2,0,2]=4 48 B21R2.2538 CCOc1ccc(cc1)C=NNC(=O)c2cccnc2 4a_100000189771_100000169836 [0,0,0,0,0,0|2,0,2]=4 49 B21R2.2538 CCOc1ccc(cc1)C=NNC(=O)c2ccncc2 4a_100000189768_100000169836 [0,0,0,0,0,0|2,0,2]=4 50 B21R2.2538 CCOc1ccc(cc1)CCNC(C)c2ccccc2 2230a_100011194255_100000230085 [0,0,0,0,0,0|3,0,1]=4 51 B21R2.2538 CCOc1ccc(cc1)CCNC(C)c2ccccc2 269862a_100011194255_100000185851 [0,0,0,0,0,0|3,0,1]=4 52 B21R2.2538 CCOc1ccc(cc1)CCNC(C)c2ccccc2 34a_100011194255_100000211855 [0,0,0,0,0,0|3,0,1]=4 53 B21R2.2538 CCOc1ccc(cc1)CCOC(C)c2ccccc2 34a_100011217992_100000211855 [0,0,0,0,0,0|3,0,1]=4 54 B21R2.2538 CCOc1ccc(cc1)CCOC(C)c2ccccc2 7a_100011217992_100000230085 [0,0,0,0,0,0|3,0,1]=4 55 B21R2.2538 CCOc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000169836 [0,0,0,0,0,0|1,0,2]=3 56 B21R2.2538 CCOc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000185588_100000756946 [0,0,0,0,0,0|1,0,2]=3 57 B21R2.2538 CCOc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000185588_100000212034 [0,0,0,0,0,0|1,0,2]=3 58 B21R2.2538 CCOc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000169836 [0,0,0,0,0,0|1,0,2]=3 59 B21R2.2538 CCOc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000185588_100000756946 [0,0,0,0,0,0|1,0,2]=3 60 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000169836 [0,0,0,0,0,0|0,0,2]=2 61 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000185588_100000185958 [0,0,0,0,0,0|0,0,2]=2 62 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000169836 [0,0,0,0,0,0|0,0,2]=2 63 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000185588_100000185958 [0,0,0,0,0,0|0,0,2]=2 64 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000169836 [0,0,0,0,0,0|1,0,2]=3 65 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000169836 [0,0,0,0,0,0|1,0,2]=3 66 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000169836 [0,0,0,0,0,0|1,0,2]=3 67 B21R2.2538 CCOc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000169836 [0,0,0,0,0,0|1,0,2]=3 68 B21R2.2538 CCOc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000185588_100011933945 [0,0,0,0,0,0|0,0,2]=2 69 B21R2.2538 CCOc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000185588_100011933945 [0,0,0,0,0,0|0,0,2]=2 70 B21R2.2538 CCOc1ccc(cc1)COCC(=O)c2ccccc2 7a_100000173027_100000211460 [0,0,0,0,0,0|1,0,3]=4 71 B21R2.2538 CCOc1ccc(cc1)COCC(C)c2ccccc2 34a_100000173027_100000756946 [0,0,0,0,0,0|2,0,1]=3 72 B21R2.2538 CCOc1ccc(cc1)COCC(C)c2ccccc2 7a_100000173027_100000756946 [0,0,0,0,0,0|2,0,1]=3 73 B21R2.2538 CCOc1ccc(cc1)COCC(O)c2ccccc2 34a_100000173027_100000185958 [0,0,0,0,0,0|1,0,1]=2 74 B21R2.2538 CCOc1ccc(cc1)COCC(O)c2ccccc2 7a_100000173027_100000185958 [0,0,0,0,0,0|1,0,1]=2 75 B21R2.2538 CCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000173027_100011933945 [0,0,0,0,0,0|1,0,1]=2 76 B21R2.2538 CCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100000173027_100011933945 [0,0,0,0,0,0|1,0,1]=2 77 B21R2.2538 CCOc1ccc(cc1)NCCC(=O)c2ccccc2 2230a_100000739623_100000750707 [0,0,0,0,0,0|2,0,2]=4 78 B21R2.2538 CCOc1ccc(cc1)NCCS(=O)c2ccccc2 2230a_100000739623_100000740319 [0,0,0,0,0,0|3,0,1]=4 79 B21R2.2538 CCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000739623_100000729684 [0,0,0,0,0,0|2,0,0]=2 80 B21R2.2538 CCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000739623_100000729684 [0,0,0,0,0,0|2,0,0]=2 81 B21R2.2538 CCOc1ccc(cc1)NN=CC(C)c2ccccc2 4a_100000738955_100000212034 [0,0,0,0,0,0|2,0,1]=3 82 B21R2.2538 CCOc1ccc(cc1)OCCC(=O)c2ccccc2 1458a_100000185807_100000183166 [0,0,0,0,0,0|2,0,2]=4 83 B21R2.2538 CCOc1ccc(cc1)OCCN(C)c2ccccc2 2230a_100000210012_100000183166 [0,0,0,0,0,0|4,0,0]=4 84 B21R2.2538 CCOc1ccc(cc1)OCCN(C)c2ccccc2 269982a_100000210012_100000183166 [0,0,0,0,0,0|4,0,0]=4 85 B21R2.2538 CCOc1ccc(cc1)OCCN(C)c2ccccc2 34a_100000210012_100000183166 [0,0,0,0,0,0|4,0,0]=4 86 B21R2.2538 CCOc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000185467_100000729684 [0,0,0,0,0,0|2,0,0]=2 87 B21R2.2538 CCOc1ccc(cc1)SCCC(=O)c2ccccc2 62a_100000750707_100000171712 [0,0,0,0,0,0|2,0,2]=4 88 B21R2.2538 CCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000171712 [0,0,0,0,0,0|2,0,0]=2 89 B21R2.2538 CCOc1ccc(cn1)C=NNC(=O)c2ccccc2 4a_100000184135_100012002837 [0,0,0,0,0,0|2,0,2]=4 90 B21R2.2538 CCOc1ccc(cn1)CNCC(C)c2ccccc2 207a_100000701038_100012002837 [0,0,0,0,0,0|2,0,2]=4 91 B21R2.2538 CCOc1ccc(cn1)CNCC(C)c2ccccc2 2230a_100102710506_100000756946 [0,0,0,0,0,0|2,0,2]=4 92 B21R2.2538 CCOc1ccc(cn1)CNCC(C)c2ccccc2 270004a_100000701038_100012002837 [0,0,0,0,0,0|2,0,2]=4 93 B21R2.2538 CCOc1ccc(cn1)CNCC(C)c2ccccc2 270004a_100102710506_100000212034 [0,0,0,0,0,0|2,0,2]=4 94 B21R2.2538 CCOc1ccc(cn1)CNCC(O)c2ccccc2 207a_100000210709_100012002837 [0,0,0,0,0,0|1,0,2]=3 95 B21R2.2538 CCOc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100102710506_100000185958 [0,0,0,0,0,0|1,0,2]=3 96 B21R2.2538 CCOc1ccc(cn1)CNCC(O)c2ccccc2 270004a_100000210709_100012002837 [0,0,0,0,0,0|1,0,2]=3 97 B21R2.2538 CCOc1ccc(cn1)CNCC(O)c2ccccn2 207a_100000691469_100012002837 [0,0,0,0,0,0|2,0,2]=4 98 B21R2.2538 CCOc1ccc(cn1)CNCC(O)c2ccccn2 270004a_100000691469_100012002837 [0,0,0,0,0,0|2,0,2]=4 99 B21R2.2538 CCOc1ccc(cn1)CNCC(O)c2cccnc2 207a_100020605170_100012002837 [0,0,0,0,0,0|2,0,2]=4 100 B21R2.2538 CCOc1ccc(cn1)CNCC(O)c2cccnc2 270004a_100020605170_100012002837 [0,0,0,0,0,0|2,0,2]=4 101 B21R2.2538 CCOc1ccc(cn1)CNC[C@@H](O)c2ccccc2 2230a_100102710506_100011933945 [0,0,0,0,0,0|1,0,2]=3 102 B21R2.2538 CCOc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011219444 [0,0,0,0,0,0|3,0,0]=3 103 B21R2.2538 CCOc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100011219444_100000729684 [0,0,0,0,0,0|3,0,0]=3 104 B21R2.2538 CCOc1ccc(nc1)COCC(C)c2ccccc2 34a_200012645146_100000756946 [0,0,0,0,0,0|3,0,1]=4 105 B21R2.2538 CCOc1ccc(nc1)COCC(O)c2ccccc2 34a_200012645146_100000185958 [0,0,0,0,0,0|2,0,1]=3 106 B21R2.2538 CCOc1ccc(nc1)COC[C@@H](O)c2ccccc2 34a_200012645146_100011933945 [0,0,0,0,0,0|2,0,1]=3 107 B21R2.2538 CCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000753957 [0,0,0,0,0,0|3,0,0]=3 108 B21R2.2538 CCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100012355646_100000729684 [0,0,0,0,0,0|3,0,0]=3 109 B21R2.2538 CCOc1ccc(nn1)NCCC(O)c2ccccc2 27a_100000763605_100000757289 [0,0,0,0,0,0|4,0,0]=4 110 B21R2.2538 CCOc1ccc(nn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000757289 [0,0,0,0,0,0|4,0,0]=4 111 B21R2.2538 CCOc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200012356188 [0,0,0,0,0,0|4,0,0]=4 112 B21R2.2538 CCOc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_200012356188_100000729684 [0,0,0,0,0,0|4,0,0]=4 113 B21R2.2538 CCOc1cnc(nc1)NCCC(O)c2ccccc2 27a_100000763605_100000099823 [0,0,0,0,0,0|4,0,0]=4 114 B21R2.2538 CCOc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000099823_100000729684 [0,0,0,0,0,0|4,0,0]=4 115 B21R2.2538 CCOc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000099823 [0,0,0,0,0,0|4,0,0]=4 116 B21R2.2538 CCOc1ncc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011934766 [0,0,0,0,0,0|4,0,0]=4 117 B21R2.2538 CCOc1ncc(cn1)SCC[C@@H](O)c2ccccc2 62a_100011934766_100000729684 [0,0,0,0,0,0|4,0,0]=4 118 B21R2.2538 CCSc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100015187087_100000729684 [0,0,0,0,0,0|2,1,0]=3 119 B21R2.2538 CCSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200009811893 [0,0,0,0,0,0|2,1,0]=3 120 B21R2.2538 CCSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_200009811893_100000729684 [0,0,0,0,0,0|2,1,0]=3 121 B21R2.2538 CCSc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000690189_100000729684 [0,0,0,0,0,0|3,1,0]=4 122 B21R2.2538 CCSc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000690189 [0,0,0,0,0,0|3,1,0]=4 123 B21R2.2538 CNCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000207500_100000729684 [0,0,0,0,0,0|4,0,0]=4 124 B21R2.2538 CNCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000180866_100000729684 [0,0,0,0,0,0|4,0,0]=4 125 B21R2.2538 CNCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000180866 [0,0,0,0,0,0|4,0,0]=4 126 B21R2.2538 COCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000738208_100000185958 [0,0,0,0,0,0|2,0,2]=4 127 B21R2.2538 COCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000738208_100000185958 [0,0,0,0,0,0|2,0,2]=4 128 B21R2.2538 COCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000738208_100011933945 [0,0,0,0,0,0|2,0,2]=4 129 B21R2.2538 COCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000738208_100011933945 [0,0,0,0,0,0|2,0,2]=4 130 B21R2.2538 COCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000694113_100000729684 [0,0,0,0,0,0|4,0,0]=4 131 B21R2.2538 COCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_200011995677_100000729684 [0,0,0,0,0,0|4,0,0]=4 132 B21R2.2538 COCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_200011995677_100000729684 [0,0,0,0,0,0|4,0,0]=4 133 B21R2.2538 COCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011493685 [0,0,0,0,0,0|4,0,0]=4 134 B21R2.2538 COCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011493685_100000729684 [0,0,0,0,0,0|4,0,0]=4 135 B21R2.2538 CSCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_106726388226_100000729684 [0,0,0,0,0,0|4,0,0]=4 136 B21R2.2538 CSCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_106726388226_100000729684 [0,0,0,0,0,0|4,0,0]=4 137 B21R2.2538 CSCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 7a_106726388226_100000729684 [0,0,0,0,0,0|4,0,0]=4 138 B21R2.2538 NCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000743037_100000729684 [0,0,0,0,0,0|4,0,0]=4 139 B21R2.2538 NCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000755846 [0,0,0,0,0,0|4,0,0]=4 140 B21R2.2538 NCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000755846_100000729684 [0,0,0,0,0,0|4,0,0]=4 141 B21R2.2538 OCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100011204434_100000729684 [0,0,0,0,0,0|4,0,0]=4 142 B21R2.2538 OCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100011204434_100000729684 [0,0,0,0,0,0|4,0,0]=4 143 B21R2.2538 OCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100011215338_100000729684 [0,0,0,0,0,0|4,0,0]=4 144 B21R2.2538 OCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100011215338_100000729684 [0,0,0,0,0,0|4,0,0]=4 145 B21R2.2538 OCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000766406 [0,0,0,0,0,0|4,0,0]=4 146 B21R2.2538 OCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000766406_100000729684 [0,0,0,0,0,0|4,0,0]=4 147 B21R2.2538 O[C@H](CCOc1ccc(cc1)CCBr)c2ccccc2 34a_100009816426_100000729684 [0,0,0,0,0,0|4,0,0]=4 148 B21R2.2538 O[C@H](CCOc1ccc(cc1)CCBr)c2ccccc2 7a_100009816426_100000729684 [0,0,0,0,0,0|4,0,0]=4 149 B20R2.91 CCc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000211036 [1,0,0,0,0,0|1,0,2]=4 150 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000211036 [1,0,0,0,0,0|1,0,2]=4 151 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000701038_100000747183 [1,0,0,0,0,0|1,0,2]=4 152 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000721222_100000756946 [1,0,0,0,0,0|1,0,2]=4 153 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000211036 [1,0,0,0,0,0|1,0,2]=4 154 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000721222_100000212034 [1,0,0,0,0,0|1,0,2]=4 155 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000701038_100000747183 [1,0,0,0,0,0|1,0,2]=4 156 B20R2.91 CCc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000721222_100000756946 [1,0,0,0,0,0|1,0,2]=4 157 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000211036 [1,0,0,0,0,0|0,0,2]=3 158 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000747183 [1,0,0,0,0,0|0,0,2]=3 159 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000721222_100000185958 [1,0,0,0,0,0|0,0,2]=3 160 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000211036 [1,0,0,0,0,0|0,0,2]=3 161 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000721222_100000185958 [1,0,0,0,0,0|0,0,2]=3 162 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000211036 [1,0,0,0,0,0|1,0,2]=4 163 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccn2 2230a_100000691469_100000747183 [1,0,0,0,0,0|1,0,2]=4 164 B20R2.91 CCc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000211036 [1,0,0,0,0,0|1,0,2]=4 165 B20R2.91 CCc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000211036 [1,0,0,0,0,0|1,0,2]=4 166 B20R2.91 CCc1ccc(cc1)CNCC(O)c2cccnc2 2230a_100020605170_100000747183 [1,0,0,0,0,0|1,0,2]=4 167 B20R2.91 CCc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000211036 [1,0,0,0,0,0|1,0,2]=4 168 B20R2.91 CCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000721222_100011933945 [1,0,0,0,0,0|0,0,2]=3 169 B20R2.91 CCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000721222_100011933945 [1,0,0,0,0,0|0,0,2]=3 170 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 34a_100000702245_100000756946 [1,0,0,0,0,0|2,0,1]=4 171 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 34a_100011215166_100000747183 [1,0,0,0,0,0|2,0,1]=4 172 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 7a_100000702245_100000756946 [1,0,0,0,0,0|2,0,1]=4 173 B20R2.91 CCc1ccc(cc1)COCC(C)c2ccccc2 7a_100011215166_100000747183 [1,0,0,0,0,0|2,0,1]=4 174 B20R2.91 CCc1ccc(cc1)COCC(O)c2ccccc2 34a_100000702245_100000185958 [1,0,0,0,0,0|1,0,1]=3 175 B20R2.91 CCc1ccc(cc1)COCC(O)c2ccccc2 7a_100000702245_100000185958 [1,0,0,0,0,0|1,0,1]=3 176 B20R2.91 CCc1ccc(cc1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000747183 [1,0,0,0,0,0|2,0,1]=4 177 B20R2.91 CCc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000702245_100011933945 [1,0,0,0,0,0|1,0,1]=3 178 B20R2.91 CCc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100000702245_100011933945 [1,0,0,0,0,0|1,0,1]=3 179 B20R2.91 CCc1ccc(cc1)CSCC(C)c2ccccc2 62a_100000756946_100000747183 [1,0,0,0,0,0|2,0,1]=4 180 B20R2.91 CCc1ccc(cc1)CSCC(C)c2ccccc2 62a_100000757233_100000756946 [1,0,0,0,0,0|2,0,1]=4 181 B20R2.91 CCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000747183 [1,0,0,0,0,0|1,0,1]=3 182 B20R2.91 CCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000757233_100000185958 [1,0,0,0,0,0|1,0,1]=3 183 B20R2.91 CCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000757233_100011933945 [1,0,0,0,0,0|1,0,1]=3 184 B20R2.91 CCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000747183 [1,0,0,0,0,0|1,0,1]=3 185 B20R2.91 CCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000211069_100000729684 [1,0,0,0,0,0|2,0,0]=3 186 B20R2.91 CCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000211069_100000729684 [1,0,0,0,0,0|2,0,0]=3 187 B20R2.91 CCc1ccc(cc1)NN=CC(C)c2ccccc2 4a_100015204395_100000212034 [1,0,0,0,0,0|2,0,1]=4 188 B20R2.91 CCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211359_100000729684 [1,0,0,0,0,0|2,0,0]=3 189 B20R2.91 CCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000211359_100000729684 [1,0,0,0,0,0|2,0,0]=3 190 B20R2.91 CCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011215824 [1,0,0,0,0,0|2,0,0]=3 191 B20R2.91 CCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011215824_100000729684 [1,0,0,0,0,0|2,0,0]=3 192 B20R2.91 CCc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009820025 [1,0,0,0,0,0|3,0,0]=4 193 B20R2.91 CCc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100009820025_100000729684 [1,0,0,0,0,0|3,0,0]=4 194 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 207a_100000210709_100000069529 [1,0,0,0,0,0|1,0,2]=4 195 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 2230a_100000069493_100000185958 [1,0,0,0,0,0|1,0,2]=4 196 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 270004a_100000210709_100000069529 [1,0,0,0,0,0|1,0,2]=4 197 B20R2.91 CCc1ccc(nc1)CNCC(O)c2ccccc2 34a_100000069493_100000185958 [1,0,0,0,0,0|1,0,2]=4 198 B20R2.91 CCc1ccc(nc1)CNC[C@@H](O)c2ccccc2 2230a_100000069493_100011933945 [1,0,0,0,0,0|1,0,2]=4 199 B20R2.91 CCc1ccc(nc1)CNC[C@@H](O)c2ccccc2 34a_100000069493_100011933945 [1,0,0,0,0,0|1,0,2]=4 200 B20R2.91 CCc1ccc(nc1)COCC(O)c2ccccc2 34a_100000068455_100000185958 [1,0,0,0,0,0|2,0,1]=4 201 B20R2.91 CCc1ccc(nc1)COC[C@@H](O)c2ccccc2 34a_100000068455_100011933945 [1,0,0,0,0,0|2,0,1]=4 202 B20R2.91 CCc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009843584 [1,0,0,0,0,0|3,0,0]=4 203 B20R2.91 CCc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100009843584_100000729684 [1,0,0,0,0,0|3,0,0]=4 204 B20R2.91 CNc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000182112_100000729684 [1,0,0,0,0,0|3,0,0]=4 205 B20R2.91 CNc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000743151 [1,0,0,0,0,0|3,0,0]=4 206 B20R2.91 CNc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000743151_100000729684 [1,0,0,0,0,0|3,0,0]=4 207 B20R2.91 COc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000169835 [1,0,0,0,0,0|1,0,2]=4 208 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000169835 [1,0,0,0,0,0|1,0,2]=4 209 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000701038_100000742318 [1,0,0,0,0,0|1,0,2]=4 210 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000185587_100000212034 [1,0,0,0,0,0|1,0,2]=4 211 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000169835 [1,0,0,0,0,0|1,0,2]=4 212 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000185587_100000756946 [1,0,0,0,0,0|1,0,2]=4 213 B20R2.91 COc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000701038_100000742318 [1,0,0,0,0,0|1,0,2]=4 214 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000169835 [1,0,0,0,0,0|0,0,2]=3 215 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000742318 [1,0,0,0,0,0|0,0,2]=3 216 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000169835 [1,0,0,0,0,0|0,0,2]=3 217 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000185587_100000185958 [1,0,0,0,0,0|0,0,2]=3 218 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000169835 [1,0,0,0,0,0|1,0,2]=4 219 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccn2 2230a_100000691469_100000742318 [1,0,0,0,0,0|1,0,2]=4 220 B20R2.91 COc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000169835 [1,0,0,0,0,0|1,0,2]=4 221 B20R2.91 COc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000169835 [1,0,0,0,0,0|1,0,2]=4 222 B20R2.91 COc1ccc(cc1)CNCC(O)c2cccnc2 2230a_100020605170_100000742318 [1,0,0,0,0,0|1,0,2]=4 223 B20R2.91 COc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000169835 [1,0,0,0,0,0|1,0,2]=4 224 B20R2.91 COc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000185587_100011933945 [1,0,0,0,0,0|0,0,2]=3 225 B20R2.91 COc1ccc(cc1)COCC(C)c2ccccc2 34a_100000173359_100000756946 [1,0,0,0,0,0|2,0,1]=4 226 B20R2.91 COc1ccc(cc1)COCC(C)c2ccccc2 34a_100011215166_100000742318 [1,0,0,0,0,0|2,0,1]=4 227 B20R2.91 COc1ccc(cc1)COCC(C)c2ccccc2 7a_100011215166_100000742318 [1,0,0,0,0,0|2,0,1]=4 228 B20R2.91 COc1ccc(cc1)COCC(O)c2ccccc2 34a_100000173359_100000185958 [1,0,0,0,0,0|1,0,1]=3 229 B20R2.91 COc1ccc(cc1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000742318 [1,0,0,0,0,0|2,0,1]=4 230 B20R2.91 COc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000173359_100011933945 [1,0,0,0,0,0|1,0,1]=3 231 B20R2.91 COc1ccc(cc1)CSCC(C)c2ccccc2 62a_100000756946_100000742318 [1,0,0,0,0,0|2,0,1]=4 232 B20R2.91 COc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000742318 [1,0,0,0,0,0|1,0,1]=3 233 B20R2.91 COc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000742318 [1,0,0,0,0,0|1,0,1]=3 234 B20R2.91 COc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000184247_100000729684 [1,0,0,0,0,0|2,0,0]=3 235 B20R2.91 COc1ccc(cc1)NN=CC(C)c2ccccc2 4a_100000005221_100000212034 [1,0,0,0,0,0|2,0,1]=4 236 B20R2.91 COc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000210503_100000729684 [1,0,0,0,0,0|2,0,0]=3 237 B20R2.91 COc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000171711 [1,0,0,0,0,0|2,0,0]=3 238 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 207a_100000210709_100000761633 [1,0,0,0,0,0|1,0,2]=4 239 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100000210709_100020631284 [1,0,0,0,0,0|1,0,2]=4 240 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100000241975_100000185958 [1,0,0,0,0,0|1,0,2]=4 241 B20R2.91 COc1ccc(cn1)CNCC(O)c2ccccc2 270004a_100000210709_100000761633 [1,0,0,0,0,0|1,0,2]=4 242 B20R2.91 COc1ccc(cn1)CNC[C@@H](O)c2ccccc2 2230a_100000241975_100011933945 [1,0,0,0,0,0|1,0,2]=4 243 B20R2.91 COc1ccc(cn1)COCC(O)c2ccccc2 34a_100000763316_100000185958 [1,0,0,0,0,0|2,0,1]=4 244 B20R2.91 COc1ccc(cn1)COC[C@@H](O)c2ccccc2 34a_100000763316_100011933945 [1,0,0,0,0,0|2,0,1]=4 245 B20R2.91 COc1ccc(cn1)CSCC(O)c2ccccc2 62a_100000185958_100020631284 [1,0,0,0,0,0|2,0,1]=4 246 B20R2.91 COc1ccc(cn1)CSCC(O)c2ccccc2 62a_100020631284_100000185958 [1,0,0,0,0,0|2,0,1]=4 247 B20R2.91 COc1ccc(cn1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100020631284 [1,0,0,0,0,0|2,0,1]=4 248 B20R2.91 COc1ccc(cn1)CSC[C@@H](O)c2ccccc2 62a_100020631284_100011933945 [1,0,0,0,0,0|2,0,1]=4 249 B20R2.91 COc1ccc(cn1)OCC[C@@H](O)c2ccccc2 34a_100011934560_100000729684 [1,0,0,0,0,0|3,0,0]=4 250 B20R2.91 COc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000047065_100000729684 [1,0,0,0,0,0|3,0,0]=4 251 B20R2.91 COc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000047065 [1,0,0,0,0,0|3,0,0]=4 252 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 207a_100000210709_100000701244 [1,0,0,0,0,0|1,0,2]=4 253 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 2230a_100000210709_200000757186 [1,0,0,0,0,0|1,0,2]=4 254 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 270004a_100000210709_100000701244 [1,0,0,0,0,0|1,0,2]=4 255 B20R2.91 COc1ccc(nc1)CNCC(O)c2ccccc2 34a_100000703904_100000185958 [1,0,0,0,0,0|1,0,2]=4 256 B20R2.91 COc1ccc(nc1)CNC[C@@H](O)c2ccccc2 34a_100000703904_100011933945 [1,0,0,0,0,0|1,0,2]=4 257 B20R2.91 COc1ccc(nc1)COCC(O)c2ccccc2 34a_100011998694_100000185958 [1,0,0,0,0,0|2,0,1]=4 258 B20R2.91 COc1ccc(nc1)COC[C@@H](O)c2ccccc2 34a_100011998694_100011933945 [1,0,0,0,0,0|2,0,1]=4 259 B20R2.91 COc1ccc(nc1)CSCC(O)c2ccccc2 62a_100000185958_200000757186 [1,0,0,0,0,0|2,0,1]=4 260 B20R2.91 COc1ccc(nc1)CSCC(O)c2ccccc2 62a_200000757186_100000185958 [1,0,0,0,0,0|2,0,1]=4 261 B20R2.91 COc1ccc(nc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_200000757186 [1,0,0,0,0,0|2,0,1]=4 262 B20R2.91 COc1ccc(nc1)CSC[C@@H](O)c2ccccc2 62a_200000757186_100011933945 [1,0,0,0,0,0|2,0,1]=4 263 B20R2.91 COc1ccc(nc1)OCC[C@@H](O)c2ccccc2 34a_100012002028_100000729684 [1,0,0,0,0,0|3,0,0]=4 264 B20R2.91 COc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000744180 [1,0,0,0,0,0|3,0,0]=4 265 B20R2.91 COc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000755202_100000729684 [1,0,0,0,0,0|3,0,0]=4 266 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000211154 [1,0,0,0,0,0|0,1,2]=4 267 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000174980_100000185958 [1,0,0,0,0,0|0,1,2]=4 268 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000181263 [1,0,0,0,0,0|0,1,2]=4 269 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000211154 [1,0,0,0,0,0|0,1,2]=4 270 B20R2.91 CSc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000174980_100000185958 [1,0,0,0,0,0|0,1,2]=4 271 B20R2.91 CSc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000174980_100011933945 [1,0,0,0,0,0|0,1,2]=4 272 B20R2.91 CSc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000174980_100011933945 [1,0,0,0,0,0|0,1,2]=4 273 B20R2.91 CSc1ccc(cc1)COCC(O)c2ccccc2 34a_100011215404_100000185958 [1,0,0,0,0,0|1,1,1]=4 274 B20R2.91 CSc1ccc(cc1)COCC(O)c2ccccc2 7a_100011215404_100000185958 [1,0,0,0,0,0|1,1,1]=4 275 B20R2.91 CSc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011215404_100011933945 [1,0,0,0,0,0|1,1,1]=4 276 B20R2.91 CSc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100011215404_100011933945 [1,0,0,0,0,0|1,1,1]=4 277 B20R2.91 CSc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000181263_100000185958 [1,0,0,0,0,0|1,1,1]=4 278 B20R2.91 CSc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000181263 [1,0,0,0,0,0|1,1,1]=4 279 B20R2.91 CSc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000181263_100011933945 [1,0,0,0,0,0|1,1,1]=4 280 B20R2.91 CSc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000181263 [1,0,0,0,0,0|1,1,1]=4 281 B20R2.91 CSc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000212337_100000729684 [1,0,0,0,0,0|2,1,0]=4 282 B20R2.91 CSc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211864_100000729684 [1,0,0,0,0,0|2,1,0]=4 283 B20R2.91 CSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011263217 [1,0,0,0,0,0|2,1,0]=4 284 B20R2.91 CSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011263217_100000729684 [1,0,0,0,0,0|2,1,0]=4 285 B20R2.91 NCc1ccc(cc1)COCC(O)c2ccccc2 34a_100015189231_100000185958 [1,0,0,0,0,0|2,0,1]=4 286 B20R2.91 NCc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100015189231_100011933945 [1,0,0,0,0,0|2,0,1]=4 287 B20R2.91 NCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000185549_100000729684 [1,0,0,0,0,0|3,0,0]=4 288 B20R2.91 NCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100016989417 [1,0,0,0,0,0|3,0,0]=4 289 B20R2.91 NCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100016989417_100000729684 [1,0,0,0,0,0|3,0,0]=4 290 B20R2.91 OC(COCc1ccc(cc1)CBr)c2ccccc2 34a_100012353999_100000185958 [1,0,0,0,0,0|2,0,1]=4 291 B20R2.91 OC(COCc1ccc(cc1)CBr)c2ccccc2 7a_100012353999_100000185958 [1,0,0,0,0,0|2,0,1]=4 292 B20R2.91 OC(COCc1ccc(cc1)CCl)c2ccccc2 34a_100000067286_100000185958 [1,0,0,0,0,0|2,0,1]=4 293 B20R2.91 OC(COCc1ccc(cc1)CCl)c2ccccc2 7a_100000067286_100000185958 [1,0,0,0,0,0|2,0,1]=4 294 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100009832023 [1,0,0,0,0,0|1,0,2]=4 295 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000067286 [1,0,0,0,0,0|1,0,2]=4 296 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100015189231_100000185958 [1,0,0,0,0,0|1,0,2]=4 297 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100009832023 [1,0,0,0,0,0|1,0,2]=4 298 B20R2.91 OCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100015189231_100000185958 [1,0,0,0,0,0|1,0,2]=4 299 B20R2.91 OCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100015189231_100011933945 [1,0,0,0,0,0|1,0,2]=4 300 B20R2.91 OCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100015189231_100011933945 [1,0,0,0,0,0|1,0,2]=4 301 B20R2.91 OCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000067286_100000185958 [1,0,0,0,0,0|2,0,1]=4 302 B20R2.91 OCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000067286 [1,0,0,0,0,0|2,0,1]=4 303 B20R2.91 OCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000067286_100011933945 [1,0,0,0,0,0|2,0,1]=4 304 B20R2.91 OCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000067286 [1,0,0,0,0,0|2,0,1]=4 305 B20R2.91 OCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100011215238_100000729684 [1,0,0,0,0,0|3,0,0]=4 306 B20R2.91 OCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100011215238_100000729684 [1,0,0,0,0,0|3,0,0]=4 307 B20R2.91 OCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211755_100000729684 [1,0,0,0,0,0|3,0,0]=4 308 B20R2.91 OCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000690907_100000729684 [1,0,0,0,0,0|3,0,0]=4 309 B20R2.91 OCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000690907 [1,0,0,0,0,0|3,0,0]=4 310 B20R2.91 O[C@H](CCSc1ccc(cc1)CF)c2ccccc2 62a_100000729684_100010268989 [1,0,0,0,0,0|3,0,0]=4 311 B20R2.91 O[C@H](CCSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100000729684 [1,0,0,0,0,0|3,0,0]=4 312 B20R2.91 O[C@H](COCc1ccc(cc1)CBr)c2ccccc2 34a_100012353999_100011933945 [1,0,0,0,0,0|2,0,1]=4 313 B20R2.91 O[C@H](COCc1ccc(cc1)CBr)c2ccccc2 7a_100012353999_100011933945 [1,0,0,0,0,0|2,0,1]=4 314 B20R2.91 O[C@H](COCc1ccc(cc1)CCl)c2ccccc2 34a_100000067286_100011933945 [1,0,0,0,0,0|2,0,1]=4 315 B20R2.91 O[C@H](COCc1ccc(cc1)CCl)c2ccccc2 7a_100000067286_100011933945 [1,0,0,0,0,0|2,0,1]=4 316 B20R2.4584 CCCc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000229940 [1,0,0,0,0,0|2,0,0]=3 317 B20R2.4584 CCCc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000229940 [1,0,0,0,0,0|3,0,0]=4 318 B20R2.4584 CCCc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000229940 [1,0,0,0,0,0|3,0,0]=4 319 B20R2.4584 CCCc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000229940 [1,0,0,0,0,0|3,0,0]=4 320 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000229940 [1,0,0,0,0,0|1,0,2]=4 321 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 2230a_100000106460_100011982809 [1,0,0,0,0,0|1,0,2]=4 322 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 2230a_100020632977_100000765856 [1,0,0,0,0,0|1,0,2]=4 323 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000229940 [1,0,0,0,0,0|1,0,2]=4 324 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 34a_100000106460_100011982809 [1,0,0,0,0,0|1,0,2]=4 325 B20R2.4584 CCCc1ccc(cc1)CNCCc2ccccc2 34a_100020632977_100000765856 [1,0,0,0,0,0|1,0,2]=4 326 B20R2.4584 CCCc1ccc(cc1)COCCc2ccccc2 34a_100000210268_100011982809 [1,0,0,0,0,0|2,0,1]=4 327 B20R2.4584 CCCc1ccc(cc1)COCCc2ccccc2 7a_100000210268_100011982809 [1,0,0,0,0,0|2,0,1]=4 328 B20R2.4584 CCCc1ccc(cc1)CSCCc2ccccc2 62a_100000765856_100011982809 [1,0,0,0,0,0|2,0,1]=4 329 B20R2.4584 CCCc1ccc(cc1)CSCCc2ccccc2 62a_100011982809_100011218657 [1,0,0,0,0,0|2,0,1]=4 330 B20R2.4584 CCCc1ccc(cc1)NCCCc2ccccc2 2230a_100000211780_100000211621 [1,0,0,0,0,0|3,0,0]=4 331 B20R2.4584 CCCc1ccc(cc1)NCCCc2ccccc2 34a_100000211780_100000211621 [1,0,0,0,0,0|3,0,0]=4 332 B20R2.4584 CCCc1ccc(cc1)NN=CCc2ccccc2 4a_100015306804_100000209964 [1,0,0,0,0,0|2,0,1]=4 333 B20R2.4584 CCCc1ccc(cc1)OCCCc2ccccc2 34a_100000749406_100000211621 [1,0,0,0,0,0|3,0,0]=4 334 B20R2.4584 CCCc1ccc(cc1)OCCCc2ccccc2 7a_100000749406_100000211621 [1,0,0,0,0,0|3,0,0]=4 335 B20R2.4584 CCCc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000750032 [1,0,0,0,0,0|3,0,0]=4 336 B20R2.4584 CCCc1ccc(cc1)SCCCc2ccccc2 62a_100000750032_100000211621 [1,0,0,0,0,0|3,0,0]=4 337 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 2230a_200000510014_100000210202 [1,0,0,0,0,0|3,0,0]=4 338 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 34a_100011337800_100000211621 [1,0,0,0,0,0|3,0,0]=4 339 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 34a_200000510014_100000210202 [1,0,0,0,0,0|3,0,0]=4 340 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 7a_100011337800_100000211621 [1,0,0,0,0,0|3,0,0]=4 341 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 7a_200000510014_100000210202 [1,0,0,0,0,0|3,0,0]=4 342 B20R2.4584 CCNc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000219632 [1,0,0,0,0,0|3,0,0]=4 343 B20R2.4584 CCOc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000169836 [1,0,0,0,0,0|1,0,0]=2 344 B20R2.4584 CCOc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000169836 [1,0,0,0,0,0|2,0,0]=3 345 B20R2.4584 CCOc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000169836 [1,0,0,0,0,0|2,0,0]=3 346 B20R2.4584 CCOc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000169836 [1,0,0,0,0,0|2,0,0]=3 347 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 207a_100011194255_100015611070 [1,0,0,0,0,0|2,0,1]=4 348 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 2230a_100011194255_100015291786 [1,0,0,0,0,0|2,0,1]=4 349 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 270004a_100011194255_100015611070 [1,0,0,0,0,0|2,0,1]=4 350 B20R2.4584 CCOc1ccc(cc1)CCNCc2ccccc2 34a_100011194255_100015291786 [1,0,0,0,0,0|2,0,1]=4 351 B20R2.4584 CCOc1ccc(cc1)CCOCc2ccccc2 34a_100011217992_100015291786 [1,0,0,0,0,0|2,0,1]=4 352 B20R2.4584 CCOc1ccc(cc1)CCOCc2ccccc2 7a_100011217992_100000211182 [1,0,0,0,0,0|2,0,1]=4 353 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000169836 [1,0,0,0,0,0|0,0,2]=3 354 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 2230a_100000185588_100000765856 [1,0,0,0,0,0|0,0,2]=3 355 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000169836 [1,0,0,0,0,0|0,0,2]=3 356 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccc2 34a_100000185588_100000765856 [1,0,0,0,0,0|0,0,2]=3 357 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccn2 207a_100000211156_100000169836 [1,0,0,0,0,0|1,0,2]=4 358 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccn2 2230a_100000185588_100015183660 [1,0,0,0,0,0|1,0,2]=4 359 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccccn2 270004a_100000211156_100000169836 [1,0,0,0,0,0|1,0,2]=4 360 B20R2.4584 CCOc1ccc(cc1)CNCCc2cccnc2 207a_100000736294_100000169836 [1,0,0,0,0,0|1,0,2]=4 361 B20R2.4584 CCOc1ccc(cc1)CNCCc2cccnc2 2230a_100000185588_200011713674 [1,0,0,0,0,0|1,0,2]=4 362 B20R2.4584 CCOc1ccc(cc1)CNCCc2cccnc2 270004a_100000736294_100000169836 [1,0,0,0,0,0|1,0,2]=4 363 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccncc2 207a_100000742849_100000169836 [1,0,0,0,0,0|1,0,2]=4 364 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccncc2 2230a_100000185588_100000723409 [1,0,0,0,0,0|1,0,2]=4 365 B20R2.4584 CCOc1ccc(cc1)CNCCc2ccncc2 270004a_100000742849_100000169836 [1,0,0,0,0,0|1,0,2]=4 366 B20R2.4584 CCOc1ccc(cc1)CNCSc2ccccc2 2230a_100000185588_100011218342 [1,0,0,0,0,0|1,0,2]=4 367 B20R2.4584 CCOc1ccc(cc1)COCCc2ccccc2 34a_100000173027_100000765856 [1,0,0,0,0,0|1,0,1]=3 368 B20R2.4584 CCOc1ccc(cc1)COCCc2ccccc2 7a_100000173027_100000765856 [1,0,0,0,0,0|1,0,1]=3 369 B20R2.4584 CCOc1ccc(cc1)COCCc2ccccn2 7a_100000173027_100015183660 [1,0,0,0,0,0|2,0,1]=4 370 B20R2.4584 CCOc1ccc(cc1)COCCc2cccnc2 7a_100000173027_200011713674 [1,0,0,0,0,0|2,0,1]=4 371 B20R2.4584 CCOc1ccc(cc1)COCCc2ccncc2 7a_100000173027_100000723409 [1,0,0,0,0,0|2,0,1]=4 372 B20R2.4584 CCOc1ccc(cc1)NCCCc2ccccc2 2230a_100000739623_100000211621 [1,0,0,0,0,0|2,0,0]=3 373 B20R2.4584 CCOc1ccc(cc1)NCCCc2ccccc2 34a_100000739623_100000211621 [1,0,0,0,0,0|2,0,0]=3 374 B20R2.4584 CCOc1ccc(cc1)NCCOc2ccccc2 2230a_100000739623_100000184471 [1,0,0,0,0,0|3,0,0]=4 375 B20R2.4584 CCOc1ccc(cc1)NCCOc2ccccc2 34a_100000739623_100000184471 [1,0,0,0,0,0|3,0,0]=4 376 B20R2.4584 CCOc1ccc(cc1)NCCSc2ccccc2 2230a_100000739623_100000246102 [1,0,0,0,0,0|3,0,0]=4 377 B20R2.4584 CCOc1ccc(cc1)NCCSc2ccccc2 34a_100000739623_100000246102 [1,0,0,0,0,0|3,0,0]=4 378 B20R2.4584 CCOc1ccc(cc1)NCOCc2ccccc2 2230a_100000739623_100000763385 [1,0,0,0,0,0|3,0,0]=4 379 B20R2.4584 CCOc1ccc(cc1)NCOCc2ccccc2 34a_100000739623_100000763385 [1,0,0,0,0,0|3,0,0]=4 380 B20R2.4584 CCOc1ccc(cc1)NCSCc2ccccc2 2230a_100000739623_200011217039 [1,0,0,0,0,0|3,0,0]=4 381 B20R2.4584 CCOc1ccc(cc1)NCSCc2ccccc2 34a_100000739623_200011217039 [1,0,0,0,0,0|3,0,0]=4 382 B20R2.4584 CCOc1ccc(cc1)NN=CCc2ccccc2 4a_100000738955_100000209964 [1,0,0,0,0,0|1,0,1]=3 383 B20R2.4584 CCOc1ccc(cc1)OCCCc2ccccc2 34a_100000185467_100000211621 [1,0,0,0,0,0|2,0,0]=3 384 B20R2.4584 CCOc1ccc(cc1)OCCNc2ccccc2 34a_100000106764_100000183166 [1,0,0,0,0,0|3,0,0]=4 385 B20R2.4584 CCOc1ccc(cc1)OCCOc2ccccc2 34a_100000185467_100000184471 [1,0,0,0,0,0|3,0,0]=4 386 B20R2.4584 CCOc1ccc(cc1)OCCOc2ccccc2 34a_100000210340_100000183166 [1,0,0,0,0,0|3,0,0]=4 387 B20R2.4584 CCOc1ccc(cc1)OCCOc2ccccc2 7a_100000210340_100000183166 [1,0,0,0,0,0|3,0,0]=4 388 B20R2.4584 CCOc1ccc(cc1)OCCSc2ccccc2 34a_100000185467_100000246102 [1,0,0,0,0,0|3,0,0]=4 389 B20R2.4584 CCOc1ccc(cc1)OCCSc2ccccc2 62a_100000183166_100000041952 [1,0,0,0,0,0|3,0,0]=4 390 B20R2.4584 CCOc1ccc(cc1)OCCSc2ccccc2 62a_100000719477_100000183166 [1,0,0,0,0,0|3,0,0]=4 391 B20R2.4584 CCOc1ccc(cc1)OCOCc2ccccc2 34a_100000185467_100000763385 [1,0,0,0,0,0|3,0,0]=4 392 B20R2.4584 CCOc1ccc(cc1)OCSCc2ccccc2 34a_100000185467_200011217039 [1,0,0,0,0,0|3,0,0]=4 393 B20R2.4584 CCOc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000171712 [1,0,0,0,0,0|2,0,0]=3 394 B20R2.4584 CCOc1ccc(cc1)SCCOc2ccccc2 62a_100000184471_100000171712 [1,0,0,0,0,0|3,0,0]=4 395 B20R2.4584 CCOc1ccc(cc1)SCCSc2ccccc2 62a_100000246102_100000171712 [1,0,0,0,0,0|3,0,0]=4 396 B20R2.4584 CCOc1ccc(cc1)SCOCc2ccccc2 62a_100000763385_100000171712 [1,0,0,0,0,0|3,0,0]=4 397 B20R2.4584 CCOc1ccc(cc1)SCSCc2ccccc2 62a_200011217039_100000171712 [1,0,0,0,0,0|3,0,0]=4 398 B20R2.4584 CCOc1ccc(cn1)C=NNCc2ccccc2 4a_100000007032_100012002837 [1,0,0,0,0,0|2,0,0]=3 399 B20R2.4584 CCOc1ccc(cn1)C=NNCc2ccccn2 4a_100000736832_100012002837 [1,0,0,0,0,0|3,0,0]=4 400 B20R2.4584 CCOc1ccc(cn1)C=NNCc2cccnc2 4a_100000738295_100012002837 [1,0,0,0,0,0|3,0,0]=4 401 B20R2.4584 CCOc1ccc(cn1)C=NNCc2ccncc2 4a_100000736929_100012002837 [1,0,0,0,0,0|3,0,0]=4 402 B20R2.4584 CCOc1ccc(cn1)CNCCc2ccccc2 207a_100000106460_100012002837 [1,0,0,0,0,0|1,0,2]=4 403 B20R2.4584 CCOc1ccc(cn1)CNCCc2ccccc2 2230a_100102710506_100000765856 [1,0,0,0,0,0|1,0,2]=4 404 B20R2.4584 CCOc1ccc(cn1)CNCCc2ccccc2 270004a_100000106460_100012002837 [1,0,0,0,0,0|1,0,2]=4 405 B20R2.4584 CCOc1ccc(cn1)SCCCc2ccccc2 62a_100000211621_100011219444 [1,0,0,0,0,0|3,0,0]=4 406 B20R2.4584 CCOc1ccc(cn1)SCCCc2ccccc2 62a_100011219444_100000211621 [1,0,0,0,0,0|3,0,0]=4 407 B20R2.4584 CCOc1ccc(nc1)COCCc2ccccc2 34a_200012645146_100000765856 [1,0,0,0,0,0|2,0,1]=4 408 B20R2.4584 CCOc1ccc(nc1)SCCCc2ccccc2 62a_100000211621_100000753957 [1,0,0,0,0,0|3,0,0]=4 409 B20R2.4584 CCOc1ccc(nc1)SCCCc2ccccc2 62a_100012355646_100000211621 [1,0,0,0,0,0|3,0,0]=4 410 B20R2.4584 CCSc1ccc(cc1)NCCCc2ccccc2 34a_100015187087_100000211621 [1,0,0,0,0,0|2,1,0]=4 411 B20R2.4584 CCSc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_200009811893 [1,0,0,0,0,0|2,1,0]=4 412 B20R2.4584 CCSc1ccc(cc1)SCCCc2ccccc2 62a_200009811893_100000211621 [1,0,0,0,0,0|2,1,0]=4 413 B22R2.2468 CCCc1ccc(cc1)CNCC(C)(O)c2ccccc2 207a_100011660926_100000229940 [0,1,0,0,0,0|1,0,2]=4 414 B22R2.2468 CCCc1ccc(cc1)CNCC(C)(O)c2ccccc2 2230a_100011660926_100011982809 [0,1,0,0,0,0|1,0,2]=4 415 B22R2.2468 CCCc1ccc(cc1)CNCC(C)(O)c2ccccc2 26a_100011660926_100000749406 [0,1,0,0,0,0|1,0,2]=4 416 B22R2.2468 CCCc1ccc(cc1)CNCC(C)(O)c2ccccc2 270004a_100011660926_100000229940 [0,1,0,0,0,0|1,0,2]=4 417 B22R2.2468 CCOc1ccc(cc1)CNCC(C)(C)c2ccccc2 207a_100011211644_100000169836 [0,1,0,0,0,0|1,0,2]=4 418 B22R2.2468 CCOc1ccc(cc1)CNCC(C)(C)c2ccccc2 270004a_100011211644_100000169836 [0,1,0,0,0,0|1,0,2]=4 419 B22R2.2468 CCOc1ccc(cc1)CNCC(C)(O)c2ccccc2 207a_100011660926_100000169836 [0,1,0,0,0,0|0,0,2]=3 420 B22R2.2468 CCOc1ccc(cc1)CNCC(C)(O)c2ccccc2 270004a_100011660926_100000169836 [0,1,0,0,0,0|0,0,2]=3 421 B22R2.2468 CCOc1ccc(cc1)CNCC(F)(F)c2ccccc2 207a_100000717977_100000169836 [0,1,0,0,0,0|1,0,2]=4 422 B22R2.2468 CCOc1ccc(cc1)CNCC(F)(F)c2ccccc2 270004a_100000717977_100000169836 [0,1,0,0,0,0|1,0,2]=4 423 B22R2.2468 CCOc1ccc(cc1)CNCC(F)(F)c2ccccc2 34a_100000185588_100009875531 [0,1,0,0,0,0|1,0,2]=4 424 B22R2.2468 CCOc1ccc(cc1)COCC(F)(F)c2ccccc2 34a_100000173027_100009875531 [0,1,0,0,0,0|2,0,1]=4 425 B22R2.2468 CCOc1ccc(cn1)CNCC(C)(O)c2ccccc2 207a_100011660926_100012002837 [0,1,0,0,0,0|1,0,2]=4 426 B22R2.2468 CCOc1ccc(cn1)CNCC(C)(O)c2ccccc2 270004a_100011660926_100012002837 [0,1,0,0,0,0|1,0,2]=4 427 B22R2.2470 CCCc1ccc(cc1)COCC(OC)c2ccccc2 34a_100011215540_100011982809 [0,1,0,0,0,0|2,0,1]=4 428 B22R2.2470 CCCc1ccc(cc1)COCC(OC)c2ccccc2 7a_100011215540_100011982809 [0,1,0,0,0,0|2,0,1]=4 429 B22R2.2470 CCOc1ccc(cc1)CNCC(CC)c2ccccc2 270004a_100000185588_100000753018 [0,1,0,0,0,0|1,0,2]=4 430 B22R2.2470 CCOc1ccc(cc1)NN=CC(CC)c2ccccc2 4a_100000738955_100000753018 [0,1,0,0,0,0|2,0,1]=4 431 B22R2.2484 CCCc1ccc(cc1)CNCC(O)c2cccc(c2)O 2230a_100020657549_100011982809 [0,1,0,0,0,0|1,0,2]=4 432 B22R2.2484 CCCc1ccc(cc1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100000229940 [0,1,0,0,0,0|1,0,2]=4 433 B22R2.2484 CCCc1ccc(cc1)CNCC(O)c2cccc(c2)O 34a_100020657549_100011982809 [0,1,0,0,0,0|1,0,2]=4 434 B22R2.2484 CCOc1ccc(cc1)C=NNC(=O)c2cccc(c2)Br 4a_100000189783_100000169836 [0,1,0,0,0,0|1,0,2]=4 435 B22R2.2484 CCOc1ccc(cc1)C=NNC(=O)c2cccc(c2)C 4a_100000189845_100000169836 [0,1,0,0,0,0|1,0,2]=4 436 B22R2.2484 CCOc1ccc(cc1)C=NNC(=O)c2cccc(c2)Cl 4a_100000183659_100000169836 [0,1,0,0,0,0|1,0,2]=4 437 B22R2.2484 CCOc1ccc(cc1)C=NNC(=O)c2cccc(c2)F 4a_100000189798_100000169836 [0,1,0,0,0,0|1,0,2]=4 438 B22R2.2484 CCOc1ccc(cc1)C=NNC(=O)c2cccc(c2)I 4a_100000186306_100000169836 [0,1,0,0,0,0|1,0,2]=4 439 B22R2.2484 CCOc1ccc(cc1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100000169836 [0,1,0,0,0,0|0,0,2]=3 440 B22R2.2484 CCOc1ccc(cn1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100012002837 [0,1,0,0,0,0|1,0,2]=4 441 B22R2.2486 CC#Cc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100009923575_100000729684 [0,1,0,0,0,0|2,0,1]=4 442 B22R2.2486 CC#Cc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100009923575 [0,1,0,0,0,0|1,0,2]=4 443 B22R2.2486 CC#Cc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100009923575 [0,1,0,0,0,0|1,0,2]=4 444 B22R2.2486 CCCc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100011207308_100000729684 [0,1,0,0,0,0|2,0,0]=3 445 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100011207308 [0,1,0,0,0,0|2,0,1]=4 446 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100011207308 [0,1,0,0,0,0|2,0,1]=4 447 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100011207308 [0,1,0,0,0,0|2,0,1]=4 448 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100011207308 [0,1,0,0,0,0|2,0,1]=4 449 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100011207308 [0,1,0,0,0,0|1,0,1]=3 450 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100011207308 [0,1,0,0,0,0|1,0,1]=3 451 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100011207308 [0,1,0,0,0,0|2,0,1]=4 452 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100011207308 [0,1,0,0,0,0|2,0,1]=4 453 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100011207308 [0,1,0,0,0,0|2,0,1]=4 454 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100011207308 [0,1,0,0,0,0|2,0,1]=4 455 B22R2.2486 CCCc1ccc(cc1)C(C)NCC(O)c2ccccc2 269862a_100000210709_100000211850 [0,1,0,0,0,0|1,0,2]=4 456 B22R2.2486 CCOc1ccc(cc1)C(=NNC(=O)c2ccccc2)C 4a_100000184135_100000169860 [0,1,0,0,0,0|1,0,2]=4 457 B22R2.2486 CCOc1ccc(cc1)C(=O)CCC(=O)c2ccccc2 1458a_100000181891_100000750707 [0,1,0,0,0,0|1,0,2]=4 458 B22R2.2486 CCOc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000181891_100000729684 [0,1,0,0,0,0|1,0,0]=2 459 B22R2.2486 CCOc1ccc(cc1)C(=O)CN[C@H](C)c2ccccc2 2230a_100000751104_100000203716 [0,1,0,0,0,0|3,0,0]=4 460 B22R2.2486 CCOc1ccc(cc1)C(=O)CO[C@H](C)c2ccccc2 7a_100000761318_100000203716 [0,1,0,0,0,0|3,0,0]=4 461 B22R2.2486 CCOc1ccc(cc1)C(=O)CSC(C)c2ccccc2 62a_100000203716_100000230085 [0,1,0,0,0,0|3,0,0]=4 462 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000181891 [0,1,0,0,0,0|1,0,1]=3 463 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000181891 [0,1,0,0,0,0|1,0,1]=3 464 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000181891 [0,1,0,0,0,0|1,0,1]=3 465 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000181891 [0,1,0,0,0,0|1,0,1]=3 466 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000181891 [0,1,0,0,0,0|0,0,1]=2 467 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000181891 [0,1,0,0,0,0|0,0,1]=2 468 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000181891 [0,1,0,0,0,0|1,0,1]=3 469 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000181891 [0,1,0,0,0,0|1,0,1]=3 470 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000181891 [0,1,0,0,0,0|1,0,1]=3 471 B22R2.2486 CCOc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000181891 [0,1,0,0,0,0|1,0,1]=3 472 B22R2.2486 CCOc1ccc(cc1)C(C)NCC(C)c2ccccc2 2230a_100000740525_100000756946 [0,1,0,0,0,0|1,0,2]=4 473 B22R2.2486 CCOc1ccc(cc1)C(C)NCC(C)c2ccccc2 269862a_100000701038_100000169860 [0,1,0,0,0,0|1,0,2]=4 474 B22R2.2486 CCOc1ccc(cc1)C(C)NCC(C)c2ccccc2 270004a_100000740525_100000212034 [0,1,0,0,0,0|1,0,2]=4 475 B22R2.2486 CCOc1ccc(cc1)C(C)NCC(O)c2ccccc2 2230a_100000740525_100000185958 [0,1,0,0,0,0|0,0,2]=3 476 B22R2.2486 CCOc1ccc(cc1)C(C)NCC(O)c2ccccc2 269862a_100000210709_100000169860 [0,1,0,0,0,0|0,0,2]=3 477 B22R2.2486 CCOc1ccc(cc1)C(C)NCC(O)c2ccccn2 269862a_100000691469_100000169860 [0,1,0,0,0,0|1,0,2]=4 478 B22R2.2486 CCOc1ccc(cc1)C(C)NCC(O)c2cccnc2 269862a_100020605170_100000169860 [0,1,0,0,0,0|1,0,2]=4 479 B22R2.2486 CCOc1ccc(cc1)C(C)NC[C@@H](O)c2ccccc2 2230a_100000740525_100011933945 [0,1,0,0,0,0|0,0,2]=3 480 B22R2.2486 CCOc1ccc(cc1)N(C)CC[C@@H](O)c2ccccc2 2230a_100025784348_100000729684 [0,1,0,0,0,0|2,0,0]=3 481 B22R2.2486 CCOc1ccc(cc1)N(C)CC[C@@H](O)c2ccccc2 269982a_100025784348_100000729684 [0,1,0,0,0,0|2,0,0]=3 482 B22R2.2486 CCOc1ccc(cc1)N(C)CC[C@@H](O)c2ccccc2 34a_100025784348_100000729684 [0,1,0,0,0,0|2,0,0]=3 483 B22R2.2486 CCOc1ccc(cc1)[C@@H](C)OCC(C)c2ccccc2 34a_100000761365_100000756946 [0,1,0,0,0,0|2,0,1]=4 484 B22R2.2486 CCOc1ccc(cc1)[C@@H](C)OCC(C)c2ccccc2 7a_100000761365_100000756946 [0,1,0,0,0,0|2,0,1]=4 485 B22R2.2486 CCOc1ccc(cc1)[C@@H](C)OCC(O)c2ccccc2 34a_100000761365_100000185958 [0,1,0,0,0,0|1,0,1]=3 486 B22R2.2486 CCOc1ccc(cc1)[C@@H](C)OCC(O)c2ccccc2 7a_100000761365_100000185958 [0,1,0,0,0,0|1,0,1]=3 487 B22R2.2486 CCOc1ccc(cc1)[C@@H](C)OC[C@@H](O)c2ccccc2 34a_100000761365_100011933945 [0,1,0,0,0,0|1,0,1]=3 488 B22R2.2486 CCOc1ccc(cc1)[C@@H](C)OC[C@@H](O)c2ccccc2 7a_100000761365_100011933945 [0,1,0,0,0,0|1,0,1]=3 489 B22R2.2486 CCOc1ccc(cn1)C(C)NCC(O)c2ccccc2 269862a_100000210709_200012002814 [0,1,0,0,0,0|1,0,2]=4 490 B22R2.2486 CCSc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000244969_100000729684 [0,1,0,0,0,0|1,1,0]=3 491 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000244969 [0,1,0,0,0,0|1,1,1]=4 492 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000244969 [0,1,0,0,0,0|1,1,1]=4 493 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000244969 [0,1,0,0,0,0|1,1,1]=4 494 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000244969 [0,1,0,0,0,0|1,1,1]=4 495 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000244969 [0,1,0,0,0,0|0,1,1]=3 496 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000244969 [0,1,0,0,0,0|0,1,1]=3 497 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000244969 [0,1,0,0,0,0|1,1,1]=4 498 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000244969 [0,1,0,0,0,0|1,1,1]=4 499 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000244969 [0,1,0,0,0,0|1,1,1]=4 500 B22R2.2486 CCSc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000244969 [0,1,0,0,0,0|1,1,1]=4 501 B22R2.2486 CCSc1ccc(cc1)C(C)NCC(O)c2ccccc2 269862a_100000210709_100000693305 [0,1,0,0,0,0|0,1,2]=4 502 B22R2.2486 COCc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000189608_100000729684 [0,1,0,0,0,0|3,0,0]=4 503 B22R2.2486 COCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000189608 [0,1,0,0,0,0|2,0,1]=4 504 B22R2.2486 COCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000189608 [0,1,0,0,0,0|2,0,1]=4 505 B22R2.2486 CSCc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000175442_100000729684 [0,1,0,0,0,0|3,0,0]=4 506 B22R2.2486 CSCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000175442 [0,1,0,0,0,0|2,0,1]=4 507 B22R2.2486 CSCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000175442 [0,1,0,0,0,0|2,0,1]=4 508 B22R2.2486 O=C(CC[C@@H](O)c1ccccc1)c2ccc(cc2)CCO 1458a_100000078963_100000729684 [0,1,0,0,0,0|3,0,0]=4 509 B22R2.2486 O=C(NCC(O)c1ccccc1)c2ccc(cc2)CCO 240690a_100000210709_100000078963 [0,1,0,0,0,0|2,0,1]=4 510 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100000229940 [0,1,0,0,0,0|1,0,2]=4 511 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 2230a_100020626992_100011982809 [0,1,0,0,0,0|1,0,2]=4 512 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100000229940 [0,1,0,0,0,0|1,0,2]=4 513 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 34a_100020626992_100011982809 [0,1,0,0,0,0|1,0,2]=4 514 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 207a_200020610344_100000229940 [0,1,0,0,0,0|1,0,2]=4 515 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 2230a_200020610344_100011982809 [0,1,0,0,0,0|1,0,2]=4 516 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100000229940 [0,1,0,0,0,0|1,0,2]=4 517 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 34a_200020610344_100011982809 [0,1,0,0,0,0|1,0,2]=4 518 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100000229940 [0,1,0,0,0,0|1,0,2]=4 519 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100000736658_100011982809 [0,1,0,0,0,0|1,0,2]=4 520 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100020632977_200011996143 [0,1,0,0,0,0|1,0,2]=4 521 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100000229940 [0,1,0,0,0,0|1,0,2]=4 522 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000736658_100011982809 [0,1,0,0,0,0|1,0,2]=4 523 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100020632977_200011996143 [0,1,0,0,0,0|1,0,2]=4 524 B22R2.2526 CCCc1ccc(cc1)CNCC(O)c2ccc(cc2)O 34a_100000067596_100011982809 [0,1,0,0,0,0|1,0,2]=4 525 B22R2.2526 CCCc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 2230a_100020632977_100000720402 [0,1,0,0,0,0|1,0,2]=4 526 B22R2.2526 CCCc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 34a_100020632977_100000720402 [0,1,0,0,0,0|1,0,2]=4 527 B22R2.2526 CCCc1ccc(cc1)CSCC(O)c2ccc(cc2)Cl 62a_100011982809_200011996143 [0,1,0,0,0,0|2,0,1]=4 528 B22R2.2526 CCCc1ccc(cc1)CSCC(O)c2ccc(cc2)Cl 62a_200011996143_100011982809 [0,1,0,0,0,0|2,0,1]=4 529 B22R2.2526 CCCc1ccc(cc1)CSC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011982809 [0,1,0,0,0,0|2,0,1]=4 530 B22R2.2526 CCCc1ccc(cc1)CSC[C@H](O)c2ccc(cc2)F 62a_100011982809_100000720402 [0,1,0,0,0,0|2,0,1]=4 531 B22R2.2526 CCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)Br 4a_100000183614_100000169836 [0,1,0,0,0,0|1,0,2]=4 532 B22R2.2526 CCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)C 4a_100000189790_100000169836 [0,1,0,0,0,0|1,0,2]=4 533 B22R2.2526 CCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)Cl 4a_100000184390_100000169836 [0,1,0,0,0,0|1,0,2]=4 534 B22R2.2526 CCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)F 4a_100000182866_100000169836 [0,1,0,0,0,0|1,0,2]=4 535 B22R2.2526 CCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)I 4a_100000189773_100000169836 [0,1,0,0,0,0|1,0,2]=4 536 B22R2.2526 CCOc1ccc(cc1)CNCC(C)c2ccc(cc2)O 207a_200015188644_100000169836 [0,1,0,0,0,0|1,0,2]=4 537 B22R2.2526 CCOc1ccc(cc1)CNCC(C)c2ccc(cc2)O 270004a_200015188644_100000169836 [0,1,0,0,0,0|1,0,2]=4 538 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100000169836 [0,1,0,0,0,0|0,0,2]=3 539 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100000169836 [0,1,0,0,0,0|0,0,2]=3 540 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)C 207a_200020610344_100000169836 [0,1,0,0,0,0|0,0,2]=3 541 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100000169836 [0,1,0,0,0,0|0,0,2]=3 542 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100000169836 [0,1,0,0,0,0|0,0,2]=3 543 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100000185588_200011996143 [0,1,0,0,0,0|0,0,2]=3 544 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100000169836 [0,1,0,0,0,0|0,0,2]=3 545 B22R2.2526 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000185588_200011996143 [0,1,0,0,0,0|0,0,2]=3 546 B22R2.2526 CCOc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 2230a_100000185588_100000720402 [0,1,0,0,0,0|0,0,2]=3 547 B22R2.2526 CCOc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 34a_100000185588_100000720402 [0,1,0,0,0,0|0,0,2]=3 548 B22R2.2526 CCOc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 34a_100000173027_200011996143 [0,1,0,0,0,0|1,0,1]=3 549 B22R2.2526 CCOc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 7a_100000173027_200011996143 [0,1,0,0,0,0|1,0,1]=3 550 B22R2.2526 CCOc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 34a_100000173027_100000720402 [0,1,0,0,0,0|1,0,1]=3 551 B22R2.2526 CCOc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 7a_100000173027_100000720402 [0,1,0,0,0,0|1,0,1]=3 552 B22R2.2526 CCOc1ccc(cn1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100012002837 [0,1,0,0,0,0|1,0,2]=4 553 B22R2.2526 CCOc1ccc(cn1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100012002837 [0,1,0,0,0,0|1,0,2]=4 554 B22R2.2526 CCOc1ccc(cn1)CNCC(O)c2ccc(cc2)C 207a_200020610344_100012002837 [0,1,0,0,0,0|1,0,2]=4 555 B22R2.2526 CCOc1ccc(cn1)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100012002837 [0,1,0,0,0,0|1,0,2]=4 556 B22R2.2526 CCOc1ccc(cn1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100012002837 [0,1,0,0,0,0|1,0,2]=4 557 B22R2.2526 CCOc1ccc(cn1)CNCC(O)c2ccc(cc2)Cl 2230a_100102710506_200011996143 [0,1,0,0,0,0|1,0,2]=4 558 B22R2.2526 CCOc1ccc(cn1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100012002837 [0,1,0,0,0,0|1,0,2]=4 559 B22R2.2526 CCOc1ccc(cn1)CNC[C@H](O)c2ccc(cc2)F 2230a_100102710506_100000720402 [0,1,0,0,0,0|1,0,2]=4 560 B22R2.2526 CCOc1ccc(nc1)COCC(O)c2ccc(cc2)Cl 34a_200012645146_200011996143 [0,1,0,0,0,0|2,0,1]=4 561 B22R2.2526 CCOc1ccc(nc1)COC[C@H](O)c2ccc(cc2)F 34a_200012645146_100000720402 [0,1,0,0,0,0|2,0,1]=4 562 B22R2.4081 C#CCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000172624 [0,1,0,0,0,0|0,0,3]=4 563 B22R2.4081 C#CCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000172624 [0,1,0,0,0,0|0,0,3]=4 564 B22R2.4081 C#CCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000753246_100000729684 [0,1,0,0,0,0|2,0,1]=4 565 B22R2.4081 C#CCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000753246_100000729684 [0,1,0,0,0,0|2,0,1]=4 566 B22R2.4081 C=CCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000172049 [0,1,0,0,0,0|0,0,3]=4 567 B22R2.4081 C=CCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000172049 [0,1,0,0,0,0|0,0,3]=4 568 B22R2.4081 C=CCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000172055_100000729684 [0,1,0,0,0,0|2,0,1]=4 569 B22R2.4081 C=CCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000172055 [0,1,0,0,0,0|2,0,1]=4 570 B22R2.4081 CC(CNCc1ccc(cc1)OCCO)c2ccccc2 207a_100000701038_100011219967 [0,1,0,0,0,0|1,0,2]=4 571 B22R2.4081 CC(CNCc1ccc(cc1)OCCO)c2ccccc2 270004a_100000701038_100011219967 [0,1,0,0,0,0|1,0,2]=4 572 B22R2.4081 CCCCc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100011219593 [0,1,0,0,0,0|1,0,2]=4 573 B22R2.4081 CCCCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100011934885 [0,1,0,0,0,0|1,0,2]=4 574 B22R2.4081 CCCCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100011216224_100000185958 [0,1,0,0,0,0|1,0,2]=4 575 B22R2.4081 CCCCc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100011219593 [0,1,0,0,0,0|1,0,2]=4 576 B22R2.4081 CCCCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100011216224_100000185958 [0,1,0,0,0,0|1,0,2]=4 577 B22R2.4081 CCCCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100011216224_100011933945 [0,1,0,0,0,0|1,0,2]=4 578 B22R2.4081 CCCCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100011216224_100011933945 [0,1,0,0,0,0|1,0,2]=4 579 B22R2.4081 CCCCc1ccc(cc1)COCC(O)c2ccccc2 34a_200011217888_100000185958 [0,1,0,0,0,0|2,0,1]=4 580 B22R2.4081 CCCCc1ccc(cc1)COCC(O)c2ccccc2 7a_200011217888_100000185958 [0,1,0,0,0,0|2,0,1]=4 581 B22R2.4081 CCCCc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_200011217888_100011933945 [0,1,0,0,0,0|2,0,1]=4 582 B22R2.4081 CCCCc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_200011217888_100011933945 [0,1,0,0,0,0|2,0,1]=4 583 B22R2.4081 CCCCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100011934885 [0,1,0,0,0,0|2,0,1]=4 584 B22R2.4081 CCCCc1ccc(cc1)CSCC(O)c2ccccc2 62a_100011934885_100000185958 [0,1,0,0,0,0|2,0,1]=4 585 B22R2.4081 CCCCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100011934885 [0,1,0,0,0,0|2,0,1]=4 586 B22R2.4081 CCCCc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011934885_100011933945 [0,1,0,0,0,0|2,0,1]=4 587 B22R2.4081 CCCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000210628_100000729684 [0,1,0,0,0,0|3,0,0]=4 588 B22R2.4081 CCCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000210628_100000729684 [0,1,0,0,0,0|3,0,0]=4 589 B22R2.4081 CCCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100011216022_100000729684 [0,1,0,0,0,0|3,0,0]=4 590 B22R2.4081 CCCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100011216022_100000729684 [0,1,0,0,0,0|3,0,0]=4 591 B22R2.4081 CCCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011218101 [0,1,0,0,0,0|3,0,0]=4 592 B22R2.4081 CCCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011218101_100000729684 [0,1,0,0,0,0|3,0,0]=4 593 B22R2.4081 CCCOc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000169838 [0,1,0,0,0,0|1,0,2]=4 594 B22R2.4081 CCCOc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000169838 [0,1,0,0,0,0|1,0,2]=4 595 B22R2.4081 CCCOc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000701038_100000691472 [0,1,0,0,0,0|1,0,2]=4 596 B22R2.4081 CCCOc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000169838 [0,1,0,0,0,0|1,0,2]=4 597 B22R2.4081 CCCOc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000701038_100000691472 [0,1,0,0,0,0|1,0,2]=4 598 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000169838 [0,1,0,0,0,0|0,0,2]=3 599 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000691472 [0,1,0,0,0,0|0,0,2]=3 600 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000169838 [0,1,0,0,0,0|0,0,2]=3 601 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000169838 [0,1,0,0,0,0|1,0,2]=4 602 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2ccccn2 2230a_100000691469_100000691472 [0,1,0,0,0,0|1,0,2]=4 603 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000169838 [0,1,0,0,0,0|1,0,2]=4 604 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000169838 [0,1,0,0,0,0|1,0,2]=4 605 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2cccnc2 2230a_100020605170_100000691472 [0,1,0,0,0,0|1,0,2]=4 606 B22R2.4081 CCCOc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000169838 [0,1,0,0,0,0|1,0,2]=4 607 B22R2.4081 CCCOc1ccc(cc1)COCC(C)c2ccccc2 34a_100000173360_100000756946 [0,1,0,0,0,0|2,0,1]=4 608 B22R2.4081 CCCOc1ccc(cc1)COCC(C)c2ccccc2 34a_100011215166_100000691472 [0,1,0,0,0,0|2,0,1]=4 609 B22R2.4081 CCCOc1ccc(cc1)COCC(C)c2ccccc2 7a_100000173360_100000756946 [0,1,0,0,0,0|2,0,1]=4 610 B22R2.4081 CCCOc1ccc(cc1)COCC(C)c2ccccc2 7a_100011215166_100000691472 [0,1,0,0,0,0|2,0,1]=4 611 B22R2.4081 CCCOc1ccc(cc1)COCC(O)c2ccccc2 34a_100000173360_100000185958 [0,1,0,0,0,0|1,0,1]=3 612 B22R2.4081 CCCOc1ccc(cc1)COCC(O)c2ccccc2 7a_100000173360_100000185958 [0,1,0,0,0,0|1,0,1]=3 613 B22R2.4081 CCCOc1ccc(cc1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000691472 [0,1,0,0,0,0|2,0,1]=4 614 B22R2.4081 CCCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000173360_100011933945 [0,1,0,0,0,0|1,0,1]=3 615 B22R2.4081 CCCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100000173360_100011933945 [0,1,0,0,0,0|1,0,1]=3 616 B22R2.4081 CCCOc1ccc(cc1)CSCC(C)c2ccccc2 62a_100000756946_100000691472 [0,1,0,0,0,0|2,0,1]=4 617 B22R2.4081 CCCOc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000691472 [0,1,0,0,0,0|1,0,1]=3 618 B22R2.4081 CCCOc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000691472 [0,1,0,0,0,0|1,0,1]=3 619 B22R2.4081 CCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000748631_100000729684 [0,1,0,0,0,0|2,0,0]=3 620 B22R2.4081 CCCOc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000185468_100000729684 [0,1,0,0,0,0|2,0,0]=3 621 B22R2.4081 CCCOc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000185468_100000729684 [0,1,0,0,0,0|2,0,0]=3 622 B22R2.4081 CCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000169948_100000729684 [0,1,0,0,0,0|2,0,0]=3 623 B22R2.4081 CCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000169948 [0,1,0,0,0,0|2,0,0]=3 624 B22R2.4081 CCCOc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011465619 [0,1,0,0,0,0|3,0,0]=4 625 B22R2.4081 CCCOc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100011465619_100000729684 [0,1,0,0,0,0|3,0,0]=4 626 B22R2.4081 CCCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000719977_100000729684 [0,1,0,0,0,0|3,0,0]=4 627 B22R2.4081 CCCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000719977 [0,1,0,0,0,0|3,0,0]=4 628 B22R2.4081 CCCSc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100015183887_100000729684 [0,1,0,0,0,0|2,1,0]=4 629 B22R2.4081 CCCSc1ccc(cc1)NCC[C@@H](O)c2ccccc2 7a_100015183887_100000729684 [0,1,0,0,0,0|2,1,0]=4 630 B22R2.4081 CCCSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200009811899 [0,1,0,0,0,0|2,1,0]=4 631 B22R2.4081 CCCSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_200009811899_100000729684 [0,1,0,0,0,0|2,1,0]=4 632 B22R2.4081 CCNCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000748449_100000729684 [0,1,0,0,0,0|3,0,0]=4 633 B22R2.4081 CCNCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000187385_100000729684 [0,1,0,0,0,0|3,0,0]=4 634 B22R2.4081 CCNCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000187385 [0,1,0,0,0,0|3,0,0]=4 635 B22R2.4081 CCOCc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000737407_100000756946 [0,1,0,0,0,0|1,0,2]=4 636 B22R2.4081 CCOCc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000737407_100000212034 [0,1,0,0,0,0|1,0,2]=4 637 B22R2.4081 CCOCc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000737407_100000756946 [0,1,0,0,0,0|1,0,2]=4 638 B22R2.4081 CCOCc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000737407_100000185958 [0,1,0,0,0,0|0,0,2]=3 639 B22R2.4081 CCOCc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000737407_100000185958 [0,1,0,0,0,0|0,0,2]=3 640 B22R2.4081 CCOCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000737407_100011933945 [0,1,0,0,0,0|0,0,2]=3 641 B22R2.4081 CCOCc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000737407_100011933945 [0,1,0,0,0,0|0,0,2]=3 642 B22R2.4081 CCOCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000758564 [0,1,0,0,0,0|2,0,0]=3 643 B22R2.4081 CCOCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000758564_100000729684 [0,1,0,0,0,0|2,0,0]=3 644 B22R2.4081 CCOCc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011206209 [0,1,0,0,0,0|3,0,0]=4 645 B22R2.4081 CCOCc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100011206209_100000729684 [0,1,0,0,0,0|3,0,0]=4 646 B22R2.4081 CNCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100016989440_100000729684 [0,1,0,0,0,0|3,0,0]=4 647 B22R2.4081 CNCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000752880 [0,1,0,0,0,0|3,0,0]=4 648 B22R2.4081 CNCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000752880_100000729684 [0,1,0,0,0,0|3,0,0]=4 649 B22R2.4081 COCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211638_100000729684 [0,1,0,0,0,0|3,0,0]=4 650 B22R2.4081 COCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000211638_100000729684 [0,1,0,0,0,0|3,0,0]=4 651 B22R2.4081 COCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000739703 [0,1,0,0,0,0|3,0,0]=4 652 B22R2.4081 COCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000739703_100000729684 [0,1,0,0,0,0|3,0,0]=4 653 B22R2.4081 COCOc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_200012265912_100000729684 [0,1,0,0,0,0|2,0,0]=3 654 B22R2.4081 COCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012265687 [0,1,0,0,0,0|2,0,0]=3 655 B22R2.4081 COCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100012265687_100000729684 [0,1,0,0,0,0|2,0,0]=3 656 B22R2.4081 COCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012568617 [0,1,0,0,0,0|3,0,0]=4 657 B22R2.4081 COCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100012568617_100000729684 [0,1,0,0,0,0|3,0,0]=4 658 B22R2.4081 CSCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000750819_100000729684 [0,1,0,0,0,0|3,0,0]=4 659 B22R2.4081 CSCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000750819_100000729684 [0,1,0,0,0,0|3,0,0]=4 660 B22R2.4081 CSCCc1ccc(cc1)NCC[C@@H](O)c2ccccc2 7a_100000750819_100000729684 [0,1,0,0,0,0|3,0,0]=4 661 B22R2.4081 N#CCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000169417 [0,1,0,0,0,0|0,0,3]=4 662 B22R2.4081 N#CCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000169417 [0,1,0,0,0,0|0,0,3]=4 663 B22R2.4081 N#CCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200000169425 [0,1,0,0,0,0|2,0,1]=4 664 B22R2.4081 N#CCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_200000169425_100000729684 [0,1,0,0,0,0|2,0,1]=4 665 B22R2.4081 NCCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011297623 [0,1,0,0,0,0|3,0,0]=4 666 B22R2.4081 NCCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011297623_100000729684 [0,1,0,0,0,0|3,0,0]=4 667 B22R2.4081 NCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000746992 [0,1,0,0,0,0|2,0,0]=3 668 B22R2.4081 NCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000746992_100000729684 [0,1,0,0,0,0|2,0,0]=3 669 B22R2.4081 NCCSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000184645_100000729684 [0,1,0,0,0,0|2,1,0]=4 670 B22R2.4081 NCCSc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000184645 [0,1,0,0,0,0|2,1,0]=4 671 B22R2.4081 O=C(NN=Cc1ccc(cc1)OCCO)c2ccccc2 4a_100000184135_100011219967 [0,1,0,0,0,0|1,0,2]=4 672 B22R2.4081 OCCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100011215268_100000729684 [0,1,0,0,0,0|3,0,0]=4 673 B22R2.4081 OCCCc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100011215268_100000729684 [0,1,0,0,0,0|3,0,0]=4 674 B22R2.4081 OCCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011709247 [0,1,0,0,0,0|3,0,0]=4 675 B22R2.4081 OCCCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011709247_100000729684 [0,1,0,0,0,0|3,0,0]=4 676 B22R2.4081 OCCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100011219967 [0,1,0,0,0,0|0,0,2]=3 677 B22R2.4081 OCCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100011219967 [0,1,0,0,0,0|0,0,2]=3 678 B22R2.4081 OCCOc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100011219967 [0,1,0,0,0,0|1,0,2]=4 679 B22R2.4081 OCCOc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100011219967 [0,1,0,0,0,0|1,0,2]=4 680 B22R2.4081 OCCOc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100011219967 [0,1,0,0,0,0|1,0,2]=4 681 B22R2.4081 OCCOc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100011219967 [0,1,0,0,0,0|1,0,2]=4 682 B22R2.4081 OCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000754363_100000729684 [0,1,0,0,0,0|2,0,0]=3 683 B22R2.4081 OCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000754363_100000729684 [0,1,0,0,0,0|2,0,0]=3 684 B22R2.4081 OCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000686261_100000729684 [0,1,0,0,0,0|2,0,0]=3 685 B22R2.4081 OCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000686261 [0,1,0,0,0,0|2,0,0]=3 686 B22R2.4081 OCCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200013150534 [0,1,0,0,0,0|3,0,0]=4 687 B22R2.4081 OCCOc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_200013150534_100000729684 [0,1,0,0,0,0|3,0,0]=4 688 B22R2.4081 O[C@H](CCNc1ccc(cc1)OCCF)c2ccccc2 34a_100012282086_100000729684 [0,1,0,0,0,0|2,0,0]=3 689 B22R2.4081 O[C@H](CCSc1ccc(cc1)OCCF)c2ccccc2 62a_100000729684_100012347556 [0,1,0,0,0,0|2,0,0]=3 690 B22R2.4081 O[C@H](CCSc1ccc(cc1)OCCF)c2ccccc2 62a_100012347556_100000729684 [0,1,0,0,0,0|2,0,0]=3 691 B22R2.24690 CCC(=O)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000212119_100000729684 [0,1,0,0,0,0|3,0,0]=4 692 B22R2.24690 CCC(=O)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000212119_100000729684 [0,1,0,0,0,0|3,0,0]=4 693 B22R2.24690 CCC(=O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000211647_100000729684 [0,1,0,0,0,0|3,0,0]=4 694 B22R2.24690 CCC(=O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000211647 [0,1,0,0,0,0|3,0,0]=4 695 B22R2.24690 CCC(C)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000211316_100000729684 [0,1,0,0,0,0|3,0,0]=4 696 B22R2.24690 CCC(C)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000211316_100000729684 [0,1,0,0,0,0|3,0,0]=4 697 B22R2.24690 CCC(C)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 7a_100000211316_100000729684 [0,1,0,0,0,0|3,0,0]=4 698 B22R2.24690 CCC(C)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000211540_100000729684 [0,1,0,0,0,0|3,0,0]=4 699 B22R2.24690 CCC(C)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000211540_100000729684 [0,1,0,0,0,0|3,0,0]=4 700 B22R2.24690 CCC(C)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011221364 [0,1,0,0,0,0|3,0,0]=4 701 B22R2.24690 CCC(C)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011221364_100000729684 [0,1,0,0,0,0|3,0,0]=4 702 B22R2.24690 CCC(N)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100015187210_100000729684 [0,1,0,0,0,0|3,0,0]=4 703 B22R2.24690 CCC(O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000246506_100000729684 [0,1,0,0,0,0|3,0,0]=4 704 B22R2.24690 CCC(O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000246506 [0,1,0,0,0,0|3,0,0]=4 705 B22R2.24690 CC[C@H](N)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100025736560 [0,1,0,0,0,0|3,0,0]=4 706 B22R2.24690 CC[C@H](N)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100025736560_100000729684 [0,1,0,0,0,0|3,0,0]=4 707 B22R2.26806 CC(=O)Oc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000014718 [0,1,0,0,0,0|0,0,3]=4 708 B22R2.26806 CC(=O)Oc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000033664 [0,1,0,0,0,0|0,0,3]=4 709 B22R2.26806 CC(=O)Oc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000014718 [0,1,0,0,0,0|0,0,3]=4 710 B22R2.26806 CC(=O)Oc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000033664 [0,1,0,0,0,0|1,0,2]=4 711 B22R2.26806 CC(=O)Oc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000033664 [0,1,0,0,0,0|1,0,2]=4 712 B22R2.26806 CC(=O)Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000002173 [0,1,0,0,0,0|2,0,1]=4 713 B22R2.26806 CC(=S)Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200009816735 [0,1,0,0,0,0|2,0,1]=4 714 B22R2.26806 CC(C)Cc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000749234 [0,1,0,0,0,0|1,0,2]=4 715 B22R2.26806 CC(C)Cc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100011982790 [0,1,0,0,0,0|1,0,2]=4 716 B22R2.26806 CC(C)Cc1ccc(cc1)CNCC(O)c2ccccc2 269862a_100000210709_100000749234 [0,1,0,0,0,0|1,0,2]=4 717 B22R2.26806 CC(C)Cc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000749234 [0,1,0,0,0,0|1,0,2]=4 718 B22R2.26806 CC(C)Cc1ccc(cc1)COCC(O)c2ccccc2 34a_200011266444_100000185958 [0,1,0,0,0,0|2,0,1]=4 719 B22R2.26806 CC(C)Cc1ccc(cc1)COCC(O)c2ccccc2 7a_200011266444_100000185958 [0,1,0,0,0,0|2,0,1]=4 720 B22R2.26806 CC(C)Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_200011266444_100011933945 [0,1,0,0,0,0|2,0,1]=4 721 B22R2.26806 CC(C)Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_200011266444_100011933945 [0,1,0,0,0,0|2,0,1]=4 722 B22R2.26806 CC(C)Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100011982790 [0,1,0,0,0,0|2,0,1]=4 723 B22R2.26806 CC(C)Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100011982790_100000185958 [0,1,0,0,0,0|2,0,1]=4 724 B22R2.26806 CC(C)Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100011982790 [0,1,0,0,0,0|2,0,1]=4 725 B22R2.26806 CC(C)Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011982790_100011933945 [0,1,0,0,0,0|2,0,1]=4 726 B22R2.26806 CC(C)Cc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000687309_100000729684 [0,1,0,0,0,0|3,0,0]=4 727 B22R2.26806 CC(C)Cc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000687309_100000729684 [0,1,0,0,0,0|3,0,0]=4 728 B22R2.26806 CC(C)Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011221366 [0,1,0,0,0,0|3,0,0]=4 729 B22R2.26806 CC(C)Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100011221366_100000729684 [0,1,0,0,0,0|3,0,0]=4 730 B22R2.26806 CC(C)Nc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000219625_100000729684 [0,1,0,0,0,0|3,0,0]=4 731 B22R2.26806 CC(C)Nc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000219625 [0,1,0,0,0,0|3,0,0]=4 732 B22R2.26806 CC(C)Oc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000169837 [0,1,0,0,0,0|1,0,2]=4 733 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000169837 [0,1,0,0,0,0|1,0,2]=4 734 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100020586559_100000756946 [0,1,0,0,0,0|1,0,2]=4 735 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000169837 [0,1,0,0,0,0|1,0,2]=4 736 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100020586559_100000212034 [0,1,0,0,0,0|1,0,2]=4 737 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(C)c2ccccc2 34a_100020586559_100000756946 [0,1,0,0,0,0|1,0,2]=4 738 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000169837 [0,1,0,0,0,0|0,0,2]=3 739 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100020586559_100000185958 [0,1,0,0,0,0|0,0,2]=3 740 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000169837 [0,1,0,0,0,0|0,0,2]=3 741 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 34a_100020586559_100000185958 [0,1,0,0,0,0|0,0,2]=3 742 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000169837 [0,1,0,0,0,0|1,0,2]=4 743 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000169837 [0,1,0,0,0,0|1,0,2]=4 744 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000169837 [0,1,0,0,0,0|1,0,2]=4 745 B22R2.26806 CC(C)Oc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000169837 [0,1,0,0,0,0|1,0,2]=4 746 B22R2.26806 CC(C)Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100020586559_100011933945 [0,1,0,0,0,0|0,0,2]=3 747 B22R2.26806 CC(C)Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100020586559_100011933945 [0,1,0,0,0,0|0,0,2]=3 748 B22R2.26806 CC(C)Oc1ccc(cc1)COCC(C)c2ccccc2 34a_100000173089_100000756946 [0,1,0,0,0,0|2,0,1]=4 749 B22R2.26806 CC(C)Oc1ccc(cc1)COCC(C)c2ccccc2 7a_100000173089_100000756946 [0,1,0,0,0,0|2,0,1]=4 750 B22R2.26806 CC(C)Oc1ccc(cc1)COCC(O)c2ccccc2 34a_100000173089_100000185958 [0,1,0,0,0,0|1,0,1]=3 751 B22R2.26806 CC(C)Oc1ccc(cc1)COCC(O)c2ccccc2 7a_100000173089_100000185958 [0,1,0,0,0,0|1,0,1]=3 752 B22R2.26806 CC(C)Oc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000173089_100011933945 [0,1,0,0,0,0|1,0,1]=3 753 B22R2.26806 CC(C)Oc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100000173089_100011933945 [0,1,0,0,0,0|1,0,1]=3 754 B22R2.26806 CC(C)Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100011194259_100000729684 [0,1,0,0,0,0|2,0,0]=3 755 B22R2.26806 CC(C)Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100011194259_100000729684 [0,1,0,0,0,0|2,0,0]=3 756 B22R2.26806 CC(C)Oc1ccc(cc1)NN=CC(C)c2ccccc2 4a_100016991999_100000212034 [0,1,0,0,0,0|2,0,1]=4 757 B22R2.26806 CC(C)Oc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000757185_100000729684 [0,1,0,0,0,0|2,0,0]=3 758 B22R2.26806 CC(C)Oc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000757185_100000729684 [0,1,0,0,0,0|2,0,0]=3 759 B22R2.26806 CC(C)Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000169947_100000729684 [0,1,0,0,0,0|2,0,0]=3 760 B22R2.26806 CC(C)Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000169947 [0,1,0,0,0,0|2,0,0]=3 761 B22R2.26806 CC(C)Oc1ccc(cn1)CNCC(O)c2ccccc2 207a_100000210709_100011998172 [0,1,0,0,0,0|1,0,2]=4 762 B22R2.26806 CC(C)Oc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100000740622_100000185958 [0,1,0,0,0,0|1,0,2]=4 763 B22R2.26806 CC(C)Oc1ccc(cn1)CNCC(O)c2ccccc2 270004a_100000210709_100011998172 [0,1,0,0,0,0|1,0,2]=4 764 B22R2.26806 CC(C)Oc1ccc(cn1)CNCC(O)c2ccccc2 34a_100000740622_100000185958 [0,1,0,0,0,0|1,0,2]=4 765 B22R2.26806 CC(C)Oc1ccc(cn1)CNC[C@@H](O)c2ccccc2 2230a_100000740622_100011933945 [0,1,0,0,0,0|1,0,2]=4 766 B22R2.26806 CC(C)Oc1ccc(cn1)CNC[C@@H](O)c2ccccc2 34a_100000740622_100011933945 [0,1,0,0,0,0|1,0,2]=4 767 B22R2.26806 CC(C)Oc1ccc(cn1)OCC[C@@H](O)c2ccccc2 34a_100009858630_100000729684 [0,1,0,0,0,0|3,0,0]=4 768 B22R2.26806 CC(C)Oc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000688564_100000729684 [0,1,0,0,0,0|3,0,0]=4 769 B22R2.26806 CC(C)Oc1ccc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000688564 [0,1,0,0,0,0|3,0,0]=4 770 B22R2.26806 CC(C)Oc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012354243 [0,1,0,0,0,0|3,0,0]=4 771 B22R2.26806 CC(C)Oc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100012354243_100000729684 [0,1,0,0,0,0|3,0,0]=4 772 B22R2.26806 CC(C)Sc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_200011925711 [0,1,0,0,0,0|0,1,2]=4 773 B22R2.26806 CC(C)Sc1ccc(cc1)CNCC(O)c2ccccc2 269862a_100000210709_200011925711 [0,1,0,0,0,0|0,1,2]=4 774 B22R2.26806 CC(C)Sc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_200011925711 [0,1,0,0,0,0|0,1,2]=4 775 B22R2.26806 CC(C)Sc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009811894 [0,1,0,0,0,0|2,1,0]=4 776 B22R2.26806 CC(C)Sc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100009811894_100000729684 [0,1,0,0,0,0|2,1,0]=4 777 B22R2.26806 CC(N)Cc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100102634573_100000729684 [0,1,0,0,0,0|3,0,0]=4 778 B22R2.26806 OC(CNCc1ccc(cc1)OC(F)F)c2ccccc2 207a_100000210709_100000179041 [0,1,0,0,0,0|1,0,2]=4 779 B22R2.26806 OC(CNCc1ccc(cc1)OC(F)F)c2ccccc2 2230a_100000181771_100000185958 [0,1,0,0,0,0|1,0,2]=4 780 B22R2.26806 OC(CNCc1ccc(cc1)OC(F)F)c2ccccc2 2230a_100000210709_100011217905 [0,1,0,0,0,0|1,0,2]=4 781 B22R2.26806 OC(CNCc1ccc(cc1)OC(F)F)c2ccccc2 270004a_100000210709_100000179041 [0,1,0,0,0,0|1,0,2]=4 782 B22R2.26806 OC(CNCc1ccc(cc1)OC(F)F)c2ccccc2 34a_100000181771_100000185958 [0,1,0,0,0,0|1,0,2]=4 783 B22R2.26806 OC(COCc1ccc(cc1)OC(F)F)c2ccccc2 34a_100000742319_100000185958 [0,1,0,0,0,0|2,0,1]=4 784 B22R2.26806 OC(COCc1ccc(cc1)OC(F)F)c2ccccc2 7a_100000742319_100000185958 [0,1,0,0,0,0|2,0,1]=4 785 B22R2.26806 OC(CSCc1ccc(cc1)OC(F)F)c2ccccc2 62a_100000185958_100011217905 [0,1,0,0,0,0|2,0,1]=4 786 B22R2.26806 OC(CSCc1ccc(cc1)OC(F)F)c2ccccc2 62a_100011217905_100000185958 [0,1,0,0,0,0|2,0,1]=4 787 B22R2.26806 O[C@H](CCNc1ccc(cc1)OC(F)F)c2ccccc2 2230a_100000183591_100000729684 [0,1,0,0,0,0|3,0,0]=4 788 B22R2.26806 O[C@H](CCNc1ccc(cc1)OC(F)F)c2ccccc2 34a_100000183591_100000729684 [0,1,0,0,0,0|3,0,0]=4 789 B22R2.26806 O[C@H](CCOc1ccc(cc1)OC(F)F)c2ccccc2 34a_100011217645_100000729684 [0,1,0,0,0,0|3,0,0]=4 790 B22R2.26806 O[C@H](CCOc1ccc(cc1)OC(F)F)c2ccccc2 7a_100011217645_100000729684 [0,1,0,0,0,0|3,0,0]=4 791 B22R2.26806 O[C@H](CCSc1ccc(cc1)OC(F)F)c2ccccc2 62a_100000179047_100000729684 [0,1,0,0,0,0|3,0,0]=4 792 B22R2.26806 O[C@H](CCSc1ccc(cc1)OC(F)F)c2ccccc2 62a_100000729684_100000179047 [0,1,0,0,0,0|3,0,0]=4 793 B22R2.26806 O[C@H](CNCc1ccc(cc1)OC(F)F)c2ccccc2 2230a_100000181771_100011933945 [0,1,0,0,0,0|1,0,2]=4 794 B22R2.26806 O[C@H](CNCc1ccc(cc1)OC(F)F)c2ccccc2 34a_100000181771_100011933945 [0,1,0,0,0,0|1,0,2]=4 795 B22R2.26806 O[C@H](COCc1ccc(cc1)OC(F)F)c2ccccc2 34a_100000742319_100011933945 [0,1,0,0,0,0|2,0,1]=4 796 B22R2.26806 O[C@H](COCc1ccc(cc1)OC(F)F)c2ccccc2 7a_100000742319_100011933945 [0,1,0,0,0,0|2,0,1]=4 797 B22R2.26806 O[C@H](CSCc1ccc(cc1)OC(F)F)c2ccccc2 62a_100011217905_100011933945 [0,1,0,0,0,0|2,0,1]=4 798 B22R2.26806 O[C@H](CSCc1ccc(cc1)OC(F)F)c2ccccc2 62a_100011933945_100011217905 [0,1,0,0,0,0|2,0,1]=4 799 B22R2.35782 CCCc1ccc(cc1)CNCC(O)c2ccccc2Br 207a_100011236429_100000229940 [0,1,0,0,0,0|1,0,2]=4 800 B22R2.35782 CCCc1ccc(cc1)CNCC(O)c2ccccc2Br 2230a_100011236429_100011982809 [0,1,0,0,0,0|1,0,2]=4 801 B22R2.35782 CCCc1ccc(cc1)CNCC(O)c2ccccc2Br 270004a_100011236429_100000229940 [0,1,0,0,0,0|1,0,2]=4 802 B22R2.35782 CCCc1ccc(cc1)CNCC(O)c2ccccc2Cl 207a_200000759403_100000229940 [0,1,0,0,0,0|1,0,2]=4 803 B22R2.35782 CCCc1ccc(cc1)CNCC(O)c2ccccc2Cl 2230a_200000759403_100011982809 [0,1,0,0,0,0|1,0,2]=4 804 B22R2.35782 CCCc1ccc(cc1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100000229940 [0,1,0,0,0,0|1,0,2]=4 805 B22R2.35782 CCCc1ccc(cc1)CNCC(O)c2ccccc2Cl 34a_200000759403_100011982809 [0,1,0,0,0,0|1,0,2]=4 806 B22R2.35782 CCOc1ccc(cc1)C=NNC(=O)c2ccccc2Br 4a_100000183644_100000169836 [0,1,0,0,0,0|1,0,2]=4 807 B22R2.35782 CCOc1ccc(cc1)C=NNC(=O)c2ccccc2C 4a_100000181371_100000169836 [0,1,0,0,0,0|1,0,2]=4 808 B22R2.35782 CCOc1ccc(cc1)C=NNC(=O)c2ccccc2Cl 4a_100000186534_100000169836 [0,1,0,0,0,0|1,0,2]=4 809 B22R2.35782 CCOc1ccc(cc1)C=NNC(=O)c2ccccc2F 4a_100000183521_100000169836 [0,1,0,0,0,0|1,0,2]=4 810 B22R2.35782 CCOc1ccc(cc1)C=NNC(=O)c2ccccc2I 4a_100000190081_100000169836 [0,1,0,0,0,0|1,0,2]=4 811 B22R2.35782 CCOc1ccc(cc1)CNCC(O)c2ccccc2Br 207a_100011236429_100000169836 [0,1,0,0,0,0|0,0,2]=3 812 B22R2.35782 CCOc1ccc(cc1)CNCC(O)c2ccccc2Br 270004a_100011236429_100000169836 [0,1,0,0,0,0|0,0,2]=3 813 B22R2.35782 CCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 207a_200000759403_100000169836 [0,1,0,0,0,0|0,0,2]=3 814 B22R2.35782 CCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100000169836 [0,1,0,0,0,0|0,0,2]=3 815 B22R2.35782 CCOc1ccc(cn1)CNCC(O)c2ccccc2Br 207a_100011236429_100012002837 [0,1,0,0,0,0|1,0,2]=4 816 B22R2.35782 CCOc1ccc(cn1)CNCC(O)c2ccccc2Br 270004a_100011236429_100012002837 [0,1,0,0,0,0|1,0,2]=4 817 B22R2.35782 CCOc1ccc(cn1)CNCC(O)c2ccccc2Cl 207a_200000759403_100012002837 [0,1,0,0,0,0|1,0,2]=4 818 B22R2.35782 CCOc1ccc(cn1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100012002837 [0,1,0,0,0,0|1,0,2]=4 819 B22R2.134611 CCOc1ccc(cc1)C=CC(=O)C(C)c2ccccc2 1458a_100000690215_100000230085 [0,1,0,0,0,0|2,0,1]=4 820 B22R2.134611 CCOc1ccc(cc1)CNC(=O)[C@H](O)c2ccccc2 240690a_100000185588_100000684486 [0,1,0,0,0,0|0,0,3]=4 821 B22R2.134611 CCOc1ccc(cc1)NNC(=O)[C@H](O)c2ccccc2 22a_100000738955_100000684486 [0,1,0,0,0,0|1,0,2]=4 822 B22R2.135527 CCOc1ccc(cc1Br)C=NNC(=O)c2ccccc2 4a_100000184135_100000173028 [0,1,0,0,0,0|1,0,2]=4 823 B22R2.135527 CCOc1ccc(cc1Br)CNCC(C)c2ccccc2 207a_100000701038_100000173028 [0,1,0,0,0,0|1,0,2]=4 824 B22R2.135527 CCOc1ccc(cc1Br)CNCC(C)c2ccccc2 270004a_100000701038_100000173028 [0,1,0,0,0,0|1,0,2]=4 825 B22R2.135527 CCOc1ccc(cc1Br)CNCC(O)c2ccccc2 207a_100000210709_100000173028 [0,1,0,0,0,0|0,0,2]=3 826 B22R2.135527 CCOc1ccc(cc1Br)CNCC(O)c2ccccc2 270004a_100000210709_100000173028 [0,1,0,0,0,0|0,0,2]=3 827 B22R2.135527 CCOc1ccc(cc1Br)CNCC(O)c2ccccn2 207a_100000691469_100000173028 [0,1,0,0,0,0|1,0,2]=4 828 B22R2.135527 CCOc1ccc(cc1Br)CNCC(O)c2ccccn2 270004a_100000691469_100000173028 [0,1,0,0,0,0|1,0,2]=4 829 B22R2.135527 CCOc1ccc(cc1Br)CNCC(O)c2cccnc2 207a_100020605170_100000173028 [0,1,0,0,0,0|1,0,2]=4 830 B22R2.135527 CCOc1ccc(cc1Br)CNCC(O)c2cccnc2 270004a_100020605170_100000173028 [0,1,0,0,0,0|1,0,2]=4 831 B22R2.135527 CCOc1ccc(cc1Br)COCC(C)c2ccccc2 34a_200011800839_100000756946 [0,1,0,0,0,0|2,0,1]=4 832 B22R2.135527 CCOc1ccc(cc1Br)COCC(C)c2ccccc2 7a_200011800839_100000756946 [0,1,0,0,0,0|2,0,1]=4 833 B22R2.135527 CCOc1ccc(cc1Br)COCC(O)c2ccccc2 34a_200011800839_100000185958 [0,1,0,0,0,0|1,0,1]=3 834 B22R2.135527 CCOc1ccc(cc1Br)COCC(O)c2ccccc2 7a_200011800839_100000185958 [0,1,0,0,0,0|1,0,1]=3 835 B22R2.135527 CCOc1ccc(cc1Br)COC[C@@H](O)c2ccccc2 34a_200011800839_100011933945 [0,1,0,0,0,0|1,0,1]=3 836 B22R2.135527 CCOc1ccc(cc1Br)COC[C@@H](O)c2ccccc2 7a_200011800839_100011933945 [0,1,0,0,0,0|1,0,1]=3 837 B22R2.135527 CCOc1ccc(cc1C)C=NNC(=O)c2ccccc2 4a_100000184135_100012017204 [0,1,0,0,0,0|1,0,2]=4 838 B22R2.135527 CCOc1ccc(cc1C)CNCC(C)c2ccccc2 207a_100000701038_100012017204 [0,1,0,0,0,0|1,0,2]=4 839 B22R2.135527 CCOc1ccc(cc1C)CNCC(C)c2ccccc2 270004a_100000701038_100012017204 [0,1,0,0,0,0|1,0,2]=4 840 B22R2.135527 CCOc1ccc(cc1C)CNCC(O)c2ccccc2 207a_100000210709_100012017204 [0,1,0,0,0,0|0,0,2]=3 841 B22R2.135527 CCOc1ccc(cc1C)CNCC(O)c2ccccc2 270004a_100000210709_100012017204 [0,1,0,0,0,0|0,0,2]=3 842 B22R2.135527 CCOc1ccc(cc1C)CNCC(O)c2ccccn2 207a_100000691469_100012017204 [0,1,0,0,0,0|1,0,2]=4 843 B22R2.135527 CCOc1ccc(cc1C)CNCC(O)c2ccccn2 270004a_100000691469_100012017204 [0,1,0,0,0,0|1,0,2]=4 844 B22R2.135527 CCOc1ccc(cc1C)CNCC(O)c2cccnc2 207a_100020605170_100012017204 [0,1,0,0,0,0|1,0,2]=4 845 B22R2.135527 CCOc1ccc(cc1C)CNCC(O)c2cccnc2 270004a_100020605170_100012017204 [0,1,0,0,0,0|1,0,2]=4 846 B22R2.135527 CCOc1ccc(cc1C)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011308936 [0,1,0,0,0,0|2,0,0]=3 847 B22R2.135527 CCOc1ccc(cc1C)SCC[C@@H](O)c2ccccc2 62a_100011308936_100000729684 [0,1,0,0,0,0|2,0,0]=3 848 B22R2.135527 CCOc1ccc(cc1Cl)C=NNC(=O)c2ccccc2 4a_100000184135_200000188301 [0,1,0,0,0,0|1,0,2]=4 849 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(C)c2ccccc2 207a_100000701038_200000188301 [0,1,0,0,0,0|1,0,2]=4 850 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(C)c2ccccc2 270004a_100000701038_200000188301 [0,1,0,0,0,0|1,0,2]=4 851 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(O)c2ccccc2 207a_100000210709_200000188301 [0,1,0,0,0,0|0,0,2]=3 852 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(O)c2ccccc2 270004a_100000210709_200000188301 [0,1,0,0,0,0|0,0,2]=3 853 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(O)c2ccccn2 207a_100000691469_200000188301 [0,1,0,0,0,0|1,0,2]=4 854 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(O)c2ccccn2 270004a_100000691469_200000188301 [0,1,0,0,0,0|1,0,2]=4 855 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(O)c2cccnc2 207a_100020605170_200000188301 [0,1,0,0,0,0|1,0,2]=4 856 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(O)c2cccnc2 270004a_100020605170_200000188301 [0,1,0,0,0,0|1,0,2]=4 857 B22R2.135527 CCOc1ccc(cc1Cl)COCC(C)c2ccccc2 34a_200011523292_100000756946 [0,1,0,0,0,0|2,0,1]=4 858 B22R2.135527 CCOc1ccc(cc1Cl)COCC(C)c2ccccc2 7a_200011523292_100000756946 [0,1,0,0,0,0|2,0,1]=4 859 B22R2.135527 CCOc1ccc(cc1Cl)COCC(O)c2ccccc2 34a_200011523292_100000185958 [0,1,0,0,0,0|1,0,1]=3 860 B22R2.135527 CCOc1ccc(cc1Cl)COCC(O)c2ccccc2 7a_200011523292_100000185958 [0,1,0,0,0,0|1,0,1]=3 861 B22R2.135527 CCOc1ccc(cc1Cl)COC[C@@H](O)c2ccccc2 34a_200011523292_100011933945 [0,1,0,0,0,0|1,0,1]=3 862 B22R2.135527 CCOc1ccc(cc1Cl)COC[C@@H](O)c2ccccc2 7a_200011523292_100011933945 [0,1,0,0,0,0|1,0,1]=3 863 B22R2.135527 CCOc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 2230a_100000741444_100000729684 [0,1,0,0,0,0|2,0,0]=3 864 B22R2.135527 CCOc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 34a_100000741444_100000729684 [0,1,0,0,0,0|2,0,0]=3 865 B22R2.135527 CCOc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 7a_100000741444_100000729684 [0,1,0,0,0,0|2,0,0]=3 866 B22R2.135527 CCOc1ccc(cc1F)OCC[C@@H](O)c2ccccc2 34a_100012771078_100000729684 [0,1,0,0,0,0|2,0,0]=3 867 B22R2.135527 CCOc1ccc(cc1F)OCC[C@@H](O)c2ccccc2 7a_100012771078_100000729684 [0,1,0,0,0,0|2,0,0]=3 868 B22R2.135527 CCOc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100000729684_200000171753 [0,1,0,0,0,0|2,0,0]=3 869 B22R2.135527 CCOc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_200000171753_100000729684 [0,1,0,0,0,0|2,0,0]=3 870 B22R2.135527 CCOc1ccc(cc1I)C=NNC(=O)c2ccccc2 4a_100000184135_200000123116 [0,1,0,0,0,0|1,0,2]=4 871 B22R2.135527 CCOc1ccc(cc1I)CNCC(C)c2ccccc2 207a_100000701038_200000123116 [0,1,0,0,0,0|1,0,2]=4 872 B22R2.135527 CCOc1ccc(cc1I)CNCC(C)c2ccccc2 269862a_100000701038_200000123116 [0,1,0,0,0,0|1,0,2]=4 873 B22R2.135527 CCOc1ccc(cc1I)CNCC(C)c2ccccc2 270004a_100000701038_200000123116 [0,1,0,0,0,0|1,0,2]=4 874 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2ccccc2 207a_100000210709_200000123116 [0,1,0,0,0,0|0,0,2]=3 875 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2ccccc2 269862a_100000210709_200000123116 [0,1,0,0,0,0|0,0,2]=3 876 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2ccccc2 270004a_100000210709_200000123116 [0,1,0,0,0,0|0,0,2]=3 877 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2ccccn2 207a_100000691469_200000123116 [0,1,0,0,0,0|1,0,2]=4 878 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2ccccn2 269862a_100000691469_200000123116 [0,1,0,0,0,0|1,0,2]=4 879 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2ccccn2 270004a_100000691469_200000123116 [0,1,0,0,0,0|1,0,2]=4 880 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2cccnc2 207a_100020605170_200000123116 [0,1,0,0,0,0|1,0,2]=4 881 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2cccnc2 269862a_100020605170_200000123116 [0,1,0,0,0,0|1,0,2]=4 882 B22R2.135527 CCOc1ccc(cc1I)CNCC(O)c2cccnc2 270004a_100020605170_200000123116 [0,1,0,0,0,0|1,0,2]=4 883 B22R2.135527 CCOc1ccc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100000751366_100000729684 [0,1,0,0,0,0|2,0,0]=3 884 B22R2.135527 CCOc1ncc(cc1C)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012351028 [0,1,0,0,0,0|3,0,0]=4 885 B22R2.135527 CCOc1ncc(cc1C)SCC[C@@H](O)c2ccccc2 62a_100012351028_100000729684 [0,1,0,0,0,0|3,0,0]=4 886 B22R2.135527 CCOc1ncc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011433076 [0,1,0,0,0,0|3,0,0]=4 887 B22R2.135527 CCOc1ncc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100011433076_100000729684 [0,1,0,0,0,0|3,0,0]=4 888 B22R2.136485 CCCc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_100000186164_100000185958 [0,1,0,0,0,0|2,0,1]=4 889 B22R2.136485 CCCc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_100000690199_100011982809 [0,1,0,0,0,0|2,0,1]=4 890 B22R2.136485 CCCc1ccc(cc1)CC(=O)C[C@@H](O)c2ccccc2 1458a_100000186164_100011933945 [0,1,0,0,0,0|2,0,1]=4 891 B22R2.136485 CCCc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000227976_100011982809 [0,1,0,0,0,0|1,0,2]=4 892 B22R2.136485 CCCc1ccc(cc1)CN(C)CC(O)c2ccccc2 269982a_100000227976_100011982809 [0,1,0,0,0,0|1,0,2]=4 893 B22R2.136485 CCCc1ccc(cc1)CN(C)CC(O)c2ccccc2 26a_100000227976_100000749406 [0,1,0,0,0,0|1,0,2]=4 894 B22R2.136485 CCCc1ccc(cc1)CN(C)CC(O)c2ccccc2 270004a_100000227976_100000229940 [0,1,0,0,0,0|1,0,2]=4 895 B22R2.136485 CCCc1ccc(cc1)NC(=O)CC(O)c2ccccc2 22a_100000211780_100000690199 [0,1,0,0,0,0|3,0,0]=4 896 B22R2.136485 CCOc1ccc(cc1)CC(=O)CC(C)c2ccccc2 1458a_100000183096_100000756946 [0,1,0,0,0,0|2,0,1]=4 897 B22R2.136485 CCOc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_100000183096_100000185958 [0,1,0,0,0,0|1,0,1]=3 898 B22R2.136485 CCOc1ccc(cc1)CC(=O)C[C@@H](O)c2ccccc2 1458a_100000183096_100011933945 [0,1,0,0,0,0|1,0,1]=3 899 B22R2.136485 CCOc1ccc(cc1)CN(C)CC(C)c2ccccc2 2230a_100000180828_100000756946 [0,1,0,0,0,0|1,0,2]=4 900 B22R2.136485 CCOc1ccc(cc1)CN(C)CC(C)c2ccccc2 269982a_100000180828_100000756946 [0,1,0,0,0,0|1,0,2]=4 901 B22R2.136485 CCOc1ccc(cc1)CN(C)CC(C)c2ccccc2 270004a_100000180828_100000212034 [0,1,0,0,0,0|1,0,2]=4 902 B22R2.136485 CCOc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000180828_100000185958 [0,1,0,0,0,0|0,0,2]=3 903 B22R2.136485 CCOc1ccc(cc1)CN(C)CC(O)c2ccccc2 270004a_100000227976_100000169836 [0,1,0,0,0,0|0,0,2]=3 904 B22R2.136485 CCOc1ccc(cc1)CN(C)C[C@@H](O)c2ccccc2 2230a_100000180828_100011933945 [0,1,0,0,0,0|0,0,2]=3 905 B22R2.136485 CCOc1ccc(cc1)NC(=O)CC(C)c2ccccc2 11a_100000739623_100000183687 [0,1,0,0,0,0|3,0,0]=4 906 B22R2.136485 CCOc1ccc(cc1)NC(=O)CC(C)c2ccccc2 1626a_100000739623_100000183687 [0,1,0,0,0,0|3,0,0]=4 907 B22R2.136485 CCOc1ccc(cc1)NC(=O)CC(C)c2ccccc2 22a_100000739623_100000183687 [0,1,0,0,0,0|3,0,0]=4 908 B22R2.136485 CCOc1ccc(cc1)NC(=O)CC(C)c2ccccc2 527a_100000739623_100000183687 [0,1,0,0,0,0|3,0,0]=4 909 B22R2.136485 CCOc1ccc(cc1)NC(=O)CC(O)c2ccccc2 22a_100000739623_100000690199 [0,1,0,0,0,0|2,0,0]=3 910 B22R2.136485 CCOc1ccc(cn1)CN(C)CC(O)c2ccccc2 270004a_100000227976_100012002837 [0,1,0,0,0,0|1,0,2]=4 911 B22R2.136485 CCSc1ccc(cc1)NC(=O)CC(O)c2ccccc2 22a_100015187087_100000690199 [0,1,0,0,0,0|2,1,0]=4 912 B22R2.392223 CCCc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_200010686677 [0,1,0,0,0,0|3,0,0]=4 913 B22R2.392223 CCCc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_200010686677_100000729684 [0,1,0,0,0,0|3,0,0]=4 914 B22R2.392223 CCNc1ccc(c(c1)C)SCC[C@@H](O)c2ccccc2 62a_100000729684_100015183089 [0,1,0,0,0,0|3,0,0]=4 915 B22R2.392223 CCNc1ccc(c(c1)C)SCC[C@@H](O)c2ccccc2 62a_100015183089_100000729684 [0,1,0,0,0,0|3,0,0]=4 916 B22R2.392223 CCOc1cc(c(cn1)SCC[C@@H](O)c2ccccc2)C 62a_100000729684_200012351029 [0,1,0,0,0,0|3,0,0]=4 917 B22R2.392223 CCOc1cc(c(cn1)SCC[C@@H](O)c2ccccc2)C 62a_200012351029_100000729684 [0,1,0,0,0,0|3,0,0]=4 918 B22R2.392223 CCOc1ccc(c(c1)Br)C=NNC(=O)c2ccccc2 4a_100000184135_200012721597 [0,1,0,0,0,0|1,0,2]=4 919 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(C)c2ccccc2 207a_100000701038_200012721597 [0,1,0,0,0,0|1,0,2]=4 920 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(C)c2ccccc2 270004a_100000701038_200012721597 [0,1,0,0,0,0|1,0,2]=4 921 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccc2 207a_100000210709_200012721597 [0,1,0,0,0,0|0,0,2]=3 922 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccc2 270004a_100000210709_200012721597 [0,1,0,0,0,0|0,0,2]=3 923 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccn2 207a_100000691469_200012721597 [0,1,0,0,0,0|1,0,2]=4 924 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccn2 270004a_100000691469_200012721597 [0,1,0,0,0,0|1,0,2]=4 925 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(O)c2cccnc2 207a_100020605170_200012721597 [0,1,0,0,0,0|1,0,2]=4 926 B22R2.392223 CCOc1ccc(c(c1)Br)CNCC(O)c2cccnc2 270004a_100020605170_200012721597 [0,1,0,0,0,0|1,0,2]=4 927 B22R2.392223 CCOc1ccc(c(c1)C)C=NNC(=O)c2ccccc2 4a_100000184135_100011361535 [0,1,0,0,0,0|1,0,2]=4 928 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(C)c2ccccc2 207a_100000701038_100011361535 [0,1,0,0,0,0|1,0,2]=4 929 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(C)c2ccccc2 270004a_100000701038_100011361535 [0,1,0,0,0,0|1,0,2]=4 930 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(O)c2ccccc2 207a_100000210709_100011361535 [0,1,0,0,0,0|0,0,2]=3 931 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(O)c2ccccc2 270004a_100000210709_100011361535 [0,1,0,0,0,0|0,0,2]=3 932 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(O)c2ccccn2 207a_100000691469_100011361535 [0,1,0,0,0,0|1,0,2]=4 933 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(O)c2ccccn2 270004a_100000691469_100011361535 [0,1,0,0,0,0|1,0,2]=4 934 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(O)c2cccnc2 207a_100020605170_100011361535 [0,1,0,0,0,0|1,0,2]=4 935 B22R2.392223 CCOc1ccc(c(c1)C)CNCC(O)c2cccnc2 270004a_100020605170_100011361535 [0,1,0,0,0,0|1,0,2]=4 936 B22R2.392223 CCOc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 2230a_100000742753_100000729684 [0,1,0,0,0,0|2,0,0]=3 937 B22R2.392223 CCOc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 34a_100000742753_100000729684 [0,1,0,0,0,0|2,0,0]=3 938 B22R2.392223 CCOc1ccc(c(c1)C)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012344538 [0,1,0,0,0,0|2,0,0]=3 939 B22R2.392223 CCOc1ccc(c(c1)F)CNCC(C)c2ccccc2 2230a_100000701038_200016184943 [0,1,0,0,0,0|1,0,2]=4 940 B22R2.392223 CCOc1ccc(c(c1)F)CNCC(C)c2ccccc2 34a_100000701038_200016184943 [0,1,0,0,0,0|1,0,2]=4 941 B22R2.392223 CCOc1ccc(c(c1)F)CNCC(O)c2ccccc2 2230a_100000210709_200016184943 [0,1,0,0,0,0|0,0,2]=3 942 B22R2.392223 CCOc1ccc(c(c1)F)CNCC(O)c2ccccn2 2230a_100000691469_200016184943 [0,1,0,0,0,0|1,0,2]=4 943 B22R2.392223 CCOc1ccc(c(c1)F)CNCC(O)c2cccnc2 2230a_100020605170_200016184943 [0,1,0,0,0,0|1,0,2]=4 944 B22R2.392223 CCOc1ccc(c(c1)F)COCC(C)c2ccccc2 34a_100011215166_200016184943 [0,1,0,0,0,0|2,0,1]=4 945 B22R2.392223 CCOc1ccc(c(c1)F)COCC(C)c2ccccc2 34a_200015831911_100000756946 [0,1,0,0,0,0|2,0,1]=4 946 B22R2.392223 CCOc1ccc(c(c1)F)COCC(C)c2ccccc2 7a_100011215166_200016184943 [0,1,0,0,0,0|2,0,1]=4 947 B22R2.392223 CCOc1ccc(c(c1)F)COCC(C)c2ccccc2 7a_200015831911_100000756946 [0,1,0,0,0,0|2,0,1]=4 948 B22R2.392223 CCOc1ccc(c(c1)F)COCC(O)c2ccccc2 34a_200015831911_100000185958 [0,1,0,0,0,0|1,0,1]=3 949 B22R2.392223 CCOc1ccc(c(c1)F)COCC(O)c2ccccc2 7a_200015831911_100000185958 [0,1,0,0,0,0|1,0,1]=3 950 B22R2.392223 CCOc1ccc(c(c1)F)COC[C@@H](N)c2ccccc2 34a_100000751927_200016184943 [0,1,0,0,0,0|2,0,1]=4 951 B22R2.392223 CCOc1ccc(c(c1)F)COC[C@@H](O)c2ccccc2 34a_200015831911_100011933945 [0,1,0,0,0,0|1,0,1]=3 952 B22R2.392223 CCOc1ccc(c(c1)F)COC[C@@H](O)c2ccccc2 7a_200015831911_100011933945 [0,1,0,0,0,0|1,0,1]=3 953 B22R2.392223 CCOc1ccc(c(c1)F)CSCC(C)c2ccccc2 62a_100000756946_200016184943 [0,1,0,0,0,0|2,0,1]=4 954 B22R2.392223 CCOc1ccc(c(c1)F)CSCC(C)c2ccccc2 62a_200016184943_100000756946 [0,1,0,0,0,0|2,0,1]=4 955 B22R2.392223 CCOc1ccc(c(c1)F)CSCC(O)c2ccccc2 62a_100000185958_200016184943 [0,1,0,0,0,0|1,0,1]=3 956 B22R2.392223 CCOc1ccc(c(c1)F)CSCC(O)c2ccccc2 62a_200016184943_100000185958 [0,1,0,0,0,0|1,0,1]=3 957 B22R2.392223 CCOc1ccc(c(c1)F)CSC[C@@H](O)c2ccccc2 62a_100011933945_200016184943 [0,1,0,0,0,0|1,0,1]=3 958 B22R2.392223 CCOc1ccc(c(c1)F)CSC[C@@H](O)c2ccccc2 62a_200016184943_100011933945 [0,1,0,0,0,0|1,0,1]=3 959 B22R2.392223 CCOc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 2230a_100015186438_100000729684 [0,1,0,0,0,0|2,0,0]=3 960 B22R2.392223 CCOc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 34a_100015186438_100000729684 [0,1,0,0,0,0|2,0,0]=3 961 B22R2.392223 CCOc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000692347_100000729684 [0,1,0,0,0,0|2,0,0]=3 962 B22R2.392223 CCOc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000692347 [0,1,0,0,0,0|2,0,0]=3 963 B22R2.392223 CCOc1ccc(c(c1)O)C=NNC(=O)c2ccccc2 4a_100000184135_100000010015 [0,1,0,0,0,0|1,0,2]=4 964 B22R3.33 CCCc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100011219993_100000729704 [0,0,0,1,0,0|1,0,2]=4 965 B22R3.33 CCNc1ccc(cc1)c2nnc(o2)c3ccccc3 27a_100015525214_100000591537 [0,0,0,1,0,0|2,0,1]=4 966 B22R3.33 CCOc1ccc(cc1)c2cnc(o2)c3ccccc3 271570a_100011215908_100009814072 [0,0,0,1,0,0|2,0,1]=4 967 B22R3.33 CCOc1ccc(cc1)c2n[nH]c(n2)c3ccccc3 271570a_100011215908_100010173362 [0,0,0,1,0,0|2,0,1]=4 968 B22R3.33 CCOc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100011215908_100000729704 [0,0,0,1,0,0|0,0,2]=3 969 B22R3.33 CCOc1ccc(cc1)c2ncc(s2)c3ccccc3 271570a_100011215908_100000685549 [0,0,0,1,0,0|0,1,2]=4 970 B22R3.33 CCOc1ccc(cc1)c2nnc(s2)c3ccccc3 271570a_100011215908_100000694505 [0,0,0,1,0,0|1,1,1]=4 971 B22R3.33 CCOc1ccc(cc1)c2noc(n2)c3ccccc3 270196a_100000170012_100000185807 [0,0,0,1,0,0|2,0,1]=4 972 B22R3.33 CCOc1ccc(cc1)c2noc(n2)c3ccccc3 271570a_100011215908_200000701163 [0,0,0,1,0,0|2,0,1]=4 973 B22R3.33 CCOc1ccc(cn1)c2ncc(o2)c3ccccc3 271570a_100000047076_100000729704 [0,0,0,1,0,0|1,0,2]=4 974 B22R3.33 CCSc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_200000034721_100000729704 [0,0,0,1,0,0|0,1,2]=4 975 B22R3.33 CCSc1ccc(cc1)c2nnc(o2)c3ccccc3 62a_100000210202_100000591537 [0,0,0,1,0,0|1,1,1]=4 976 B22R3.33 CCSc1ccc(cc1)c2nnc(o2)c3ccccc3 62a_100000591537_100000210202 [0,0,0,1,0,0|1,1,1]=4 977 B22R3.3267 CCOc1ccc(cc1)CN[C@H]2C[C@@H]2c3ccccc3 207a_100020588832_100000169836 [0,0,0,1,0,0|1,0,2]=4 978 B22R3.789433 CC(CNCc1ccc2c(c1)CCO2)c3ccccc3 207a_100000701038_100011218456 [0,0,0,1,0,0|1,0,2]=4 979 B22R3.789433 CC(CNCc1ccc2c(c1)CCO2)c3ccccc3 2230a_100011219410_100000756946 [0,0,0,1,0,0|1,0,2]=4 980 B22R3.789433 CC(CNCc1ccc2c(c1)CCO2)c3ccccc3 270004a_100000701038_100011218456 [0,0,0,1,0,0|1,0,2]=4 981 B22R3.789433 CC(CNCc1ccc2c(c1)CCO2)c3ccccc3 270004a_100011219410_100000212034 [0,0,0,1,0,0|1,0,2]=4 982 B22R3.789433 CC(CNCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219410_100000756946 [0,0,0,1,0,0|1,0,2]=4 983 B22R3.789433 CC(COCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219353_100000756946 [0,0,0,1,0,0|2,0,1]=4 984 B22R3.789433 CC(COCc1ccc2c(c1)CCO2)c3ccccc3 7a_100011219353_100000756946 [0,0,0,1,0,0|2,0,1]=4 985 B22R3.789433 O=C(NN=Cc1ccc2c(c1)CCO2)c3ccccc3 4a_100000184135_100011218456 [0,0,0,1,0,0|1,0,2]=4 986 B22R3.789433 OC(CNCc1ccc2c(c1)CCC2)c3ccccc3 207a_100000210709_100000765347 [0,0,0,1,0,0|1,0,2]=4 987 B22R3.789433 OC(CNCc1ccc2c(c1)CCC2)c3ccccc3 270004a_100000210709_100000765347 [0,0,0,1,0,0|1,0,2]=4 988 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3 207a_100000210709_100011218456 [0,0,0,1,0,0|0,0,2]=3 989 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3 2230a_100011219410_100000185958 [0,0,0,1,0,0|0,0,2]=3 990 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3 270004a_100000210709_100011218456 [0,0,0,1,0,0|0,0,2]=3 991 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219410_100000185958 [0,0,0,1,0,0|0,0,2]=3 992 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3ccccn3 207a_100000691469_100011218456 [0,0,0,1,0,0|1,0,2]=4 993 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3ccccn3 270004a_100000691469_100011218456 [0,0,0,1,0,0|1,0,2]=4 994 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3cccnc3 207a_100020605170_100011218456 [0,0,0,1,0,0|1,0,2]=4 995 B22R3.789433 OC(CNCc1ccc2c(c1)CCO2)c3cccnc3 270004a_100020605170_100011218456 [0,0,0,1,0,0|1,0,2]=4 996 B22R3.789433 OC(CNCc1ccc2c(c1)OCO2)c3ccccc3 2230a_100000210006_100000185958 [0,0,0,1,0,0|1,0,2]=4 997 B22R3.789433 OC(CNCc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210006_100000185958 [0,0,0,1,0,0|1,0,2]=4 998 B22R3.789433 OC(COCc1ccc2c(c1)CCC2)c3ccccc3 34a_200000765175_100000185958 [0,0,0,1,0,0|2,0,1]=4 999 B22R3.789433 OC(COCc1ccc2c(c1)CCC2)c3ccccc3 7a_200000765175_100000185958 [0,0,0,1,0,0|2,0,1]=4 1000 B22R3.789433 OC(COCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219353_100000185958 [0,0,0,1,0,0|1,0,1]=3 1001 B22R3.789433 OC(COCc1ccc2c(c1)CCO2)c3ccccc3 7a_100011219353_100000185958 [0,0,0,1,0,0|1,0,1]=3 1002 B22R3.789433 OC(COCc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210967_100000185958 [0,0,0,1,0,0|2,0,1]=4 1003 B22R3.789433 O[C@H](CCNc1ccc2c(c1)CCC2)c3ccccc3 2230a_100000211504_100000729684 [0,0,0,1,0,0|3,0,0]=4 1004 B22R3.789433 O[C@H](CCNc1ccc2c(c1)CCC2)c3ccccc3 34a_100000211504_100000729684 [0,0,0,1,0,0|3,0,0]=4 1005 B22R3.789433 O[C@H](CCNc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000736984_100000729684 [0,0,0,1,0,0|2,0,0]=3 1006 B22R3.789433 O[C@H](CCNc1ccc2c(c1)CCO2)c3ccccc3 34a_100000736984_100000729684 [0,0,0,1,0,0|2,0,0]=3 1007 B22R3.789433 O[C@H](CCNc1ccc2c(c1)OCO2)c3ccccc3 2230a_100000209953_100000729684 [0,0,0,1,0,0|3,0,0]=4 1008 B22R3.789433 O[C@H](CCNc1ccc2c(c1)OCO2)c3ccccc3 34a_100000209953_100000729684 [0,0,0,1,0,0|3,0,0]=4 1009 B22R3.789433 O[C@H](CCOc1ccc2c(c1)CCC2)c3ccccc3 34a_100000209987_100000729684 [0,0,0,1,0,0|3,0,0]=4 1010 B22R3.789433 O[C@H](CCOc1ccc2c(c1)CCC2)c3ccccc3 7a_100000209987_100000729684 [0,0,0,1,0,0|3,0,0]=4 1011 B22R3.789433 O[C@H](CCOc1ccc2c(c1)CCN2)c3ccccc3 34a_100020636429_100000729684 [0,0,0,1,0,0|3,0,0]=4 1012 B22R3.789433 O[C@H](CCOc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210298_100000729684 [0,0,0,1,0,0|3,0,0]=4 1013 B22R3.789433 O[C@H](CCSc1cc2c(cn1)OCC2)c3ccccc3 62a_100000729684_102495363667 [0,0,0,1,0,0|3,0,0]=4 1014 B22R3.789433 O[C@H](CCSc1cc2c(cn1)OCC2)c3ccccc3 62a_102495363667_100000729684 [0,0,0,1,0,0|3,0,0]=4 1015 B22R3.789433 O[C@H](CCSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000729684_100000745594 [0,0,0,1,0,0|3,0,0]=4 1016 B22R3.789433 O[C@H](CCSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000745594_100000729684 [0,0,0,1,0,0|3,0,0]=4 1017 B22R3.789433 O[C@H](CCSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000691068_100000729684 [0,0,0,1,0,0|3,0,0]=4 1018 B22R3.789433 O[C@H](CCSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000729684_100000691068 [0,0,0,1,0,0|3,0,0]=4 1019 B22R3.789433 O[C@H](CCSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729065_100000729684 [0,0,0,1,0,0|2,0,0]=3 1020 B22R3.789433 O[C@H](CCSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729684_100000729065 [0,0,0,1,0,0|2,0,0]=3 1021 B22R3.789433 O[C@H](CNCc1ccc2c(c1)CCO2)c3ccccc3 2230a_100011219410_100011933945 [0,0,0,1,0,0|0,0,2]=3 1022 B22R3.789433 O[C@H](CNCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219410_100011933945 [0,0,0,1,0,0|0,0,2]=3 1023 B22R3.789433 O[C@H](CNCc1ccc2c(c1)OCO2)c3ccccc3 2230a_100000210006_100011933945 [0,0,0,1,0,0|1,0,2]=4 1024 B22R3.789433 O[C@H](CNCc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210006_100011933945 [0,0,0,1,0,0|1,0,2]=4 1025 B22R3.789433 O[C@H](COCc1ccc2c(c1)CCC2)c3ccccc3 34a_200000765175_100011933945 [0,0,0,1,0,0|2,0,1]=4 1026 B22R3.789433 O[C@H](COCc1ccc2c(c1)CCC2)c3ccccc3 7a_200000765175_100011933945 [0,0,0,1,0,0|2,0,1]=4 1027 B22R3.789433 O[C@H](COCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219353_100011933945 [0,0,0,1,0,0|1,0,1]=3 1028 B22R3.789433 O[C@H](COCc1ccc2c(c1)CCO2)c3ccccc3 7a_100011219353_100011933945 [0,0,0,1,0,0|1,0,1]=3 1029 B22R3.789433 O[C@H](COCc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210967_100011933945 [0,0,0,1,0,0|2,0,1]=4 1030 B22R3.790587 OC(CNCc1ccc(cc1)C2CC2)c3ccccc3 207a_100000210709_100011263248 [0,0,0,1,0,0|1,0,2]=4 1031 B22R3.790587 OC(CNCc1ccc(cc1)C2CC2)c3ccccc3 2230a_100025706670_100000185958 [0,0,0,1,0,0|1,0,2]=4 1032 B22R3.790587 OC(CNCc1ccc(cc1)C2CC2)c3ccccc3 270004a_100000210709_100011263248 [0,0,0,1,0,0|1,0,2]=4 1033 B22R3.790587 OC(CNCc1ccc(cc1)C2CC2)c3ccccc3 34a_100025706670_100000185958 [0,0,0,1,0,0|1,0,2]=4 1034 B22R3.790587 OC(COCc1ccc(cc1)C2CC2)c3ccccc3 34a_100011258775_100000185958 [0,0,0,1,0,0|2,0,1]=4 1035 B22R3.790587 OC(COCc1ccc(cc1)C2CC2)c3ccccc3 7a_100011258775_100000185958 [0,0,0,1,0,0|2,0,1]=4 1036 B22R3.790587 O[C@H](CCNc1ccc(cc1)C2CC2)c3ccccc3 34a_100016991203_100000729684 [0,0,0,1,0,0|3,0,0]=4 1037 B22R3.790587 O[C@H](CCOc1ccc(cc1)C2CC2)c3ccccc3 34a_100011997980_100000729684 [0,0,0,1,0,0|3,0,0]=4 1038 B22R3.790587 O[C@H](CCOc1ccc(cc1)C2CC2)c3ccccc3 7a_100011997980_100000729684 [0,0,0,1,0,0|3,0,0]=4 1039 B22R3.790587 O[C@H](CCSc1ccc(cc1)C2CC2)c3ccccc3 62a_100000729684_100009820665 [0,0,0,1,0,0|3,0,0]=4 1040 B22R3.790587 O[C@H](CNCc1ccc(cc1)C2CC2)c3ccccc3 2230a_100025706670_100011933945 [0,0,0,1,0,0|1,0,2]=4 1041 B22R3.790587 O[C@H](CNCc1ccc(cc1)C2CC2)c3ccccc3 34a_100025706670_100011933945 [0,0,0,1,0,0|1,0,2]=4 1042 B22R3.790587 O[C@H](COCc1ccc(cc1)C2CC2)c3ccccc3 34a_100011258775_100011933945 [0,0,0,1,0,0|2,0,1]=4 1043 B22R3.790587 O[C@H](COCc1ccc(cc1)C2CC2)c3ccccc3 7a_100011258775_100011933945 [0,0,0,1,0,0|2,0,1]=4 1044 B22R3.2885010 CCCc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100011219993_100000067196 [0,0,0,1,0,0|1,0,2]=4 1045 B22R3.2885010 CCOc1ccc(cc1)c2ccc(c3c2cccc3)O 271570a_100010390994_100000169946 [0,0,0,1,0,0|1,0,2]=4 1046 B22R3.2885010 CCOc1ccc(cc1)c2ccc(c3c2cccc3)O 271570a_100011215908_100000186334 [0,0,0,1,0,0|1,0,2]=4 1047 B22R3.2885010 CCOc1ccc(cc1)c2cnc(c3c2cccc3)O 271570a_100011215908_100009816523 [0,0,0,1,0,0|2,0,1]=4 1048 B22R3.2885010 CCOc1ccc(cc1)c2n[nH]c(=O)c3c2cccc3 271570a_100011215908_100010235092 [0,0,0,1,0,0|1,0,2]=4 1049 B22R3.2885010 CCOc1ccc(cc1)c2ncc(c3c2cccc3)C 271570a_100011215908_100000112005 [0,0,0,1,0,0|1,0,2]=4 1050 B22R3.2885010 CCOc1ccc(cc1)c2ncc(c3c2cccc3)N 271570a_100011215908_200009868590 [0,0,0,1,0,0|1,0,2]=4 1051 B22R3.2885010 CCOc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100011215908_100000067196 [0,0,0,1,0,0|0,0,2]=3 1052 B22R3.2885010 CCOc1ccc(cc1)c2nnc(c3c2cccc3)C 271570a_100011215908_100000189618 [0,0,0,1,0,0|2,0,1]=4 1053 B22R3.2885010 CCOc1ccc(cn1)c2ncc(c3c2cccc3)O 271570a_100000047076_100000067196 [0,0,0,1,0,0|1,0,2]=4 1054 B22R3.2885010 CCSc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_200000034721_100000067196 [0,0,0,1,0,0|0,1,2]=4 1055 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccco2 207a_100000738650_100000169836 [0,0,0,0,1,0|1,0,2]=4 1056 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccco2 270004a_100000738650_100000169836 [0,0,0,0,1,0|1,0,2]=4 1057 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccsc2 207a_100000758718_100000169836 [0,0,0,0,1,0|1,0,2]=4 1058 B20R2.2544 CCOc1ccc(cc1)CNCC(O)c2ccsc2 270004a_100000758718_100000169836 [0,0,0,0,1,0|1,0,2]=4 1059 B20R2.4560 C/C=C/c1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100016259036 [0,0,0,0,1,0|2,0,1]=4 1060 B20R2.4560 C/C=C/c1ccc(cc1)SCC(O)c2ccccc2 62a_100016259036_100000185958 [0,0,0,0,1,0|2,0,1]=4 1061 B20R2.4560 C/C=C/c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100016259036 [0,0,0,0,1,0|2,0,1]=4 1062 B20R2.4560 C/C=C/c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100016259036_100011933945 [0,0,0,0,1,0|2,0,1]=4 1063 B20R2.4560 C=COc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000704263 [0,0,0,0,1,0|1,0,2]=4 1064 B20R2.4560 C=COc1ccc(cc1)SCC(O)c2ccccc2 62a_100000704263_100000185958 [0,0,0,0,1,0|1,0,2]=4 1065 B20R2.4560 C=COc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000704263_100011933945 [0,0,0,0,1,0|1,0,2]=4 1066 B20R2.4560 C=COc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000704263 [0,0,0,0,1,0|1,0,2]=4 1067 B20R2.4560 CCCc1ccc(cc1)NCC(C)c2ccccc2 2230a_100000211780_100000756946 [0,0,0,0,1,0|2,0,1]=4 1068 B20R2.4560 CCCc1ccc(cc1)NCC(C)c2ccccc2 34a_100000211780_100000756946 [0,0,0,0,1,0|2,0,1]=4 1069 B20R2.4560 CCCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000211780_100000185958 [0,0,0,0,1,0|1,0,1]=3 1070 B20R2.4560 CCCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000211780_100000185958 [0,0,0,0,1,0|1,0,1]=3 1071 B20R2.4560 CCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000211780_100011933945 [0,0,0,0,1,0|1,0,1]=3 1072 B20R2.4560 CCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000211780_100011933945 [0,0,0,0,1,0|1,0,1]=3 1073 B20R2.4560 CCCc1ccc(cc1)OCC(C)c2ccccc2 34a_100000749406_100000756946 [0,0,0,0,1,0|3,0,0]=4 1074 B20R2.4560 CCCc1ccc(cc1)OCC(C)c2ccccc2 7a_100000749406_100000756946 [0,0,0,0,1,0|3,0,0]=4 1075 B20R2.4560 CCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000749406_100000185958 [0,0,0,0,1,0|2,0,0]=3 1076 B20R2.4560 CCCc1ccc(cc1)OCC(O)c2ccccc2 7a_100000749406_100000185958 [0,0,0,0,1,0|2,0,0]=3 1077 B20R2.4560 CCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000749406_100011933945 [0,0,0,0,1,0|2,0,0]=3 1078 B20R2.4560 CCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000749406_100011933945 [0,0,0,0,1,0|2,0,0]=3 1079 B20R2.4560 CCCc1ccc(cc1)SCC(C)c2ccccc2 62a_100000750032_100000756946 [0,0,0,0,1,0|3,0,0]=4 1080 B20R2.4560 CCCc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000750032 [0,0,0,0,1,0|3,0,0]=4 1081 B20R2.4560 CCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000750032 [0,0,0,0,1,0|2,0,0]=3 1082 B20R2.4560 CCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000750032_100000185958 [0,0,0,0,1,0|2,0,0]=3 1083 B20R2.4560 CCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000750032_100011933945 [0,0,0,0,1,0|2,0,0]=3 1084 B20R2.4560 CCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000750032 [0,0,0,0,1,0|2,0,0]=3 1085 B20R2.4560 CCNc1ccc(cc1)OCC(C)c2ccccc2 34a_100011337800_100000756946 [0,0,0,0,1,0|3,0,0]=4 1086 B20R2.4560 CCNc1ccc(cc1)OCC(C)c2ccccc2 7a_100011337800_100000756946 [0,0,0,0,1,0|3,0,0]=4 1087 B20R2.4560 CCNc1ccc(cc1)OCC(O)c2ccccc2 34a_100011337800_100000185958 [0,0,0,0,1,0|2,0,0]=3 1088 B20R2.4560 CCNc1ccc(cc1)OCC(O)c2ccccc2 7a_100011337800_100000185958 [0,0,0,0,1,0|2,0,0]=3 1089 B20R2.4560 CCNc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100011337800_100011933945 [0,0,0,0,1,0|2,0,0]=3 1090 B20R2.4560 CCNc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100011337800_100011933945 [0,0,0,0,1,0|2,0,0]=3 1091 B20R2.4560 CCNc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000219632 [0,0,0,0,1,0|3,0,0]=4 1092 B20R2.4560 CCNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000219632 [0,0,0,0,1,0|2,0,0]=3 1093 B20R2.4560 CCNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000219632 [0,0,0,0,1,0|2,0,0]=3 1094 B20R2.4560 CCNc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000741496 [0,0,0,0,1,0|3,0,0]=4 1095 B20R2.4560 CCNc1ccc(cn1)SCC(O)c2ccccc2 62a_100000741496_100000185958 [0,0,0,0,1,0|3,0,0]=4 1096 B20R2.4560 CCNc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000741496_100011933945 [0,0,0,0,1,0|3,0,0]=4 1097 B20R2.4560 CCNc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000741496 [0,0,0,0,1,0|3,0,0]=4 1098 B20R2.4560 CCOc1ccc(cc1)/C=C/C(=O)c2ccccc2 34a_100020656202_100000210202 [0,0,0,0,1,0|0,0,3]=4 1099 B20R2.4560 CCOc1ccc(cc1)/C=C/C(=O)c2ccccc2 7a_100020656202_100000210202 [0,0,0,0,1,0|0,0,3]=4 1100 B20R2.4560 CCOc1ccc(cc1)CNC(C)c2ccccc2 2230a_100000185588_100000230085 [0,0,0,0,1,0|1,0,2]=4 1101 B20R2.4560 CCOc1ccc(cc1)CNC(C)c2ccccc2 269862a_100000185588_100000185851 [0,0,0,0,1,0|1,0,2]=4 1102 B20R2.4560 CCOc1ccc(cc1)CNC(C)c2ccccc2 34a_100000185588_100000211855 [0,0,0,0,1,0|1,0,2]=4 1103 B20R2.4560 CCOc1ccc(cc1)CN[C@H](C)c2ccccc2 207a_100000751104_100000169836 [0,0,0,0,1,0|1,0,2]=4 1104 B20R2.4560 CCOc1ccc(cc1)CN[C@H](C)c2ccccc2 270004a_100000751104_100000169836 [0,0,0,0,1,0|1,0,2]=4 1105 B20R2.4560 CCOc1ccc(cc1)COC(C)c2ccccc2 34a_100000173027_100000211855 [0,0,0,0,1,0|2,0,1]=4 1106 B20R2.4560 CCOc1ccc(cc1)COC(C)c2ccccc2 7a_100000173027_100000230085 [0,0,0,0,1,0|2,0,1]=4 1107 B20R2.4560 CCOc1ccc(cc1)NCC(C)c2ccccc2 2230a_100000739623_100000756946 [0,0,0,0,1,0|1,0,1]=3 1108 B20R2.4560 CCOc1ccc(cc1)NCC(C)c2ccccc2 34a_100000739623_100000756946 [0,0,0,0,1,0|1,0,1]=3 1109 B20R2.4560 CCOc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000739623_100000185958 [0,0,0,0,1,0|0,0,1]=2 1110 B20R2.4560 CCOc1ccc(cc1)NCC(O)c2ccccc2 34a_100000739623_100000185958 [0,0,0,0,1,0|0,0,1]=2 1111 B20R2.4560 CCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000739623_100011933945 [0,0,0,0,1,0|0,0,1]=2 1112 B20R2.4560 CCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000739623_100011933945 [0,0,0,0,1,0|0,0,1]=2 1113 B20R2.4560 CCOc1ccc(cc1)NN=C(C)c2ccccc2 4a_100000738955_100000185851 [0,0,0,0,1,0|2,0,1]=4 1114 B20R2.4560 CCOc1ccc(cc1)OCC(C)c2ccccc2 34a_100000185467_100000756946 [0,0,0,0,1,0|2,0,0]=3 1115 B20R2.4560 CCOc1ccc(cc1)OCC(O)c2ccccc2 34a_100000185467_100000185958 [0,0,0,0,1,0|1,0,0]=2 1116 B20R2.4560 CCOc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000185467_100011933945 [0,0,0,0,1,0|1,0,0]=2 1117 B20R2.4560 CCOc1ccc(cc1)SCC(=O)c2ccccc2 62a_100000211460_100000171712 [0,0,0,0,1,0|1,0,2]=4 1118 B20R2.4560 CCOc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000171712 [0,0,0,0,1,0|2,0,0]=3 1119 B20R2.4560 CCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000171712 [0,0,0,0,1,0|1,0,0]=2 1120 B20R2.4560 CCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000171712 [0,0,0,0,1,0|1,0,0]=2 1121 B20R2.4560 CCOc1ccc(cn1)SCC(C)c2ccccc2 62a_100000756946_100011219444 [0,0,0,0,1,0|3,0,0]=4 1122 B20R2.4560 CCOc1ccc(cn1)SCC(C)c2ccccc2 62a_100011219444_100000756946 [0,0,0,0,1,0|3,0,0]=4 1123 B20R2.4560 CCOc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100011219444 [0,0,0,0,1,0|2,0,0]=3 1124 B20R2.4560 CCOc1ccc(cn1)SCC(O)c2ccccc2 62a_100011219444_100000185958 [0,0,0,0,1,0|2,0,0]=3 1125 B20R2.4560 CCOc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011219444_100011933945 [0,0,0,0,1,0|2,0,0]=3 1126 B20R2.4560 CCOc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011219444 [0,0,0,0,1,0|2,0,0]=3 1127 B20R2.4560 CCOc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_100000753957 [0,0,0,0,1,0|3,0,0]=4 1128 B20R2.4560 CCOc1ccc(nc1)SCC(C)c2ccccc2 62a_100012355646_100000756946 [0,0,0,0,1,0|3,0,0]=4 1129 B20R2.4560 CCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000753957 [0,0,0,0,1,0|2,0,0]=3 1130 B20R2.4560 CCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100012355646_100000185958 [0,0,0,0,1,0|2,0,0]=3 1131 B20R2.4560 CCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000753957 [0,0,0,0,1,0|2,0,0]=3 1132 B20R2.4560 CCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100012355646_100011933945 [0,0,0,0,1,0|2,0,0]=3 1133 B20R2.4560 CCOc1ccc(nn1)NCC(O)c2ccccc2 27a_100000210709_100000757289 [0,0,0,0,1,0|2,0,1]=4 1134 B20R2.4560 CCOc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000757289 [0,0,0,0,1,0|3,0,0]=4 1135 B20R2.4560 CCOc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000757289 [0,0,0,0,1,0|3,0,0]=4 1136 B20R2.4560 CCOc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_200012356188 [0,0,0,0,1,0|3,0,0]=4 1137 B20R2.4560 CCOc1cnc(cn1)SCC(O)c2ccccc2 62a_200012356188_100000185958 [0,0,0,0,1,0|3,0,0]=4 1138 B20R2.4560 CCOc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_200012356188 [0,0,0,0,1,0|3,0,0]=4 1139 B20R2.4560 CCOc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_200012356188_100011933945 [0,0,0,0,1,0|3,0,0]=4 1140 B20R2.4560 CCOc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000099823 [0,0,0,0,1,0|2,0,1]=4 1141 B20R2.4560 CCOc1cnc(nc1)SCC(O)c2ccccc2 62a_100000099823_100000185958 [0,0,0,0,1,0|3,0,0]=4 1142 B20R2.4560 CCOc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000099823 [0,0,0,0,1,0|3,0,0]=4 1143 B20R2.4560 CCOc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000099823_100011933945 [0,0,0,0,1,0|3,0,0]=4 1144 B20R2.4560 CCOc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000099823 [0,0,0,0,1,0|3,0,0]=4 1145 B20R2.4560 CCOc1ncc(cn1)SCC(O)c2ccccc2 62a_100000185958_100011934766 [0,0,0,0,1,0|3,0,0]=4 1146 B20R2.4560 CCOc1ncc(cn1)SCC(O)c2ccccc2 62a_100011934766_100000185958 [0,0,0,0,1,0|3,0,0]=4 1147 B20R2.4560 CCOc1ncc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011934766 [0,0,0,0,1,0|3,0,0]=4 1148 B20R2.4560 CCOc1ncc(cn1)SC[C@@H](O)c2ccccc2 62a_100011934766_100011933945 [0,0,0,0,1,0|3,0,0]=4 1149 B20R2.4560 CCSc1ccc(cc1)NCC(C)c2ccccc2 34a_100015187087_100000756946 [0,0,0,0,1,0|1,1,1]=4 1150 B20R2.4560 CCSc1ccc(cc1)NCC(O)c2ccccc2 34a_100015187087_100000185958 [0,0,0,0,1,0|0,1,1]=3 1151 B20R2.4560 CCSc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100015187087_100011933945 [0,0,0,0,1,0|0,1,1]=3 1152 B20R2.4560 CCSc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_200009811893 [0,0,0,0,1,0|2,1,0]=4 1153 B20R2.4560 CCSc1ccc(cc1)SCC(C)c2ccccc2 62a_200009811893_100000756946 [0,0,0,0,1,0|2,1,0]=4 1154 B20R2.4560 CCSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_200009811893 [0,0,0,0,1,0|1,1,0]=3 1155 B20R2.4560 CCSc1ccc(cc1)SCC(O)c2ccccc2 62a_200009811893_100000185958 [0,0,0,0,1,0|1,1,0]=3 1156 B20R2.4560 CCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_200009811893 [0,0,0,0,1,0|1,1,0]=3 1157 B20R2.4560 CCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_200009811893_100011933945 [0,0,0,0,1,0|1,1,0]=3 1158 B20R2.4560 CCSc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000690189 [0,0,0,0,1,0|2,1,0]=4 1159 B20R2.4560 CCSc1ccc(cn1)SCC(O)c2ccccc2 62a_100000690189_100000185958 [0,0,0,0,1,0|2,1,0]=4 1160 B20R2.4560 CCSc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000690189_100011933945 [0,0,0,0,1,0|2,1,0]=4 1161 B20R2.4560 CCSc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000690189 [0,0,0,0,1,0|2,1,0]=4 1162 B20R2.4560 CNCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000207500_100000185958 [0,0,0,0,1,0|3,0,0]=4 1163 B20R2.4560 CNCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000207500_100011933945 [0,0,0,0,1,0|3,0,0]=4 1164 B20R2.4560 CNCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000180866_100000185958 [0,0,0,0,1,0|3,0,0]=4 1165 B20R2.4560 CNCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000180866 [0,0,0,0,1,0|3,0,0]=4 1166 B20R2.4560 CNCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000180866_100011933945 [0,0,0,0,1,0|3,0,0]=4 1167 B20R2.4560 CNCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000180866 [0,0,0,0,1,0|3,0,0]=4 1168 B20R2.4560 COCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000694113_100000185958 [0,0,0,0,1,0|2,0,1]=4 1169 B20R2.4560 COCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000694113_100011933945 [0,0,0,0,1,0|2,0,1]=4 1170 B20R2.4560 COCc1ccc(cc1)OCC(O)c2ccccc2 34a_200011995677_100000185958 [0,0,0,0,1,0|3,0,0]=4 1171 B20R2.4560 COCc1ccc(cc1)OCC(O)c2ccccc2 7a_200011995677_100000185958 [0,0,0,0,1,0|3,0,0]=4 1172 B20R2.4560 COCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_200011995677_100011933945 [0,0,0,0,1,0|3,0,0]=4 1173 B20R2.4560 COCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_200011995677_100011933945 [0,0,0,0,1,0|3,0,0]=4 1174 B20R2.4560 COCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011493685 [0,0,0,0,1,0|3,0,0]=4 1175 B20R2.4560 COCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011493685_100000185958 [0,0,0,0,1,0|3,0,0]=4 1176 B20R2.4560 COCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011493685_100011933945 [0,0,0,0,1,0|3,0,0]=4 1177 B20R2.4560 COCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011493685 [0,0,0,0,1,0|3,0,0]=4 1178 B20R2.4560 CSCc1ccc(cc1)NCC(O)c2ccccc2 2230a_106726388226_100000185958 [0,0,0,0,1,0|2,0,1]=4 1179 B20R2.4560 CSCc1ccc(cc1)NCC(O)c2ccccc2 34a_106726388226_100000185958 [0,0,0,0,1,0|2,0,1]=4 1180 B20R2.4560 CSCc1ccc(cc1)NCC(O)c2ccccc2 7a_106726388226_100000185958 [0,0,0,0,1,0|2,0,1]=4 1181 B20R2.4560 CSCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_106726388226_100011933945 [0,0,0,0,1,0|2,0,1]=4 1182 B20R2.4560 CSCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_106726388226_100011933945 [0,0,0,0,1,0|2,0,1]=4 1183 B20R2.4560 CSCc1ccc(cc1)NC[C@@H](O)c2ccccc2 7a_106726388226_100011933945 [0,0,0,0,1,0|2,0,1]=4 1184 B20R2.4560 NCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000743037_100000185958 [0,0,0,0,1,0|3,0,0]=4 1185 B20R2.4560 NCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000743037_100011933945 [0,0,0,0,1,0|3,0,0]=4 1186 B20R2.4560 NCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000755846 [0,0,0,0,1,0|3,0,0]=4 1187 B20R2.4560 NCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000755846_100000185958 [0,0,0,0,1,0|3,0,0]=4 1188 B20R2.4560 NCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000755846_100011933945 [0,0,0,0,1,0|3,0,0]=4 1189 B20R2.4560 NCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000755846 [0,0,0,0,1,0|3,0,0]=4 1190 B20R2.4560 OC(COc1ccc(cc1)CCBr)c2ccccc2 34a_100009816426_100000185958 [0,0,0,0,1,0|3,0,0]=4 1191 B20R2.4560 OC(COc1ccc(cc1)CCBr)c2ccccc2 7a_100009816426_100000185958 [0,0,0,0,1,0|3,0,0]=4 1192 B20R2.4560 OCCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100011204434_100000185958 [0,0,0,0,1,0|2,0,1]=4 1193 B20R2.4560 OCCc1ccc(cc1)NCC(O)c2ccccc2 34a_100011204434_100000185958 [0,0,0,0,1,0|2,0,1]=4 1194 B20R2.4560 OCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100011204434_100011933945 [0,0,0,0,1,0|2,0,1]=4 1195 B20R2.4560 OCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011204434_100011933945 [0,0,0,0,1,0|2,0,1]=4 1196 B20R2.4560 OCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100011215338_100000185958 [0,0,0,0,1,0|3,0,0]=4 1197 B20R2.4560 OCCc1ccc(cc1)OCC(O)c2ccccc2 7a_100011215338_100000185958 [0,0,0,0,1,0|3,0,0]=4 1198 B20R2.4560 OCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100011215338_100011933945 [0,0,0,0,1,0|3,0,0]=4 1199 B20R2.4560 OCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100011215338_100011933945 [0,0,0,0,1,0|3,0,0]=4 1200 B20R2.4560 OCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000766406 [0,0,0,0,1,0|3,0,0]=4 1201 B20R2.4560 OCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000766406_100000185958 [0,0,0,0,1,0|3,0,0]=4 1202 B20R2.4560 OCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000766406_100011933945 [0,0,0,0,1,0|3,0,0]=4 1203 B20R2.4560 OCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000766406 [0,0,0,0,1,0|3,0,0]=4 1204 B20R2.4560 O[C@H](COc1ccc(cc1)CCBr)c2ccccc2 34a_100009816426_100011933945 [0,0,0,0,1,0|3,0,0]=4 1205 B20R2.4560 O[C@H](COc1ccc(cc1)CCBr)c2ccccc2 7a_100009816426_100011933945 [0,0,0,0,1,0|3,0,0]=4 1206 B22R2.2482 CCCc1ccc(cc1)CNCCC(O)c2ccccc2 207a_100000763605_100000229940 [0,0,0,0,0,1|1,0,2]=4 1207 B22R2.2482 CCCc1ccc(cc1)CNCCC(O)c2ccccc2 2230a_100000763605_100011982809 [0,0,0,0,0,1|1,0,2]=4 1208 B22R2.2482 CCCc1ccc(cc1)CNCCC(O)c2ccccc2 270004a_100000763605_100000229940 [0,0,0,0,0,1|1,0,2]=4 1209 B22R2.2482 CCCc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 2230a_100020632977_100000729684 [0,0,0,0,0,1|1,0,2]=4 1210 B22R2.2482 CCCc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 34a_100020632977_100000729684 [0,0,0,0,0,1|1,0,2]=4 1211 B22R2.2482 CCCc1ccc(cc1)CSCC[C@@H](O)c2ccccc2 62a_100000729684_100011982809 [0,0,0,0,0,1|2,0,1]=4 1212 B22R2.2482 CCCc1ccc(cc1)CSCC[C@@H](O)c2ccccc2 62a_100011982809_100000729684 [0,0,0,0,0,1|2,0,1]=4 1213 B22R2.2482 CCCc1ccc(cc1)NN=CCC(C)c2ccccc2 4a_100015306804_100000189432 [0,0,0,0,0,1|3,0,0]=4 1214 B22R2.2482 CCOc1ccc(cc1)CCCNC(C)c2ccccc2 2230a_100011236317_100000230085 [0,0,0,0,0,1|2,0,1]=4 1215 B22R2.2482 CCOc1ccc(cc1)CCCNC(C)c2ccccc2 269862a_100011236317_100000185851 [0,0,0,0,0,1|2,0,1]=4 1216 B22R2.2482 CCOc1ccc(cc1)CCCNC(C)c2ccccc2 34a_100011236317_100000211855 [0,0,0,0,0,1|2,0,1]=4 1217 B22R2.2482 CCOc1ccc(cc1)CCNCC(C)c2ccccc2 2230a_100011194255_100000756946 [0,0,0,0,0,1|1,0,2]=4 1218 B22R2.2482 CCOc1ccc(cc1)CCNCC(C)c2ccccc2 270004a_100011194255_100000212034 [0,0,0,0,0,1|1,0,2]=4 1219 B22R2.2482 CCOc1ccc(cc1)CCNCC(C)c2ccccc2 34a_100011194255_100000756946 [0,0,0,0,0,1|1,0,2]=4 1220 B22R2.2482 CCOc1ccc(cc1)CCNCC(O)c2ccccc2 2230a_100011194255_100000185958 [0,0,0,0,0,1|0,0,2]=3 1221 B22R2.2482 CCOc1ccc(cc1)CCNCC(O)c2ccccc2 34a_100011194255_100000185958 [0,0,0,0,0,1|0,0,2]=3 1222 B22R2.2482 CCOc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 2230a_100011194255_100011933945 [0,0,0,0,0,1|0,0,2]=3 1223 B22R2.2482 CCOc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 34a_100011194255_100011933945 [0,0,0,0,0,1|0,0,2]=3 1224 B22R2.2482 CCOc1ccc(cc1)CCOCC(C)c2ccccc2 34a_100011217992_100000756946 [0,0,0,0,0,1|2,0,1]=4 1225 B22R2.2482 CCOc1ccc(cc1)CCOCC(C)c2ccccc2 7a_100011217992_100000756946 [0,0,0,0,0,1|2,0,1]=4 1226 B22R2.2482 CCOc1ccc(cc1)CCOCC(O)c2ccccc2 34a_100011217992_100000185958 [0,0,0,0,0,1|1,0,1]=3 1227 B22R2.2482 CCOc1ccc(cc1)CCOCC(O)c2ccccc2 7a_100011217992_100000185958 [0,0,0,0,0,1|1,0,1]=3 1228 B22R2.2482 CCOc1ccc(cc1)CCOC[C@@H](O)c2ccccc2 34a_100011217992_100011933945 [0,0,0,0,0,1|1,0,1]=3 1229 B22R2.2482 CCOc1ccc(cc1)CCOC[C@@H](O)c2ccccc2 7a_100011217992_100011933945 [0,0,0,0,0,1|1,0,1]=3 1230 B22R2.2482 CCOc1ccc(cc1)CNCCC(C)c2ccccc2 270004a_100000185588_100000189432 [0,0,0,0,0,1|1,0,2]=4 1231 B22R2.2482 CCOc1ccc(cc1)CNCCC(O)c2ccccc2 207a_100000763605_100000169836 [0,0,0,0,0,1|0,0,2]=3 1232 B22R2.2482 CCOc1ccc(cc1)CNCCC(O)c2ccccc2 270004a_100000763605_100000169836 [0,0,0,0,0,1|0,0,2]=3 1233 B22R2.2482 CCOc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 2230a_100000185588_100000729684 [0,0,0,0,0,1|0,0,2]=3 1234 B22R2.2482 CCOc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 34a_100000185588_100000729684 [0,0,0,0,0,1|0,0,2]=3 1235 B22R2.2482 CCOc1ccc(cc1)COCC[C@@H](O)c2ccccc2 34a_100000173027_100000729684 [0,0,0,0,0,1|1,0,1]=3 1236 B22R2.2482 CCOc1ccc(cc1)COCC[C@@H](O)c2ccccc2 7a_100000173027_100000729684 [0,0,0,0,0,1|1,0,1]=3 1237 B22R2.2482 CCOc1ccc(cc1)NN=CCC(C)c2ccccc2 4a_100000738955_100000189432 [0,0,0,0,0,1|2,0,0]=3 1238 B22R2.2482 CCOc1ccc(cc1)OCCN[C@H](C)c2ccccc2 2230a_100000751104_100000183166 [0,0,0,0,0,1|3,0,0]=4 1239 B22R2.2482 CCOc1ccc(cc1)OCCOC(C)c2ccccc2 34a_200011305789_100000211855 [0,0,0,0,0,1|3,0,0]=4 1240 B22R2.2482 CCOc1ccc(cc1)OCCO[C@H](C)c2ccccc2 34a_100000761318_100000183166 [0,0,0,0,0,1|3,0,0]=4 1241 B22R2.2482 CCOc1ccc(cc1)OCCO[C@H](C)c2ccccc2 7a_100000761318_100000183166 [0,0,0,0,0,1|3,0,0]=4 1242 B22R2.2482 CCOc1ccc(cc1)OCCSC(C)c2ccccc2 62a_100000183166_100000230085 [0,0,0,0,0,1|3,0,0]=4 1243 B22R2.2482 CCOc1ccc(cc1)OCCSC(C)c2ccccc2 62a_100000230085_100000183166 [0,0,0,0,0,1|3,0,0]=4 1244 B22R2.2482 CCOc1ccc(cn1)CNCCC(O)c2ccccc2 207a_100000763605_100012002837 [0,0,0,0,0,1|1,0,2]=4 1245 B22R2.2482 CCOc1ccc(cn1)CNCCC(O)c2ccccc2 270004a_100000763605_100012002837 [0,0,0,0,0,1|1,0,2]=4 1246 B22R2.2482 CCOc1ccc(cn1)CNCC[C@@H](O)c2ccccc2 2230a_100102710506_100000729684 [0,0,0,0,0,1|1,0,2]=4 1247 B22R2.2482 CCOc1ccc(nc1)COCC[C@@H](O)c2ccccc2 34a_200012645146_100000729684 [0,0,0,0,0,1|2,0,1]=4 1248 B22R2.2485 CCCc1ccc(cc1)CNCC(O)Cc2ccccc2 207a_100000752270_100000229940 [0,0,0,0,0,1|1,0,2]=4 1249 B22R2.2485 CCCc1ccc(cc1)CNCC(O)Cc2ccccc2 2230a_100000752270_100011982809 [0,0,0,0,0,1|1,0,2]=4 1250 B22R2.2485 CCCc1ccc(cc1)CNCC(O)Cc2ccccc2 270004a_100000752270_100000229940 [0,0,0,0,0,1|1,0,2]=4 1251 B22R2.2485 CCCc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 2230a_100020632977_100000729385 [0,0,0,0,0,1|1,0,2]=4 1252 B22R2.2485 CCCc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 34a_100020632977_100000729385 [0,0,0,0,0,1|1,0,2]=4 1253 B22R2.2485 CCCc1ccc(cc1)CSC[C@@H](O)Cc2ccccc2 62a_100000729385_100011982809 [0,0,0,0,0,1|2,0,1]=4 1254 B22R2.2485 CCCc1ccc(cc1)CSC[C@@H](O)Cc2ccccc2 62a_100011982809_100000729385 [0,0,0,0,0,1|2,0,1]=4 1255 B22R2.2485 CCOc1ccc(cc1)C=NNC(=O)Cc2ccccc2 4a_100000182964_100000169836 [0,0,0,0,0,1|1,0,2]=4 1256 B22R2.2485 CCOc1ccc(cc1)CNCC(C)Oc2ccccc2 207a_100000755676_100000169836 [0,0,0,0,0,1|1,0,2]=4 1257 B22R2.2485 CCOc1ccc(cc1)CNCC(C)Oc2ccccc2 270004a_100000755676_100000169836 [0,0,0,0,0,1|1,0,2]=4 1258 B22R2.2485 CCOc1ccc(cc1)CNCC(O)Cc2ccccc2 207a_100000752270_100000169836 [0,0,0,0,0,1|0,0,2]=3 1259 B22R2.2485 CCOc1ccc(cc1)CNCC(O)Cc2ccccc2 270004a_100000752270_100000169836 [0,0,0,0,0,1|0,0,2]=3 1260 B22R2.2485 CCOc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 2230a_100000185588_100000729385 [0,0,0,0,0,1|0,0,2]=3 1261 B22R2.2485 CCOc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 34a_100000185588_100000729385 [0,0,0,0,0,1|0,0,2]=3 1262 B22R2.2485 CCOc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 34a_100000173027_100000729385 [0,0,0,0,0,1|1,0,1]=3 1263 B22R2.2485 CCOc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 7a_100000173027_100000729385 [0,0,0,0,0,1|1,0,1]=3 1264 B22R2.2485 CCOc1ccc(cn1)CNCC(O)Cc2ccccc2 207a_100000752270_100012002837 [0,0,0,0,0,1|1,0,2]=4 1265 B22R2.2485 CCOc1ccc(cn1)CNCC(O)Cc2ccccc2 270004a_100000752270_100012002837 [0,0,0,0,0,1|1,0,2]=4 1266 B22R2.2485 CCOc1ccc(cn1)CNC[C@@H](O)Cc2ccccc2 2230a_100102710506_100000729385 [0,0,0,0,0,1|1,0,2]=4 1267 B22R2.2485 CCOc1ccc(nc1)COC[C@@H](O)Cc2ccccc2 34a_200012645146_100000729385 [0,0,0,0,0,1|2,0,1]=4 1268 B19R2.57 CCc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000211036 [2,0,0,0,0,0|1,0,0]=3 1269 B19R2.57 CCc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000211036 [2,0,0,0,0,0|2,0,0]=4 1270 B19R2.57 CCc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000211036 [2,0,0,0,0,0|2,0,0]=4 1271 B19R2.57 CCc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000211036 [2,0,0,0,0,0|2,0,0]=4 1272 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000211036 [2,0,0,0,0,0|0,0,2]=4 1273 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 2230a_100000106460_100000747183 [2,0,0,0,0,0|0,0,2]=4 1274 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 2230a_100000721222_100000765856 [2,0,0,0,0,0|0,0,2]=4 1275 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000211036 [2,0,0,0,0,0|0,0,2]=4 1276 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 34a_100000106460_100000747183 [2,0,0,0,0,0|0,0,2]=4 1277 B19R2.57 CCc1ccc(cc1)CNCCc2ccccc2 34a_100000721222_100000765856 [2,0,0,0,0,0|0,0,2]=4 1278 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 34a_100000210268_100000747183 [2,0,0,0,0,0|1,0,1]=4 1279 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 34a_100000702245_100000765856 [2,0,0,0,0,0|1,0,1]=4 1280 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 7a_100000210268_100000747183 [2,0,0,0,0,0|1,0,1]=4 1281 B19R2.57 CCc1ccc(cc1)COCCc2ccccc2 7a_100000702245_100000765856 [2,0,0,0,0,0|1,0,1]=4 1282 B19R2.57 CCc1ccc(cc1)CSCCc2ccccc2 62a_100000757233_100011218657 [2,0,0,0,0,0|1,0,1]=4 1283 B19R2.57 CCc1ccc(cc1)CSCCc2ccccc2 62a_100000765856_100000747183 [2,0,0,0,0,0|1,0,1]=4 1284 B19R2.57 CCc1ccc(cc1)NCCCc2ccccc2 2230a_100000211069_100000211621 [2,0,0,0,0,0|2,0,0]=4 1285 B19R2.57 CCc1ccc(cc1)NCCCc2ccccc2 34a_100000211069_100000211621 [2,0,0,0,0,0|2,0,0]=4 1286 B19R2.57 CCc1ccc(cc1)NN=CCc2ccccc2 4a_100015204395_100000209964 [2,0,0,0,0,0|1,0,1]=4 1287 B19R2.57 CCc1ccc(cc1)OCCCc2ccccc2 34a_100000211359_100000211621 [2,0,0,0,0,0|2,0,0]=4 1288 B19R2.57 CCc1ccc(cc1)OCCCc2ccccc2 7a_100000211359_100000211621 [2,0,0,0,0,0|2,0,0]=4 1289 B19R2.57 CCc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100011215824 [2,0,0,0,0,0|2,0,0]=4 1290 B19R2.57 CCc1ccc(cc1)SCCCc2ccccc2 62a_100011215824_100000211621 [2,0,0,0,0,0|2,0,0]=4 1291 B19R2.57 CCc1ccc(nc1)C=NNCc2ccccc2 4a_100000007032_100000069529 [2,0,0,0,0,0|2,0,0]=4 1292 B19R2.57 COc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000169835 [2,0,0,0,0,0|1,0,0]=3 1293 B19R2.57 COc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000169835 [2,0,0,0,0,0|2,0,0]=4 1294 B19R2.57 COc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000169835 [2,0,0,0,0,0|2,0,0]=4 1295 B19R2.57 COc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000169835 [2,0,0,0,0,0|2,0,0]=4 1296 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000169835 [2,0,0,0,0,0|0,0,2]=4 1297 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 2230a_100000106460_100000742318 [2,0,0,0,0,0|0,0,2]=4 1298 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000169835 [2,0,0,0,0,0|0,0,2]=4 1299 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 34a_100000106460_100000742318 [2,0,0,0,0,0|0,0,2]=4 1300 B19R2.57 COc1ccc(cc1)CNCCc2ccccc2 34a_100000185587_100000765856 [2,0,0,0,0,0|0,0,2]=4 1301 B19R2.57 COc1ccc(cc1)COCCc2ccccc2 34a_100000173359_100000765856 [2,0,0,0,0,0|1,0,1]=4 1302 B19R2.57 COc1ccc(cc1)COCCc2ccccc2 34a_100000210268_100000742318 [2,0,0,0,0,0|1,0,1]=4 1303 B19R2.57 COc1ccc(cc1)COCCc2ccccc2 7a_100000210268_100000742318 [2,0,0,0,0,0|1,0,1]=4 1304 B19R2.57 COc1ccc(cc1)CSCCc2ccccc2 62a_100000765856_100000742318 [2,0,0,0,0,0|1,0,1]=4 1305 B19R2.57 COc1ccc(cc1)NCCCc2ccccc2 34a_100000184247_100000211621 [2,0,0,0,0,0|2,0,0]=4 1306 B19R2.57 COc1ccc(cc1)NN=CCc2ccccc2 4a_100000005221_100000209964 [2,0,0,0,0,0|1,0,1]=4 1307 B19R2.57 COc1ccc(cc1)OCCCc2ccccc2 34a_100000210503_100000211621 [2,0,0,0,0,0|2,0,0]=4 1308 B19R2.57 COc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000171711 [2,0,0,0,0,0|2,0,0]=4 1309 B19R2.57 COc1ccc(cn1)C=NNCc2ccccc2 4a_100000007032_100000761633 [2,0,0,0,0,0|2,0,0]=4 1310 B19R2.57 COc1ccc(nc1)C=NNCc2ccccc2 4a_100000007032_100000701244 [2,0,0,0,0,0|2,0,0]=4 1311 B19R2.57 CSc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000211154 [2,0,0,0,0,0|1,1,0]=4 1312 B19R2.57 OCc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100009832023 [2,0,0,0,0,0|2,0,0]=4 1313 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000211033 [2,0,0,0,0,0|0,0,2]=4 1314 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000174908_100000185958 [2,0,0,0,0,0|0,0,2]=4 1315 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000210814 [2,0,0,0,0,0|0,0,2]=4 1316 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000211033 [2,0,0,0,0,0|0,0,2]=4 1317 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000174908_100000185958 [2,0,0,0,0,0|0,0,2]=4 1318 B19R2.11850 Cc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000174908_100011933945 [2,0,0,0,0,0|0,0,2]=4 1319 B19R2.11850 Cc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000174908_100011933945 [2,0,0,0,0,0|0,0,2]=4 1320 B19R2.11850 Cc1ccc(cc1)COCC(O)c2ccccc2 34a_100011215236_100000185958 [2,0,0,0,0,0|1,0,1]=4 1321 B19R2.11850 Cc1ccc(cc1)COCC(O)c2ccccc2 7a_100011215236_100000185958 [2,0,0,0,0,0|1,0,1]=4 1322 B19R2.11850 Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011215236_100011933945 [2,0,0,0,0,0|1,0,1]=4 1323 B19R2.11850 Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100011215236_100011933945 [2,0,0,0,0,0|1,0,1]=4 1324 B19R2.11850 Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000210814 [2,0,0,0,0,0|1,0,1]=4 1325 B19R2.11850 Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000210814_100000185958 [2,0,0,0,0,0|1,0,1]=4 1326 B19R2.11850 Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000210814_100011933945 [2,0,0,0,0,0|1,0,1]=4 1327 B19R2.11850 Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000210814 [2,0,0,0,0,0|1,0,1]=4 1328 B19R2.11850 Cc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000124888_100000729684 [2,0,0,0,0,0|2,0,0]=4 1329 B19R2.11850 Cc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000210336_100000729684 [2,0,0,0,0,0|2,0,0]=4 1330 B19R2.11850 Cc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000210336_100000729684 [2,0,0,0,0,0|2,0,0]=4 1331 B19R2.11850 Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000186775_100000729684 [2,0,0,0,0,0|2,0,0]=4 1332 B19R2.11850 Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000186775 [2,0,0,0,0,0|2,0,0]=4 1333 B19R2.11850 Oc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000185549_100000185958 [2,0,0,0,0,0|0,0,2]=4 1334 B19R2.11850 Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000185549_100011933945 [2,0,0,0,0,0|0,0,2]=4 1335 B19R2.11850 Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000185829_100000729684 [2,0,0,0,0,0|2,0,0]=4 1336 B19R2.11850 Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000185759 [2,0,0,0,0,0|2,0,0]=4 1337 B21R2.61 CCc1ccc(cc1)CNCC(C)(O)c2ccccc2 207a_100011660926_100000211036 [1,1,0,0,0,0|0,0,2]=4 1338 B21R2.61 CCc1ccc(cc1)CNCC(C)(O)c2ccccc2 2230a_100011660926_100000747183 [1,1,0,0,0,0|0,0,2]=4 1339 B21R2.61 CCc1ccc(cc1)CNCC(C)(O)c2ccccc2 26a_100011660926_100000211359 [1,1,0,0,0,0|0,0,2]=4 1340 B21R2.61 CCc1ccc(cc1)CNCC(C)(O)c2ccccc2 270004a_100011660926_100000211036 [1,1,0,0,0,0|0,0,2]=4 1341 B21R2.61 COc1ccc(cc1)CNCC(C)(O)c2ccccc2 207a_100011660926_100000169835 [1,1,0,0,0,0|0,0,2]=4 1342 B21R2.61 COc1ccc(cc1)CNCC(C)(O)c2ccccc2 2230a_100011660926_100000742318 [1,1,0,0,0,0|0,0,2]=4 1343 B21R2.61 COc1ccc(cc1)CNCC(C)(O)c2ccccc2 26a_100011660926_100000210503 [1,1,0,0,0,0|0,0,2]=4 1344 B21R2.61 COc1ccc(cc1)CNCC(C)(O)c2ccccc2 270004a_100011660926_100000169835 [1,1,0,0,0,0|0,0,2]=4 1345 B21R2.63 CCc1ccc(cc1)COCC(OC)c2ccccc2 34a_100011215540_100000747183 [1,1,0,0,0,0|1,0,1]=4 1346 B21R2.63 CCc1ccc(cc1)COCC(OC)c2ccccc2 7a_100011215540_100000747183 [1,1,0,0,0,0|1,0,1]=4 1347 B21R2.63 COc1ccc(cc1)COCC(OC)c2ccccc2 34a_100011215540_100000742318 [1,1,0,0,0,0|1,0,1]=4 1348 B21R2.63 COc1ccc(cc1)COCC(OC)c2ccccc2 7a_100011215540_100000742318 [1,1,0,0,0,0|1,0,1]=4 1349 B21R2.78 CCc1ccc(cc1)CNCC(O)c2cccc(c2)O 2230a_100020657549_100000747183 [1,1,0,0,0,0|0,0,2]=4 1350 B21R2.78 CCc1ccc(cc1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100000211036 [1,1,0,0,0,0|0,0,2]=4 1351 B21R2.78 CCc1ccc(cc1)CNCC(O)c2cccc(c2)O 34a_100020657549_100000747183 [1,1,0,0,0,0|0,0,2]=4 1352 B21R2.78 COc1ccc(cc1)CNCC(O)c2cccc(c2)O 2230a_100020657549_100000742318 [1,1,0,0,0,0|0,0,2]=4 1353 B21R2.78 COc1ccc(cc1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100000169835 [1,1,0,0,0,0|0,0,2]=4 1354 B21R2.78 COc1ccc(cc1)CNCC(O)c2cccc(c2)O 34a_100020657549_100000742318 [1,1,0,0,0,0|0,0,2]=4 1355 B21R2.80 CCc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000211226_100000729684 [1,1,0,0,0,0|1,0,0]=3 1356 B21R2.80 CCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000211226 [1,1,0,0,0,0|1,0,1]=4 1357 B21R2.80 CCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000211226 [1,1,0,0,0,0|1,0,1]=4 1358 B21R2.80 CCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000211226 [1,1,0,0,0,0|1,0,1]=4 1359 B21R2.80 CCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000211226 [1,1,0,0,0,0|1,0,1]=4 1360 B21R2.80 CCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000211226 [1,1,0,0,0,0|0,0,1]=3 1361 B21R2.80 CCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000211226 [1,1,0,0,0,0|0,0,1]=3 1362 B21R2.80 CCc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000211226 [1,1,0,0,0,0|1,0,1]=4 1363 B21R2.80 CCc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000211226 [1,1,0,0,0,0|1,0,1]=4 1364 B21R2.80 CCc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000211226 [1,1,0,0,0,0|1,0,1]=4 1365 B21R2.80 CCc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000211226 [1,1,0,0,0,0|1,0,1]=4 1366 B21R2.80 CCc1ccc(cc1)C(C)NCC(O)c2ccccc2 2230a_100015186439_100000185958 [1,1,0,0,0,0|0,0,2]=4 1367 B21R2.80 CCc1ccc(cc1)C(C)NCC(O)c2ccccc2 269862a_100000210709_100000211630 [1,1,0,0,0,0|0,0,2]=4 1368 B21R2.80 CCc1ccc(cc1)C(C)NCC(O)c2ccccc2 34a_100015186439_100000185958 [1,1,0,0,0,0|0,0,2]=4 1369 B21R2.80 CCc1ccc(cc1)C(C)NC[C@@H](O)c2ccccc2 2230a_100015186439_100011933945 [1,1,0,0,0,0|0,0,2]=4 1370 B21R2.80 CCc1ccc(cc1)C(C)NC[C@@H](O)c2ccccc2 34a_100015186439_100011933945 [1,1,0,0,0,0|0,0,2]=4 1371 B21R2.80 CCc1ccc(cc1)C(C)OCC(O)c2ccccc2 34a_100011232672_100000185958 [1,1,0,0,0,0|1,0,1]=4 1372 B21R2.80 CCc1ccc(cc1)C(C)OCC(O)c2ccccc2 7a_100011232672_100000185958 [1,1,0,0,0,0|1,0,1]=4 1373 B21R2.80 CCc1ccc(cc1)C(C)OC[C@@H](O)c2ccccc2 34a_100011232672_100011933945 [1,1,0,0,0,0|1,0,1]=4 1374 B21R2.80 CCc1ccc(cc1)C(C)OC[C@@H](O)c2ccccc2 7a_100011232672_100011933945 [1,1,0,0,0,0|1,0,1]=4 1375 B21R2.80 COc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000184203_100000729684 [1,1,0,0,0,0|1,0,0]=3 1376 B21R2.80 COc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000184203 [1,1,0,0,0,0|1,0,1]=4 1377 B21R2.80 COc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000184203 [1,1,0,0,0,0|1,0,1]=4 1378 B21R2.80 COc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000184203 [1,1,0,0,0,0|1,0,1]=4 1379 B21R2.80 COc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000184203 [1,1,0,0,0,0|1,0,1]=4 1380 B21R2.80 COc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000184203 [1,1,0,0,0,0|0,0,1]=3 1381 B21R2.80 COc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000184203 [1,1,0,0,0,0|0,0,1]=3 1382 B21R2.80 COc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000184203 [1,1,0,0,0,0|1,0,1]=4 1383 B21R2.80 COc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000184203 [1,1,0,0,0,0|1,0,1]=4 1384 B21R2.80 COc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000184203 [1,1,0,0,0,0|1,0,1]=4 1385 B21R2.80 COc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000184203 [1,1,0,0,0,0|1,0,1]=4 1386 B21R2.80 COc1ccc(cc1)C(C)NCC(O)c2ccccc2 269862a_100000210709_100000169859 [1,1,0,0,0,0|0,0,2]=4 1387 B21R2.80 COc1ccc(cc1)C(C)OCC(O)c2ccccc2 34a_100000742907_100000185958 [1,1,0,0,0,0|1,0,1]=4 1388 B21R2.80 COc1ccc(cc1)C(C)OCC(O)c2ccccc2 7a_100000742907_100000185958 [1,1,0,0,0,0|1,0,1]=4 1389 B21R2.80 COc1ccc(cc1)C(C)OC[C@@H](O)c2ccccc2 34a_100000742907_100011933945 [1,1,0,0,0,0|1,0,1]=4 1390 B21R2.80 COc1ccc(cc1)C(C)OC[C@@H](O)c2ccccc2 7a_100000742907_100011933945 [1,1,0,0,0,0|1,0,1]=4 1391 B21R2.80 COc1ccc(cc1)N(C)CC[C@@H](O)c2ccccc2 2230a_100000220023_100000729684 [1,1,0,0,0,0|2,0,0]=4 1392 B21R2.80 COc1ccc(cc1)N(C)CC[C@@H](O)c2ccccc2 269982a_100000220023_100000729684 [1,1,0,0,0,0|2,0,0]=4 1393 B21R2.80 COc1ccc(cc1)N(C)CC[C@@H](O)c2ccccc2 34a_100000220023_100000729684 [1,1,0,0,0,0|2,0,0]=4 1394 B21R2.80 COc1ccc(cc1)[C@@H](C)NCC(O)c2ccccc2 2230a_100011830352_100000185958 [1,1,0,0,0,0|0,0,2]=4 1395 B21R2.80 COc1ccc(cc1)[C@@H](C)NC[C@@H](O)c2ccccc2 2230a_100011830352_100011933945 [1,1,0,0,0,0|0,0,2]=4 1396 B21R2.80 CSc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000189692_100000729684 [1,1,0,0,0,0|1,1,0]=4 1397 B21R2.80 CSc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000189692 [1,1,0,0,0,0|0,1,1]=4 1398 B21R2.80 CSc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000189692 [1,1,0,0,0,0|0,1,1]=4 1399 B21R2.80 O=C(CC[C@@H](O)c1ccccc1)c2ccc(cc2)CO 1458a_100000183892_100000729684 [1,1,0,0,0,0|2,0,0]=4 1400 B21R2.80 O=C(NCC(O)c1ccccc1)c2ccc(cc2)CO 240690a_100000210709_100000183892 [1,1,0,0,0,0|1,0,1]=4 1401 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100000211036 [1,1,0,0,0,0|0,0,2]=4 1402 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 2230a_100020626992_100000747183 [1,1,0,0,0,0|0,0,2]=4 1403 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100000211036 [1,1,0,0,0,0|0,0,2]=4 1404 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 34a_100020626992_100000747183 [1,1,0,0,0,0|0,0,2]=4 1405 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 207a_200020610344_100000211036 [1,1,0,0,0,0|0,0,2]=4 1406 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 2230a_200020610344_100000747183 [1,1,0,0,0,0|0,0,2]=4 1407 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100000211036 [1,1,0,0,0,0|0,0,2]=4 1408 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)C 34a_200020610344_100000747183 [1,1,0,0,0,0|0,0,2]=4 1409 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100000211036 [1,1,0,0,0,0|0,0,2]=4 1410 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100000721222_200011996143 [1,1,0,0,0,0|0,0,2]=4 1411 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100000736658_100000747183 [1,1,0,0,0,0|0,0,2]=4 1412 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100000211036 [1,1,0,0,0,0|0,0,2]=4 1413 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000721222_200011996143 [1,1,0,0,0,0|0,0,2]=4 1414 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000736658_100000747183 [1,1,0,0,0,0|0,0,2]=4 1415 B21R2.116 CCc1ccc(cc1)CNCC(O)c2ccc(cc2)O 34a_100000067596_100000747183 [1,1,0,0,0,0|0,0,2]=4 1416 B21R2.116 CCc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 2230a_100000721222_100000720402 [1,1,0,0,0,0|0,0,2]=4 1417 B21R2.116 CCc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 34a_100000721222_100000720402 [1,1,0,0,0,0|0,0,2]=4 1418 B21R2.116 CCc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 34a_100000702245_200011996143 [1,1,0,0,0,0|1,0,1]=4 1419 B21R2.116 CCc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 7a_100000702245_200011996143 [1,1,0,0,0,0|1,0,1]=4 1420 B21R2.116 CCc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 34a_100000702245_100000720402 [1,1,0,0,0,0|1,0,1]=4 1421 B21R2.116 CCc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 7a_100000702245_100000720402 [1,1,0,0,0,0|1,0,1]=4 1422 B21R2.116 CCc1ccc(cc1)CSCC(O)c2ccc(cc2)Cl 62a_100000757233_200011996143 [1,1,0,0,0,0|1,0,1]=4 1423 B21R2.116 CCc1ccc(cc1)CSCC(O)c2ccc(cc2)Cl 62a_200011996143_100000747183 [1,1,0,0,0,0|1,0,1]=4 1424 B21R2.116 CCc1ccc(cc1)CSC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000747183 [1,1,0,0,0,0|1,0,1]=4 1425 B21R2.116 CCc1ccc(cc1)CSC[C@H](O)c2ccc(cc2)F 62a_100000757233_100000720402 [1,1,0,0,0,0|1,0,1]=4 1426 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100000169835 [1,1,0,0,0,0|0,0,2]=4 1427 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 2230a_100020626992_100000742318 [1,1,0,0,0,0|0,0,2]=4 1428 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100000169835 [1,1,0,0,0,0|0,0,2]=4 1429 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 34a_100020626992_100000742318 [1,1,0,0,0,0|0,0,2]=4 1430 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)C 207a_200020610344_100000169835 [1,1,0,0,0,0|0,0,2]=4 1431 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)C 2230a_200020610344_100000742318 [1,1,0,0,0,0|0,0,2]=4 1432 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100000169835 [1,1,0,0,0,0|0,0,2]=4 1433 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)C 34a_200020610344_100000742318 [1,1,0,0,0,0|0,0,2]=4 1434 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100000169835 [1,1,0,0,0,0|0,0,2]=4 1435 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100000736658_100000742318 [1,1,0,0,0,0|0,0,2]=4 1436 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100000169835 [1,1,0,0,0,0|0,0,2]=4 1437 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000185587_200011996143 [1,1,0,0,0,0|0,0,2]=4 1438 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000736658_100000742318 [1,1,0,0,0,0|0,0,2]=4 1439 B21R2.116 COc1ccc(cc1)CNCC(O)c2ccc(cc2)O 34a_100000067596_100000742318 [1,1,0,0,0,0|0,0,2]=4 1440 B21R2.116 COc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 34a_100000185587_100000720402 [1,1,0,0,0,0|0,0,2]=4 1441 B21R2.116 COc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 34a_100000173359_200011996143 [1,1,0,0,0,0|1,0,1]=4 1442 B21R2.116 COc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 34a_100000173359_100000720402 [1,1,0,0,0,0|1,0,1]=4 1443 B21R2.116 COc1ccc(cc1)CSCC(O)c2ccc(cc2)Cl 62a_200011996143_100000742318 [1,1,0,0,0,0|1,0,1]=4 1444 B21R2.116 COc1ccc(cc1)CSC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000742318 [1,1,0,0,0,0|1,0,1]=4 1445 B21R2.5913 CCc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_100000690199_100000747183 [1,1,0,0,0,0|1,0,1]=4 1446 B21R2.5913 CCc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_200000759805_100000185958 [1,1,0,0,0,0|1,0,1]=4 1447 B21R2.5913 CCc1ccc(cc1)CC(=O)C[C@@H](O)c2ccccc2 1458a_200000759805_100011933945 [1,1,0,0,0,0|1,0,1]=4 1448 B21R2.5913 CCc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000227976_100000747183 [1,1,0,0,0,0|0,0,2]=4 1449 B21R2.5913 CCc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000683253_100000185958 [1,1,0,0,0,0|0,0,2]=4 1450 B21R2.5913 CCc1ccc(cc1)CN(C)CC(O)c2ccccc2 269982a_100000227976_100000747183 [1,1,0,0,0,0|0,0,2]=4 1451 B21R2.5913 CCc1ccc(cc1)CN(C)CC(O)c2ccccc2 26a_100000227976_100000211359 [1,1,0,0,0,0|0,0,2]=4 1452 B21R2.5913 CCc1ccc(cc1)CN(C)CC(O)c2ccccc2 270004a_100000227976_100000211036 [1,1,0,0,0,0|0,0,2]=4 1453 B21R2.5913 CCc1ccc(cc1)CN(C)C[C@@H](O)c2ccccc2 2230a_100000683253_100011933945 [1,1,0,0,0,0|0,0,2]=4 1454 B21R2.5913 CCc1ccc(cc1)NC(=O)CC(O)c2ccccc2 22a_100000211069_100000690199 [1,1,0,0,0,0|2,0,0]=4 1455 B21R2.5913 COc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_100000210706_100000185958 [1,1,0,0,0,0|1,0,1]=4 1456 B21R2.5913 COc1ccc(cc1)CC(=O)C[C@@H](O)c2ccccc2 1458a_100000210706_100011933945 [1,1,0,0,0,0|1,0,1]=4 1457 B21R2.5913 COc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000184145_100000185958 [1,1,0,0,0,0|0,0,2]=4 1458 B21R2.5913 COc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000227976_100000742318 [1,1,0,0,0,0|0,0,2]=4 1459 B21R2.5913 COc1ccc(cc1)CN(C)CC(O)c2ccccc2 269982a_100000227976_100000742318 [1,1,0,0,0,0|0,0,2]=4 1460 B21R2.5913 COc1ccc(cc1)CN(C)CC(O)c2ccccc2 26a_100000227976_100000210503 [1,1,0,0,0,0|0,0,2]=4 1461 B21R2.5913 COc1ccc(cc1)CN(C)CC(O)c2ccccc2 270004a_100000227976_100000169835 [1,1,0,0,0,0|0,0,2]=4 1462 B21R2.5913 COc1ccc(cc1)CN(C)C[C@@H](O)c2ccccc2 2230a_100000184145_100011933945 [1,1,0,0,0,0|0,0,2]=4 1463 B21R2.5913 COc1ccc(cc1)NC(=O)CC(O)c2ccccc2 22a_100000184247_100000690199 [1,1,0,0,0,0|2,0,0]=4 1464 B21R2.6675 CCc1ccc(cc1)CNCC(O)c2ccccc2Br 207a_100011236429_100000211036 [1,1,0,0,0,0|0,0,2]=4 1465 B21R2.6675 CCc1ccc(cc1)CNCC(O)c2ccccc2Br 2230a_100011236429_100000747183 [1,1,0,0,0,0|0,0,2]=4 1466 B21R2.6675 CCc1ccc(cc1)CNCC(O)c2ccccc2Br 270004a_100011236429_100000211036 [1,1,0,0,0,0|0,0,2]=4 1467 B21R2.6675 CCc1ccc(cc1)CNCC(O)c2ccccc2Cl 207a_200000759403_100000211036 [1,1,0,0,0,0|0,0,2]=4 1468 B21R2.6675 CCc1ccc(cc1)CNCC(O)c2ccccc2Cl 2230a_200000759403_100000747183 [1,1,0,0,0,0|0,0,2]=4 1469 B21R2.6675 CCc1ccc(cc1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100000211036 [1,1,0,0,0,0|0,0,2]=4 1470 B21R2.6675 CCc1ccc(cc1)CNCC(O)c2ccccc2Cl 34a_200000759403_100000747183 [1,1,0,0,0,0|0,0,2]=4 1471 B21R2.6675 COc1ccc(cc1)CNCC(O)c2ccccc2Br 207a_100011236429_100000169835 [1,1,0,0,0,0|0,0,2]=4 1472 B21R2.6675 COc1ccc(cc1)CNCC(O)c2ccccc2Br 2230a_100011236429_100000742318 [1,1,0,0,0,0|0,0,2]=4 1473 B21R2.6675 COc1ccc(cc1)CNCC(O)c2ccccc2Br 270004a_100011236429_100000169835 [1,1,0,0,0,0|0,0,2]=4 1474 B21R2.6675 COc1ccc(cc1)CNCC(O)c2ccccc2Cl 207a_200000759403_100000169835 [1,1,0,0,0,0|0,0,2]=4 1475 B21R2.6675 COc1ccc(cc1)CNCC(O)c2ccccc2Cl 2230a_200000759403_100000742318 [1,1,0,0,0,0|0,0,2]=4 1476 B21R2.6675 COc1ccc(cc1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100000169835 [1,1,0,0,0,0|0,0,2]=4 1477 B21R2.6675 COc1ccc(cc1)CNCC(O)c2ccccc2Cl 34a_200000759403_100000742318 [1,1,0,0,0,0|0,0,2]=4 1478 B21R2.12884 CC(C)c1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000210693 [1,1,0,0,0,0|0,0,2]=4 1479 B21R2.12884 CC(C)c1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000174979_100000185958 [1,1,0,0,0,0|0,0,2]=4 1480 B21R2.12884 CC(C)c1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000181262 [1,1,0,0,0,0|0,0,2]=4 1481 B21R2.12884 CC(C)c1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000210693 [1,1,0,0,0,0|0,0,2]=4 1482 B21R2.12884 CC(C)c1ccc(cc1)CNCC(O)c2ccccc2 34a_100000174979_100000185958 [1,1,0,0,0,0|0,0,2]=4 1483 B21R2.12884 CC(C)c1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000174979_100011933945 [1,1,0,0,0,0|0,0,2]=4 1484 B21R2.12884 CC(C)c1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000174979_100011933945 [1,1,0,0,0,0|0,0,2]=4 1485 B21R2.12884 CC(C)c1ccc(cc1)COCC(O)c2ccccc2 34a_100000181325_100000185958 [1,1,0,0,0,0|1,0,1]=4 1486 B21R2.12884 CC(C)c1ccc(cc1)COCC(O)c2ccccc2 7a_100000181325_100000185958 [1,1,0,0,0,0|1,0,1]=4 1487 B21R2.12884 CC(C)c1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000181325_100011933945 [1,1,0,0,0,0|1,0,1]=4 1488 B21R2.12884 CC(C)c1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100000181325_100011933945 [1,1,0,0,0,0|1,0,1]=4 1489 B21R2.12884 CC(C)c1ccc(cc1)CSCC(O)c2ccccc2 62a_100000181262_100000185958 [1,1,0,0,0,0|1,0,1]=4 1490 B21R2.12884 CC(C)c1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000181262 [1,1,0,0,0,0|1,0,1]=4 1491 B21R2.12884 CC(C)c1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000181262_100011933945 [1,1,0,0,0,0|1,0,1]=4 1492 B21R2.12884 CC(C)c1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000181262 [1,1,0,0,0,0|1,0,1]=4 1493 B21R2.12884 CC(C)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000210773_100000729684 [1,1,0,0,0,0|2,0,0]=4 1494 B21R2.12884 CC(C)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000210773_100000729684 [1,1,0,0,0,0|2,0,0]=4 1495 B21R2.12884 CC(C)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 7a_100000210773_100000729684 [1,1,0,0,0,0|2,0,0]=4 1496 B21R2.12884 CC(C)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000181308_100000729684 [1,1,0,0,0,0|2,0,0]=4 1497 B21R2.12884 CC(C)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000181308_100000729684 [1,1,0,0,0,0|2,0,0]=4 1498 B21R2.12884 CC(C)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000750031 [1,1,0,0,0,0|2,0,0]=4 1499 B21R2.12884 CC(C)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000750031_100000729684 [1,1,0,0,0,0|2,0,0]=4 1500 B21R2.12884 CC(O)c1ccc(cc1)CNCC(O)c2ccccc2 2230a_200000048501_100000185958 [1,1,0,0,0,0|0,0,2]=4 1501 B21R2.12884 CC(O)c1ccc(cc1)CNCC(O)c2ccccc2 34a_200000048501_100000185958 [1,1,0,0,0,0|0,0,2]=4 1502 B21R2.12884 CC(O)c1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_200000048501_100011933945 [1,1,0,0,0,0|0,0,2]=4 1503 B21R2.12884 CC(O)c1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_200000048501_100011933945 [1,1,0,0,0,0|0,0,2]=4 1504 B21R2.12884 CC(O)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100011216399_100000729684 [1,1,0,0,0,0|2,0,0]=4 1505 B21R2.12884 CC(O)c1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100011216399_100000729684 [1,1,0,0,0,0|2,0,0]=4 1506 B21R2.12884 CC(O)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000754508_100000729684 [1,1,0,0,0,0|2,0,0]=4 1507 B21R2.12884 CC(O)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000754508_100000729684 [1,1,0,0,0,0|2,0,0]=4 1508 B21R2.12884 CC(O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000745893 [1,1,0,0,0,0|2,0,0]=4 1509 B21R2.12884 CC(O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000745893_100000729684 [1,1,0,0,0,0|2,0,0]=4 1510 B21R2.12884 C[C@@H](N)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000720352_100000729684 [1,1,0,0,0,0|2,0,0]=4 1511 B21R2.12884 C[C@@H](N)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000720352 [1,1,0,0,0,0|2,0,0]=4 1512 B21R2.12884 C[C@H](N)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100161106496_100000729684 [1,1,0,0,0,0|2,0,0]=4 1513 B21R2.12884 C[C@H](N)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000753911 [1,1,0,0,0,0|2,0,0]=4 1514 B21R2.12884 C[C@H](N)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000753911_100000729684 [1,1,0,0,0,0|2,0,0]=4 1515 B21R2.35557 CCc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 2230a_100000766362_100000729684 [1,1,0,0,0,0|2,0,0]=4 1516 B21R2.35557 CCc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 34a_100000766362_100000729684 [1,1,0,0,0,0|2,0,0]=4 1517 B21R2.35557 CCc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 7a_100000766362_100000729684 [1,1,0,0,0,0|2,0,0]=4 1518 B21R2.35557 CCc1ccc(cc1Cl)OCC[C@@H](O)c2ccccc2 34a_100009886192_100000729684 [1,1,0,0,0,0|2,0,0]=4 1519 B21R2.35557 CCc1ccc(cc1Cl)OCC[C@@H](O)c2ccccc2 7a_100009886192_100000729684 [1,1,0,0,0,0|2,0,0]=4 1520 B21R2.35557 CCc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100000729684_200010071577 [1,1,0,0,0,0|2,0,0]=4 1521 B21R2.35557 CCc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_200010071577_100000729684 [1,1,0,0,0,0|2,0,0]=4 1522 B21R2.35557 CCc1ccc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012354963 [1,1,0,0,0,0|2,0,0]=4 1523 B21R2.35557 CCc1ccc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100012354963_100000729684 [1,1,0,0,0,0|2,0,0]=4 1524 B21R2.35557 COc1ccc(cc1Br)CNCC(O)c2ccccc2 207a_100000210709_100000173361 [1,1,0,0,0,0|0,0,2]=4 1525 B21R2.35557 COc1ccc(cc1Br)CNCC(O)c2ccccc2 2230a_100000210709_200011397701 [1,1,0,0,0,0|0,0,2]=4 1526 B21R2.35557 COc1ccc(cc1Br)CNCC(O)c2ccccc2 270004a_100000210709_100000173361 [1,1,0,0,0,0|0,0,2]=4 1527 B21R2.35557 COc1ccc(cc1Br)CNCC(O)c2ccccc2 34a_100159240714_100000185958 [1,1,0,0,0,0|0,0,2]=4 1528 B21R2.35557 COc1ccc(cc1Br)CNC[C@@H](O)c2ccccc2 34a_100159240714_100011933945 [1,1,0,0,0,0|0,0,2]=4 1529 B21R2.35557 COc1ccc(cc1Br)COCC(O)c2ccccc2 34a_100000246451_100000185958 [1,1,0,0,0,0|1,0,1]=4 1530 B21R2.35557 COc1ccc(cc1Br)COCC(O)c2ccccc2 7a_100000246451_100000185958 [1,1,0,0,0,0|1,0,1]=4 1531 B21R2.35557 COc1ccc(cc1Br)COC[C@@H](O)c2ccccc2 34a_100000246451_100011933945 [1,1,0,0,0,0|1,0,1]=4 1532 B21R2.35557 COc1ccc(cc1Br)COC[C@@H](O)c2ccccc2 7a_100000246451_100011933945 [1,1,0,0,0,0|1,0,1]=4 1533 B21R2.35557 COc1ccc(cc1Br)CSCC(O)c2ccccc2 62a_100000185958_200011397701 [1,1,0,0,0,0|1,0,1]=4 1534 B21R2.35557 COc1ccc(cc1Br)CSCC(O)c2ccccc2 62a_200011397701_100000185958 [1,1,0,0,0,0|1,0,1]=4 1535 B21R2.35557 COc1ccc(cc1Br)CSC[C@@H](O)c2ccccc2 62a_100011933945_200011397701 [1,1,0,0,0,0|1,0,1]=4 1536 B21R2.35557 COc1ccc(cc1Br)CSC[C@@H](O)c2ccccc2 62a_200011397701_100011933945 [1,1,0,0,0,0|1,0,1]=4 1537 B21R2.35557 COc1ccc(cc1Br)NCC[C@@H](O)c2ccccc2 34a_100000187427_100000729684 [1,1,0,0,0,0|2,0,0]=4 1538 B21R2.35557 COc1ccc(cc1Br)OCC[C@@H](O)c2ccccc2 34a_100010234764_100000729684 [1,1,0,0,0,0|2,0,0]=4 1539 B21R2.35557 COc1ccc(cc1Br)OCC[C@@H](O)c2ccccc2 7a_100010234764_100000729684 [1,1,0,0,0,0|2,0,0]=4 1540 B21R2.35557 COc1ccc(cc1Br)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011249507 [1,1,0,0,0,0|2,0,0]=4 1541 B21R2.35557 COc1ccc(cc1Br)SCC[C@@H](O)c2ccccc2 62a_100011249507_100000729684 [1,1,0,0,0,0|2,0,0]=4 1542 B21R2.35557 COc1ccc(cc1C)CNCC(O)c2ccccc2 207a_100000210709_100000239718 [1,1,0,0,0,0|0,0,2]=4 1543 B21R2.35557 COc1ccc(cc1C)CNCC(O)c2ccccc2 2230a_100000210709_200011290836 [1,1,0,0,0,0|0,0,2]=4 1544 B21R2.35557 COc1ccc(cc1C)CNCC(O)c2ccccc2 2230a_100102679029_100000185958 [1,1,0,0,0,0|0,0,2]=4 1545 B21R2.35557 COc1ccc(cc1C)CNCC(O)c2ccccc2 270004a_100000210709_100000239718 [1,1,0,0,0,0|0,0,2]=4 1546 B21R2.35557 COc1ccc(cc1C)CNCC(O)c2ccccc2 34a_100102679029_100000185958 [1,1,0,0,0,0|0,0,2]=4 1547 B21R2.35557 COc1ccc(cc1C)CNC[C@@H](O)c2ccccc2 2230a_100102679029_100011933945 [1,1,0,0,0,0|0,0,2]=4 1548 B21R2.35557 COc1ccc(cc1C)CNC[C@@H](O)c2ccccc2 34a_100102679029_100011933945 [1,1,0,0,0,0|0,0,2]=4 1549 B21R2.35557 COc1ccc(cc1C)COCC(O)c2ccccc2 34a_200011290855_100000185958 [1,1,0,0,0,0|1,0,1]=4 1550 B21R2.35557 COc1ccc(cc1C)COCC(O)c2ccccc2 7a_200011290855_100000185958 [1,1,0,0,0,0|1,0,1]=4 1551 B21R2.35557 COc1ccc(cc1C)COC[C@@H](O)c2ccccc2 34a_200011290855_100011933945 [1,1,0,0,0,0|1,0,1]=4 1552 B21R2.35557 COc1ccc(cc1C)COC[C@@H](O)c2ccccc2 7a_200011290855_100011933945 [1,1,0,0,0,0|1,0,1]=4 1553 B21R2.35557 COc1ccc(cc1C)CSCC(O)c2ccccc2 62a_100000185958_200011290836 [1,1,0,0,0,0|1,0,1]=4 1554 B21R2.35557 COc1ccc(cc1C)CSCC(O)c2ccccc2 62a_200011290836_100000185958 [1,1,0,0,0,0|1,0,1]=4 1555 B21R2.35557 COc1ccc(cc1C)CSC[C@@H](O)c2ccccc2 62a_100011933945_200011290836 [1,1,0,0,0,0|1,0,1]=4 1556 B21R2.35557 COc1ccc(cc1C)CSC[C@@H](O)c2ccccc2 62a_200011290836_100011933945 [1,1,0,0,0,0|1,0,1]=4 1557 B21R2.35557 COc1ccc(cc1C)NCC[C@@H](O)c2ccccc2 2230a_100000743268_100000729684 [1,1,0,0,0,0|2,0,0]=4 1558 B21R2.35557 COc1ccc(cc1C)NCC[C@@H](O)c2ccccc2 34a_100000743268_100000729684 [1,1,0,0,0,0|2,0,0]=4 1559 B21R2.35557 COc1ccc(cc1C)NCC[C@@H](O)c2ccccc2 7a_100000743268_100000729684 [1,1,0,0,0,0|2,0,0]=4 1560 B21R2.35557 COc1ccc(cc1C)OCC[C@@H](O)c2ccccc2 34a_100000759738_100000729684 [1,1,0,0,0,0|2,0,0]=4 1561 B21R2.35557 COc1ccc(cc1C)OCC[C@@H](O)c2ccccc2 7a_100000759738_100000729684 [1,1,0,0,0,0|2,0,0]=4 1562 B21R2.35557 COc1ccc(cc1C)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011219705 [1,1,0,0,0,0|2,0,0]=4 1563 B21R2.35557 COc1ccc(cc1C)SCC[C@@H](O)c2ccccc2 62a_100011219705_100000729684 [1,1,0,0,0,0|2,0,0]=4 1564 B21R2.35557 COc1ccc(cc1Cl)CNCC(O)c2ccccc2 207a_100000210709_100000186747 [1,1,0,0,0,0|0,0,2]=4 1565 B21R2.35557 COc1ccc(cc1Cl)CNCC(O)c2ccccc2 2230a_100000008799_100000185958 [1,1,0,0,0,0|0,0,2]=4 1566 B21R2.35557 COc1ccc(cc1Cl)CNCC(O)c2ccccc2 2230a_100000210709_100000693707 [1,1,0,0,0,0|0,0,2]=4 1567 B21R2.35557 COc1ccc(cc1Cl)CNCC(O)c2ccccc2 270004a_100000210709_100000186747 [1,1,0,0,0,0|0,0,2]=4 1568 B21R2.35557 COc1ccc(cc1Cl)CNCC(O)c2ccccc2 34a_100000008799_100000185958 [1,1,0,0,0,0|0,0,2]=4 1569 B21R2.35557 COc1ccc(cc1Cl)CNC[C@@H](O)c2ccccc2 2230a_100000008799_100011933945 [1,1,0,0,0,0|0,0,2]=4 1570 B21R2.35557 COc1ccc(cc1Cl)CNC[C@@H](O)c2ccccc2 34a_100000008799_100011933945 [1,1,0,0,0,0|0,0,2]=4 1571 B21R2.35557 COc1ccc(cc1Cl)COCC(O)c2ccccc2 34a_100000694469_100000185958 [1,1,0,0,0,0|1,0,1]=4 1572 B21R2.35557 COc1ccc(cc1Cl)COCC(O)c2ccccc2 7a_100000694469_100000185958 [1,1,0,0,0,0|1,0,1]=4 1573 B21R2.35557 COc1ccc(cc1Cl)COC[C@@H](O)c2ccccc2 34a_100000694469_100011933945 [1,1,0,0,0,0|1,0,1]=4 1574 B21R2.35557 COc1ccc(cc1Cl)COC[C@@H](O)c2ccccc2 7a_100000694469_100011933945 [1,1,0,0,0,0|1,0,1]=4 1575 B21R2.35557 COc1ccc(cc1Cl)CSCC(O)c2ccccc2 62a_100000185958_100000693707 [1,1,0,0,0,0|1,0,1]=4 1576 B21R2.35557 COc1ccc(cc1Cl)CSCC(O)c2ccccc2 62a_100000693707_100000185958 [1,1,0,0,0,0|1,0,1]=4 1577 B21R2.35557 COc1ccc(cc1Cl)CSC[C@@H](O)c2ccccc2 62a_100000693707_100011933945 [1,1,0,0,0,0|1,0,1]=4 1578 B21R2.35557 COc1ccc(cc1Cl)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000693707 [1,1,0,0,0,0|1,0,1]=4 1579 B21R2.35557 COc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 2230a_100000211044_100000729684 [1,1,0,0,0,0|2,0,0]=4 1580 B21R2.35557 COc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 34a_100000211044_100000729684 [1,1,0,0,0,0|2,0,0]=4 1581 B21R2.35557 COc1ccc(cc1Cl)OCC[C@@H](O)c2ccccc2 34a_200009861682_100000729684 [1,1,0,0,0,0|2,0,0]=4 1582 B21R2.35557 COc1ccc(cc1Cl)OCC[C@@H](O)c2ccccc2 7a_200009861682_100000729684 [1,1,0,0,0,0|2,0,0]=4 1583 B21R2.35557 COc1ccc(cc1Cl)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012355395 [1,1,0,0,0,0|2,0,0]=4 1584 B21R2.35557 COc1ccc(cc1Cl)SCC[C@@H](O)c2ccccc2 62a_100012355395_100000729684 [1,1,0,0,0,0|2,0,0]=4 1585 B21R2.35557 COc1ccc(cc1F)CNCC(O)c2ccccc2 207a_100000210709_100000204617 [1,1,0,0,0,0|0,0,2]=4 1586 B21R2.35557 COc1ccc(cc1F)CNCC(O)c2ccccc2 2230a_100000210709_100000189595 [1,1,0,0,0,0|0,0,2]=4 1587 B21R2.35557 COc1ccc(cc1F)CNCC(O)c2ccccc2 2230a_100000737316_100000185958 [1,1,0,0,0,0|0,0,2]=4 1588 B21R2.35557 COc1ccc(cc1F)CNCC(O)c2ccccc2 270004a_100000210709_100000204617 [1,1,0,0,0,0|0,0,2]=4 1589 B21R2.35557 COc1ccc(cc1F)CNCC(O)c2ccccc2 34a_100000737316_100000185958 [1,1,0,0,0,0|0,0,2]=4 1590 B21R2.35557 COc1ccc(cc1F)CNC[C@@H](O)c2ccccc2 2230a_100000737316_100011933945 [1,1,0,0,0,0|0,0,2]=4 1591 B21R2.35557 COc1ccc(cc1F)CNC[C@@H](O)c2ccccc2 34a_100000737316_100011933945 [1,1,0,0,0,0|0,0,2]=4 1592 B21R2.35557 COc1ccc(cc1F)COCC(O)c2ccccc2 34a_100000246395_100000185958 [1,1,0,0,0,0|1,0,1]=4 1593 B21R2.35557 COc1ccc(cc1F)COCC(O)c2ccccc2 7a_100000246395_100000185958 [1,1,0,0,0,0|1,0,1]=4 1594 B21R2.35557 COc1ccc(cc1F)COC[C@@H](O)c2ccccc2 34a_100000246395_100011933945 [1,1,0,0,0,0|1,0,1]=4 1595 B21R2.35557 COc1ccc(cc1F)COC[C@@H](O)c2ccccc2 7a_100000246395_100011933945 [1,1,0,0,0,0|1,0,1]=4 1596 B21R2.35557 COc1ccc(cc1F)CSCC(O)c2ccccc2 62a_100000185958_100000189595 [1,1,0,0,0,0|1,0,1]=4 1597 B21R2.35557 COc1ccc(cc1F)CSCC(O)c2ccccc2 62a_100000189595_100000185958 [1,1,0,0,0,0|1,0,1]=4 1598 B21R2.35557 COc1ccc(cc1F)CSC[C@@H](O)c2ccccc2 62a_100000189595_100011933945 [1,1,0,0,0,0|1,0,1]=4 1599 B21R2.35557 COc1ccc(cc1F)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000189595 [1,1,0,0,0,0|1,0,1]=4 1600 B21R2.35557 COc1ccc(cc1F)NCC[C@@H](O)c2ccccc2 2230a_100000740183_100000729684 [1,1,0,0,0,0|2,0,0]=4 1601 B21R2.35557 COc1ccc(cc1F)NCC[C@@H](O)c2ccccc2 34a_100000740183_100000729684 [1,1,0,0,0,0|2,0,0]=4 1602 B21R2.35557 COc1ccc(cc1F)OCC[C@@H](O)c2ccccc2 34a_100000746305_100000729684 [1,1,0,0,0,0|2,0,0]=4 1603 B21R2.35557 COc1ccc(cc1F)OCC[C@@H](O)c2ccccc2 7a_100000746305_100000729684 [1,1,0,0,0,0|2,0,0]=4 1604 B21R2.35557 COc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100000171752_100000729684 [1,1,0,0,0,0|2,0,0]=4 1605 B21R2.35557 COc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000171752 [1,1,0,0,0,0|2,0,0]=4 1606 B21R2.35557 COc1ccc(cc1I)CNCC(O)c2ccccc2 207a_100000210709_100009827998 [1,1,0,0,0,0|0,0,2]=4 1607 B21R2.35557 COc1ccc(cc1I)CNCC(O)c2ccccc2 270004a_100000210709_100009827998 [1,1,0,0,0,0|0,0,2]=4 1608 B21R2.35557 COc1ccc(cc1I)COCC(O)c2ccccc2 34a_200000013966_100000185958 [1,1,0,0,0,0|1,0,1]=4 1609 B21R2.35557 COc1ccc(cc1I)COCC(O)c2ccccc2 7a_200000013966_100000185958 [1,1,0,0,0,0|1,0,1]=4 1610 B21R2.35557 COc1ccc(cc1I)COC[C@@H](O)c2ccccc2 34a_200000013966_100011933945 [1,1,0,0,0,0|1,0,1]=4 1611 B21R2.35557 COc1ccc(cc1I)COC[C@@H](O)c2ccccc2 7a_200000013966_100011933945 [1,1,0,0,0,0|1,0,1]=4 1612 B21R2.35557 COc1ccc(cc1I)NCC[C@@H](O)c2ccccc2 34a_100011356947_100000729684 [1,1,0,0,0,0|2,0,0]=4 1613 B21R2.35557 COc1ccc(cc1I)OCC[C@@H](O)c2ccccc2 34a_100010084122_100000729684 [1,1,0,0,0,0|2,0,0]=4 1614 B21R2.35557 COc1ccc(cc1I)OCC[C@@H](O)c2ccccc2 7a_100010084122_100000729684 [1,1,0,0,0,0|2,0,0]=4 1615 B21R2.35557 COc1ccc(cc1N)COCC(O)c2ccccc2 34a_100011269841_100000185958 [1,1,0,0,0,0|1,0,1]=4 1616 B21R2.35557 COc1ccc(cc1N)COC[C@@H](O)c2ccccc2 34a_100011269841_100011933945 [1,1,0,0,0,0|1,0,1]=4 1617 B21R2.35557 COc1ccc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011249504 [1,1,0,0,0,0|2,0,0]=4 1618 B21R2.35557 COc1ccc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100011249504_100000729684 [1,1,0,0,0,0|2,0,0]=4 1619 B21R2.35557 COc1ccc(cc1O)CNCC(O)c2ccccc2 34a_100000740000_100000185958 [1,1,0,0,0,0|0,0,2]=4 1620 B21R2.35557 COc1ccc(cc1O)CNC[C@@H](O)c2ccccc2 34a_100000740000_100011933945 [1,1,0,0,0,0|0,0,2]=4 1621 B21R2.35557 COc1ccc(cc1O)NCC[C@@H](O)c2ccccc2 34a_100000211920_100000729684 [1,1,0,0,0,0|2,0,0]=4 1622 B21R2.35557 COc1ccc(cc1O)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009816560 [1,1,0,0,0,0|2,0,0]=4 1623 B21R2.62895 CCc1ccc(c(c1)Br)NCC[C@@H](O)c2ccccc2 2230a_100012339725_100000729684 [1,1,0,0,0,0|2,0,0]=4 1624 B21R2.62895 CCc1ccc(c(c1)Br)NCC[C@@H](O)c2ccccc2 34a_100012339725_100000729684 [1,1,0,0,0,0|2,0,0]=4 1625 B21R2.62895 CCc1ccc(c(c1)Br)OCC[C@@H](O)c2ccccc2 34a_100012339963_100000729684 [1,1,0,0,0,0|2,0,0]=4 1626 B21R2.62895 CCc1ccc(c(c1)Br)OCC[C@@H](O)c2ccccc2 7a_100012339963_100000729684 [1,1,0,0,0,0|2,0,0]=4 1627 B21R2.62895 CCc1ccc(c(c1)Br)SCC[C@@H](O)c2ccccc2 62a_100000729684_200009997437 [1,1,0,0,0,0|2,0,0]=4 1628 B21R2.62895 CCc1ccc(c(c1)Br)SCC[C@@H](O)c2ccccc2 62a_200009997437_100000729684 [1,1,0,0,0,0|2,0,0]=4 1629 B21R2.62895 CCc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 2230a_100011226020_100000729684 [1,1,0,0,0,0|2,0,0]=4 1630 B21R2.62895 CCc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 34a_100011226020_100000729684 [1,1,0,0,0,0|2,0,0]=4 1631 B21R2.62895 CCc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 7a_100011226020_100000729684 [1,1,0,0,0,0|2,0,0]=4 1632 B21R2.62895 CCc1ccc(c(c1)F)CNCC(O)c2ccccc2 207a_100000210709_100011156597 [1,1,0,0,0,0|0,0,2]=4 1633 B21R2.62895 CCc1ccc(c(c1)F)CNCC(O)c2ccccc2 270004a_100000210709_100011156597 [1,1,0,0,0,0|0,0,2]=4 1634 B21R2.62895 CCc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 2230a_100016177294_100000729684 [1,1,0,0,0,0|2,0,0]=4 1635 B21R2.62895 CCc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 34a_100016177294_100000729684 [1,1,0,0,0,0|2,0,0]=4 1636 B21R2.62895 CCc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_200010339503 [1,1,0,0,0,0|2,0,0]=4 1637 B21R2.62895 CCc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_200010339503_100000729684 [1,1,0,0,0,0|2,0,0]=4 1638 B21R2.62895 CCc1ccc(c(c1)N)OCC[C@@H](O)c2ccccc2 34a_100000765835_100000729684 [1,1,0,0,0,0|2,0,0]=4 1639 B21R2.62895 CCc1ccc(c(c1)N)OCC[C@@H](O)c2ccccc2 7a_100000765835_100000729684 [1,1,0,0,0,0|2,0,0]=4 1640 B21R2.62895 CCc1ccc(c(c1)O)NCC[C@@H](O)c2ccccc2 34a_100000124328_100000729684 [1,1,0,0,0,0|2,0,0]=4 1641 B21R2.62895 COc1ccc(c(c1)Br)CNCC(O)c2ccccc2 207a_100000210709_100000723261 [1,1,0,0,0,0|0,0,2]=4 1642 B21R2.62895 COc1ccc(c(c1)Br)CNCC(O)c2ccccc2 2230a_100000210709_100011982828 [1,1,0,0,0,0|0,0,2]=4 1643 B21R2.62895 COc1ccc(c(c1)Br)CNCC(O)c2ccccc2 270004a_100000210709_100000723261 [1,1,0,0,0,0|0,0,2]=4 1644 B21R2.62895 COc1ccc(c(c1)Br)COCC(O)c2ccccc2 34a_100011982768_100000185958 [1,1,0,0,0,0|1,0,1]=4 1645 B21R2.62895 COc1ccc(c(c1)Br)COCC(O)c2ccccc2 7a_100011982768_100000185958 [1,1,0,0,0,0|1,0,1]=4 1646 B21R2.62895 COc1ccc(c(c1)Br)COC[C@@H](O)c2ccccc2 34a_100011982768_100011933945 [1,1,0,0,0,0|1,0,1]=4 1647 B21R2.62895 COc1ccc(c(c1)Br)COC[C@@H](O)c2ccccc2 7a_100011982768_100011933945 [1,1,0,0,0,0|1,0,1]=4 1648 B21R2.62895 COc1ccc(c(c1)Br)CSCC(O)c2ccccc2 62a_100000185958_100011982828 [1,1,0,0,0,0|1,0,1]=4 1649 B21R2.62895 COc1ccc(c(c1)Br)CSCC(O)c2ccccc2 62a_100011982828_100000185958 [1,1,0,0,0,0|1,0,1]=4 1650 B21R2.62895 COc1ccc(c(c1)Br)CSC[C@@H](O)c2ccccc2 62a_100011933945_100011982828 [1,1,0,0,0,0|1,0,1]=4 1651 B21R2.62895 COc1ccc(c(c1)Br)CSC[C@@H](O)c2ccccc2 62a_100011982828_100011933945 [1,1,0,0,0,0|1,0,1]=4 1652 B21R2.62895 COc1ccc(c(c1)Br)NCC[C@@H](O)c2ccccc2 34a_100015195136_100000729684 [1,1,0,0,0,0|2,0,0]=4 1653 B21R2.62895 COc1ccc(c(c1)Br)OCC[C@@H](O)c2ccccc2 34a_100000685887_100000729684 [1,1,0,0,0,0|2,0,0]=4 1654 B21R2.62895 COc1ccc(c(c1)Br)OCC[C@@H](O)c2ccccc2 7a_100000685887_100000729684 [1,1,0,0,0,0|2,0,0]=4 1655 B21R2.62895 COc1ccc(c(c1)Br)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012349170 [1,1,0,0,0,0|2,0,0]=4 1656 B21R2.62895 COc1ccc(c(c1)Br)SCC[C@@H](O)c2ccccc2 62a_100012349170_100000729684 [1,1,0,0,0,0|2,0,0]=4 1657 B21R2.62895 COc1ccc(c(c1)C)CNCC(O)c2ccccc2 207a_100000210709_100011214997 [1,1,0,0,0,0|0,0,2]=4 1658 B21R2.62895 COc1ccc(c(c1)C)CNCC(O)c2ccccc2 270004a_100000210709_100011214997 [1,1,0,0,0,0|0,0,2]=4 1659 B21R2.62895 COc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 34a_100000750285_100000729684 [1,1,0,0,0,0|2,0,0]=4 1660 B21R2.62895 COc1ccc(c(c1)C)OCC[C@@H](O)c2ccccc2 34a_100012002223_100000729684 [1,1,0,0,0,0|2,0,0]=4 1661 B21R2.62895 COc1ccc(c(c1)C)OCC[C@@H](O)c2ccccc2 7a_100012002223_100000729684 [1,1,0,0,0,0|2,0,0]=4 1662 B21R2.62895 COc1ccc(c(c1)C)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000759875 [1,1,0,0,0,0|2,0,0]=4 1663 B21R2.62895 COc1ccc(c(c1)C)SCC[C@@H](O)c2ccccc2 62a_100000759875_100000729684 [1,1,0,0,0,0|2,0,0]=4 1664 B21R2.62895 COc1ccc(c(c1)Cl)CNCC(O)c2ccccc2 207a_100000210709_100000235372 [1,1,0,0,0,0|0,0,2]=4 1665 B21R2.62895 COc1ccc(c(c1)Cl)CNCC(O)c2ccccc2 2230a_100000210709_200011830453 [1,1,0,0,0,0|0,0,2]=4 1666 B21R2.62895 COc1ccc(c(c1)Cl)CNCC(O)c2ccccc2 270004a_100000210709_100000235372 [1,1,0,0,0,0|0,0,2]=4 1667 B21R2.62895 COc1ccc(c(c1)Cl)CNCC(O)c2ccccc2 34a_100138410423_100000185958 [1,1,0,0,0,0|0,0,2]=4 1668 B21R2.62895 COc1ccc(c(c1)Cl)CNC[C@@H](O)c2ccccc2 34a_100138410423_100011933945 [1,1,0,0,0,0|0,0,2]=4 1669 B21R2.62895 COc1ccc(c(c1)Cl)COCC(O)c2ccccc2 34a_100011982767_100000185958 [1,1,0,0,0,0|1,0,1]=4 1670 B21R2.62895 COc1ccc(c(c1)Cl)COCC(O)c2ccccc2 7a_100011982767_100000185958 [1,1,0,0,0,0|1,0,1]=4 1671 B21R2.62895 COc1ccc(c(c1)Cl)COC[C@@H](O)c2ccccc2 34a_100011982767_100011933945 [1,1,0,0,0,0|1,0,1]=4 1672 B21R2.62895 COc1ccc(c(c1)Cl)COC[C@@H](O)c2ccccc2 7a_100011982767_100011933945 [1,1,0,0,0,0|1,0,1]=4 1673 B21R2.62895 COc1ccc(c(c1)Cl)CSCC(O)c2ccccc2 62a_100000185958_200011830453 [1,1,0,0,0,0|1,0,1]=4 1674 B21R2.62895 COc1ccc(c(c1)Cl)CSCC(O)c2ccccc2 62a_200011830453_100000185958 [1,1,0,0,0,0|1,0,1]=4 1675 B21R2.62895 COc1ccc(c(c1)Cl)CSC[C@@H](O)c2ccccc2 62a_100011933945_200011830453 [1,1,0,0,0,0|1,0,1]=4 1676 B21R2.62895 COc1ccc(c(c1)Cl)CSC[C@@H](O)c2ccccc2 62a_200011830453_100011933945 [1,1,0,0,0,0|1,0,1]=4 1677 B21R2.62895 COc1ccc(c(c1)Cl)NCC[C@@H](O)c2ccccc2 34a_100000747055_100000729684 [1,1,0,0,0,0|2,0,0]=4 1678 B21R2.62895 COc1ccc(c(c1)Cl)OCC[C@@H](O)c2ccccc2 34a_100000038596_100000729684 [1,1,0,0,0,0|2,0,0]=4 1679 B21R2.62895 COc1ccc(c(c1)Cl)OCC[C@@H](O)c2ccccc2 7a_100000038596_100000729684 [1,1,0,0,0,0|2,0,0]=4 1680 B21R2.62895 COc1ccc(c(c1)F)CNCC(O)c2ccccc2 207a_100000210709_100011216087 [1,1,0,0,0,0|0,0,2]=4 1681 B21R2.62895 COc1ccc(c(c1)F)CNCC(O)c2ccccc2 2230a_100000210709_100011260761 [1,1,0,0,0,0|0,0,2]=4 1682 B21R2.62895 COc1ccc(c(c1)F)CNCC(O)c2ccccc2 270004a_100000210709_100011216087 [1,1,0,0,0,0|0,0,2]=4 1683 B21R2.62895 COc1ccc(c(c1)F)CNCC(O)c2ccccc2 34a_100000687396_100000185958 [1,1,0,0,0,0|0,0,2]=4 1684 B21R2.62895 COc1ccc(c(c1)F)CNC[C@@H](O)c2ccccc2 34a_100000687396_100011933945 [1,1,0,0,0,0|0,0,2]=4 1685 B21R2.62895 COc1ccc(c(c1)F)COCC(O)c2ccccc2 34a_100011830421_100000185958 [1,1,0,0,0,0|1,0,1]=4 1686 B21R2.62895 COc1ccc(c(c1)F)COCC(O)c2ccccc2 7a_100011830421_100000185958 [1,1,0,0,0,0|1,0,1]=4 1687 B21R2.62895 COc1ccc(c(c1)F)COC[C@@H](O)c2ccccc2 34a_100011830421_100011933945 [1,1,0,0,0,0|1,0,1]=4 1688 B21R2.62895 COc1ccc(c(c1)F)COC[C@@H](O)c2ccccc2 7a_100011830421_100011933945 [1,1,0,0,0,0|1,0,1]=4 1689 B21R2.62895 COc1ccc(c(c1)F)CSCC(O)c2ccccc2 62a_100000185958_100011260761 [1,1,0,0,0,0|1,0,1]=4 1690 B21R2.62895 COc1ccc(c(c1)F)CSCC(O)c2ccccc2 62a_100011260761_100000185958 [1,1,0,0,0,0|1,0,1]=4 1691 B21R2.62895 COc1ccc(c(c1)F)CSC[C@@H](O)c2ccccc2 62a_100011260761_100011933945 [1,1,0,0,0,0|1,0,1]=4 1692 B21R2.62895 COc1ccc(c(c1)F)CSC[C@@H](O)c2ccccc2 62a_100011933945_100011260761 [1,1,0,0,0,0|1,0,1]=4 1693 B21R2.62895 COc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 34a_100011299463_100000729684 [1,1,0,0,0,0|2,0,0]=4 1694 B21R2.62895 COc1ccc(c(c1)F)OCC[C@@H](O)c2ccccc2 34a_100000036999_100000729684 [1,1,0,0,0,0|2,0,0]=4 1695 B21R2.62895 COc1ccc(c(c1)F)OCC[C@@H](O)c2ccccc2 7a_100000036999_100000729684 [1,1,0,0,0,0|2,0,0]=4 1696 B21R2.62895 COc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000753793 [1,1,0,0,0,0|2,0,0]=4 1697 B21R2.62895 COc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000753793_100000729684 [1,1,0,0,0,0|2,0,0]=4 1698 B21R2.62895 COc1ccc(c(c1)I)CNCC(O)c2ccccc2 207a_100000210709_100010159643 [1,1,0,0,0,0|0,0,2]=4 1699 B21R2.62895 COc1ccc(c(c1)I)CNCC(O)c2ccccc2 270004a_100000210709_100010159643 [1,1,0,0,0,0|0,0,2]=4 1700 B21R2.62895 COc1ccc(c(c1)I)NCC[C@@H](O)c2ccccc2 34a_100000049804_100000729684 [1,1,0,0,0,0|2,0,0]=4 1701 B21R2.62895 COc1ccc(c(c1)N)COCC(O)c2ccccc2 34a_100011998734_100000185958 [1,1,0,0,0,0|1,0,1]=4 1702 B21R2.62895 COc1ccc(c(c1)N)COC[C@@H](O)c2ccccc2 34a_100011998734_100011933945 [1,1,0,0,0,0|1,0,1]=4 1703 B21R2.62895 COc1ccc(c(c1)N)OCC[C@@H](O)c2ccccc2 34a_100000188146_100000729684 [1,1,0,0,0,0|2,0,0]=4 1704 B21R2.62895 COc1ccc(c(c1)N)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000748021 [1,1,0,0,0,0|2,0,0]=4 1705 B21R2.62895 COc1ccc(c(c1)N)SCC[C@@H](O)c2ccccc2 62a_100000748021_100000729684 [1,1,0,0,0,0|2,0,0]=4 1706 B21R2.62895 COc1ccc(c(c1)O)NCC[C@@H](O)c2ccccc2 34a_100016989039_100000729684 [1,1,0,0,0,0|2,0,0]=4 1707 B21R2.62895 COc1ccc(c(c1)O)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000719091 [1,1,0,0,0,0|2,0,0]=4 1708 B21R2.2527 CCCc1ccc(cc1)C=NNCc2cccc(c2)Br 4a_100000686200_100000229940 [1,1,0,0,0,0|2,0,0]=4 1709 B21R2.2527 CCCc1ccc(cc1)C=NNCc2cccc(c2)Cl 4a_100000685877_100000229940 [1,1,0,0,0,0|2,0,0]=4 1710 B21R2.2527 CCCc1ccc(cc1)C=NNCc2cccc(c2)F 4a_100016993953_100000229940 [1,1,0,0,0,0|2,0,0]=4 1711 B21R2.2527 CCOc1ccc(cc1)C=NNCc2cccc(c2)Br 4a_100000686200_100000169836 [1,1,0,0,0,0|1,0,0]=3 1712 B21R2.2527 CCOc1ccc(cc1)C=NNCc2cccc(c2)Cl 4a_100000685877_100000169836 [1,1,0,0,0,0|1,0,0]=3 1713 B21R2.2527 CCOc1ccc(cc1)C=NNCc2cccc(c2)F 4a_100016993953_100000169836 [1,1,0,0,0,0|1,0,0]=3 1714 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Br 207a_100011207229_100000169836 [1,1,0,0,0,0|0,0,2]=4 1715 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Br 2230a_100000185588_100011740638 [1,1,0,0,0,0|0,0,2]=4 1716 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Br 270004a_100011207229_100000169836 [1,1,0,0,0,0|0,0,2]=4 1717 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Br 34a_100000185588_100011740638 [1,1,0,0,0,0|0,0,2]=4 1718 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)C 207a_100000749837_100000169836 [1,1,0,0,0,0|0,0,2]=4 1719 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)C 2230a_100000185588_100011713685 [1,1,0,0,0,0|0,0,2]=4 1720 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)C 270004a_100000749837_100000169836 [1,1,0,0,0,0|0,0,2]=4 1721 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)C 34a_100000185588_100011713685 [1,1,0,0,0,0|0,0,2]=4 1722 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Cl 207a_100000185263_100000169836 [1,1,0,0,0,0|0,0,2]=4 1723 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Cl 2230a_100000185588_100011713710 [1,1,0,0,0,0|0,0,2]=4 1724 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Cl 270004a_100000185263_100000169836 [1,1,0,0,0,0|0,0,2]=4 1725 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)Cl 34a_100000185588_100011713710 [1,1,0,0,0,0|0,0,2]=4 1726 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)F 207a_100000205154_100000169836 [1,1,0,0,0,0|0,0,2]=4 1727 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)F 2230a_100000185588_100011217235 [1,1,0,0,0,0|0,0,2]=4 1728 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)F 270004a_100000205154_100000169836 [1,1,0,0,0,0|0,0,2]=4 1729 B21R2.2527 CCOc1ccc(cc1)CNCCc2cccc(c2)F 34a_100000185588_100011217235 [1,1,0,0,0,0|0,0,2]=4 1730 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)Br 34a_100000173027_100011740638 [1,1,0,0,0,0|1,0,1]=4 1731 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)Br 7a_100000173027_100011740638 [1,1,0,0,0,0|1,0,1]=4 1732 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)C 34a_100000173027_100011713685 [1,1,0,0,0,0|1,0,1]=4 1733 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)C 7a_100000173027_100011713685 [1,1,0,0,0,0|1,0,1]=4 1734 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)Cl 34a_100000173027_100011713710 [1,1,0,0,0,0|1,0,1]=4 1735 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)Cl 7a_100000173027_100011713710 [1,1,0,0,0,0|1,0,1]=4 1736 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)F 34a_100000173027_100011217235 [1,1,0,0,0,0|1,0,1]=4 1737 B21R2.2527 CCOc1ccc(cc1)COCCc2cccc(c2)F 7a_100000173027_100011217235 [1,1,0,0,0,0|1,0,1]=4 1738 B21R2.2527 CCOc1ccc(cc1)NCCCc2cccc(c2)Br 2230a_100000739623_100011713683 [1,1,0,0,0,0|2,0,0]=4 1739 B21R2.2527 CCOc1ccc(cc1)NCCCc2cccc(c2)Br 34a_100000739623_100011713683 [1,1,0,0,0,0|2,0,0]=4 1740 B21R2.2527 CCOc1ccc(cc1)NCCCc2cccc(c2)F 2230a_100000739623_200000698031 [1,1,0,0,0,0|2,0,0]=4 1741 B21R2.2527 CCOc1ccc(cc1)NCCCc2cccc(c2)F 34a_100000739623_200000698031 [1,1,0,0,0,0|2,0,0]=4 1742 B21R2.2527 CCOc1ccc(cc1)NN=CCc2cccc(c2)Br 4a_100000738955_200000698211 [1,1,0,0,0,0|1,0,1]=4 1743 B21R2.2527 CCOc1ccc(cc1)NN=CCc2cccc(c2)Cl 4a_100000738955_100000765889 [1,1,0,0,0,0|1,0,1]=4 1744 B21R2.2527 CCOc1ccc(cc1)NN=CCc2cccc(c2)F 4a_100000738955_100011713417 [1,1,0,0,0,0|1,0,1]=4 1745 B21R2.2527 CCOc1ccc(cc1)OCCCc2cccc(c2)Br 34a_100000185467_100011713683 [1,1,0,0,0,0|2,0,0]=4 1746 B21R2.2527 CCOc1ccc(cc1)OCCCc2cccc(c2)F 34a_100000185467_200000698031 [1,1,0,0,0,0|2,0,0]=4 1747 B21R2.2527 CCOc1ccc(cc1)SCCCc2cccc(c2)Br 62a_100011713683_100000171712 [1,1,0,0,0,0|2,0,0]=4 1748 B21R2.2527 CCOc1ccc(cc1)SCCCc2cccc(c2)F 62a_200000698031_100000171712 [1,1,0,0,0,0|2,0,0]=4 1749 B21R2.2527 CCOc1ccc(cn1)C=NNCc2cccc(c2)Br 4a_100000686200_100012002837 [1,1,0,0,0,0|2,0,0]=4 1750 B21R2.2527 CCOc1ccc(cn1)C=NNCc2cccc(c2)Cl 4a_100000685877_100012002837 [1,1,0,0,0,0|2,0,0]=4 1751 B21R2.2527 CCOc1ccc(cn1)C=NNCc2cccc(c2)F 4a_100016993953_100012002837 [1,1,0,0,0,0|2,0,0]=4 1752 B21R2.2563 CCOc1ccc(cc1)CC(=O)CCc2ccccc2 1458a_100000183096_100000765856 [1,1,0,0,0,0|1,0,1]=4 1753 B21R2.2563 CCOc1ccc(cc1)CN(C)CCc2ccccc2 2230a_100000180828_100000765856 [1,1,0,0,0,0|0,0,2]=4 1754 B21R2.2563 CCOc1ccc(cc1)CN(C)CCc2ccccc2 269982a_100000180828_100000765856 [1,1,0,0,0,0|0,0,2]=4 1755 B21R2.2563 CCOc1ccc(cc1)CN(C)CCc2ccccc2 270004a_100000207497_100000169836 [1,1,0,0,0,0|0,0,2]=4 1756 B21R2.2563 CCOc1ccc(cc1)NC(=O)CCc2ccccc2 11a_100000739623_100000185753 [1,1,0,0,0,0|2,0,0]=4 1757 B21R2.2563 CCOc1ccc(cc1)NC(=O)CCc2ccccc2 1626a_100000739623_100000185753 [1,1,0,0,0,0|2,0,0]=4 1758 B21R2.2563 CCOc1ccc(cc1)NC(=O)CCc2ccccc2 22a_100000739623_100000185753 [1,1,0,0,0,0|2,0,0]=4 1759 B21R2.2563 CCOc1ccc(cc1)NC(=O)CCc2ccccc2 527a_100000739623_100000185753 [1,1,0,0,0,0|2,0,0]=4 1760 B21R2.2579 CCCc1ccc(cc1)C(=NNCc2ccccc2)C 4a_100000007032_100000211850 [1,1,0,0,0,0|2,0,0]=4 1761 B21R2.2579 CCCc1ccc(cc1)C(=O)CCCc2ccccc2 1458a_100011207308_100000211621 [1,1,0,0,0,0|2,0,0]=4 1762 B21R2.2579 CCCc1ccc(cc1)C(=O)NCCc2ccccc2 11a_100000106460_100011207308 [1,1,0,0,0,0|1,0,1]=4 1763 B21R2.2579 CCCc1ccc(cc1)C(=O)NCCc2ccccc2 1626a_100000106460_100011207308 [1,1,0,0,0,0|1,0,1]=4 1764 B21R2.2579 CCCc1ccc(cc1)C(=O)NCCc2ccccc2 240690a_100000106460_100011207308 [1,1,0,0,0,0|1,0,1]=4 1765 B21R2.2579 CCCc1ccc(cc1)C(=O)NCCc2ccccc2 527a_100000106460_100011207308 [1,1,0,0,0,0|1,0,1]=4 1766 B21R2.2579 CCNc1ccc(cc1)C(=O)NCCc2ccccc2 2230a_100000490053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1767 B21R2.2579 CCNc1ccc(cc1)C(=O)NCCc2ccccc2 34a_100000490053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1768 B21R2.2579 CCNc1ccc(cc1)C(=O)NCCc2ccccc2 7a_100000490053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1769 B21R2.2579 CCOc1ccc(cc1)C(=NNCc2ccccc2)C 4a_100000007032_100000169860 [1,1,0,0,0,0|1,0,0]=3 1770 B21R2.2579 CCOc1ccc(cc1)C(=NNCc2ccccn2)C 4a_100000736832_100000169860 [1,1,0,0,0,0|2,0,0]=4 1771 B21R2.2579 CCOc1ccc(cc1)C(=NNCc2cccnc2)C 4a_100000738295_100000169860 [1,1,0,0,0,0|2,0,0]=4 1772 B21R2.2579 CCOc1ccc(cc1)C(=NNCc2ccncc2)C 4a_100000736929_100000169860 [1,1,0,0,0,0|2,0,0]=4 1773 B21R2.2579 CCOc1ccc(cc1)C(=O)CCCc2ccccc2 1458a_100000181891_100000211621 [1,1,0,0,0,0|1,0,0]=3 1774 B21R2.2579 CCOc1ccc(cc1)C(=O)CCOc2ccccc2 1458a_100000181891_100000184471 [1,1,0,0,0,0|2,0,0]=4 1775 B21R2.2579 CCOc1ccc(cc1)C(=O)CCSc2ccccc2 1458a_100000181891_100000246102 [1,1,0,0,0,0|2,0,0]=4 1776 B21R2.2579 CCOc1ccc(cc1)C(=O)CNCc2ccccc2 2230a_100015324214_100000203716 [1,1,0,0,0,0|2,0,0]=4 1777 B21R2.2579 CCOc1ccc(cc1)C(=O)COCc2ccccc2 7a_100000210790_100000203716 [1,1,0,0,0,0|2,0,0]=4 1778 B21R2.2579 CCOc1ccc(cc1)C(=O)CSCc2ccccc2 1458a_100000181891_200011217039 [1,1,0,0,0,0|2,0,0]=4 1779 B21R2.2579 CCOc1ccc(cc1)C(=O)CSCc2ccccc2 62a_100000203716_100015291786 [1,1,0,0,0,0|2,0,0]=4 1780 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccc2 11a_100000106460_100000181891 [1,1,0,0,0,0|0,0,1]=3 1781 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccc2 1626a_100000106460_100000181891 [1,1,0,0,0,0|0,0,1]=3 1782 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccc2 240690a_100000106460_100000181891 [1,1,0,0,0,0|0,0,1]=3 1783 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccc2 527a_100000106460_100000181891 [1,1,0,0,0,0|0,0,1]=3 1784 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccn2 11a_100000211156_100000181891 [1,1,0,0,0,0|1,0,1]=4 1785 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccn2 1626a_100000211156_100000181891 [1,1,0,0,0,0|1,0,1]=4 1786 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccn2 240690a_100000211156_100000181891 [1,1,0,0,0,0|1,0,1]=4 1787 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccccn2 527a_100000211156_100000181891 [1,1,0,0,0,0|1,0,1]=4 1788 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2cccnc2 11a_100000736294_100000181891 [1,1,0,0,0,0|1,0,1]=4 1789 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2cccnc2 1626a_100000736294_100000181891 [1,1,0,0,0,0|1,0,1]=4 1790 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2cccnc2 240690a_100000736294_100000181891 [1,1,0,0,0,0|1,0,1]=4 1791 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2cccnc2 527a_100000736294_100000181891 [1,1,0,0,0,0|1,0,1]=4 1792 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccncc2 11a_100000742849_100000181891 [1,1,0,0,0,0|1,0,1]=4 1793 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccncc2 1626a_100000742849_100000181891 [1,1,0,0,0,0|1,0,1]=4 1794 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccncc2 240690a_100000742849_100000181891 [1,1,0,0,0,0|1,0,1]=4 1795 B21R2.2579 CCOc1ccc(cc1)C(=O)NCCc2ccncc2 527a_100000742849_100000181891 [1,1,0,0,0,0|1,0,1]=4 1796 B21R2.2579 CCOc1ccc(cc1)C(=O)NNCc2ccccc2 22a_100000007032_100000181891 [1,1,0,0,0,0|1,0,1]=4 1797 B21R2.2579 CCOc1ccc(cc1)C(C)NCCc2ccccc2 2230a_100000740525_100000765856 [1,1,0,0,0,0|0,0,2]=4 1798 B21R2.2579 CCOc1ccc(cc1)C(C)NCCc2ccccc2 269862a_100000106460_100000169860 [1,1,0,0,0,0|0,0,2]=4 1799 B21R2.2579 CCOc1ccc(cc1)N(C)CCCc2ccccc2 2230a_100025784348_100000211621 [1,1,0,0,0,0|2,0,0]=4 1800 B21R2.2579 CCOc1ccc(cc1)N(C)CCCc2ccccc2 269982a_100025784348_100000211621 [1,1,0,0,0,0|2,0,0]=4 1801 B21R2.2579 CCOc1ccc(cc1)N(C)CCCc2ccccc2 34a_100025784348_100000211621 [1,1,0,0,0,0|2,0,0]=4 1802 B21R2.2579 CCOc1ccc(cc1)[C@@H](C)OCCc2ccccc2 34a_100000761365_100000765856 [1,1,0,0,0,0|1,0,1]=4 1803 B21R2.2579 CCOc1ccc(cc1)[C@@H](C)OCCc2ccccc2 7a_100000761365_100000765856 [1,1,0,0,0,0|1,0,1]=4 1804 B21R2.2579 CCOc1ccc(cn1)C(=NNCc2ccccc2)C 4a_100000007032_200012002814 [1,1,0,0,0,0|2,0,0]=4 1805 B21R2.2579 CCSc1ccc(cc1)C(=NNCc2ccccc2)C 4a_100000007032_100000693305 [1,1,0,0,0,0|1,1,0]=4 1806 B21R2.2579 CCSc1ccc(cc1)C(=O)CCCc2ccccc2 1458a_100000244969_100000211621 [1,1,0,0,0,0|1,1,0]=4 1807 B21R2.2579 CCSc1ccc(cc1)C(=O)NCCc2ccccc2 11a_100000106460_100000244969 [1,1,0,0,0,0|0,1,1]=4 1808 B21R2.2579 CCSc1ccc(cc1)C(=O)NCCc2ccccc2 1626a_100000106460_100000244969 [1,1,0,0,0,0|0,1,1]=4 1809 B21R2.2579 CCSc1ccc(cc1)C(=O)NCCc2ccccc2 240690a_100000106460_100000244969 [1,1,0,0,0,0|0,1,1]=4 1810 B21R2.2579 CCSc1ccc(cc1)C(=O)NCCc2ccccc2 527a_100000106460_100000244969 [1,1,0,0,0,0|0,1,1]=4 1811 B21R2.3453 C#CCOc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000172624 [1,1,0,0,0,0|1,0,1]=4 1812 B21R2.3453 C=CCOc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000172049 [1,1,0,0,0,0|1,0,1]=4 1813 B21R2.3453 CCCCc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100011219593 [1,1,0,0,0,0|2,0,0]=4 1814 B21R2.3453 CCCOc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000169838 [1,1,0,0,0,0|1,0,0]=3 1815 B21R2.3453 CCCOc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000169838 [1,1,0,0,0,0|2,0,0]=4 1816 B21R2.3453 CCCOc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000169838 [1,1,0,0,0,0|2,0,0]=4 1817 B21R2.3453 CCCOc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000169838 [1,1,0,0,0,0|2,0,0]=4 1818 B21R2.3453 CCCOc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000169838 [1,1,0,0,0,0|0,0,2]=4 1819 B21R2.3453 CCCOc1ccc(cc1)CNCCc2ccccc2 2230a_100000106460_100000691472 [1,1,0,0,0,0|0,0,2]=4 1820 B21R2.3453 CCCOc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000169838 [1,1,0,0,0,0|0,0,2]=4 1821 B21R2.3453 CCCOc1ccc(cc1)CNCCc2ccccc2 34a_100000106460_100000691472 [1,1,0,0,0,0|0,0,2]=4 1822 B21R2.3453 CCCOc1ccc(cc1)COCCc2ccccc2 34a_100000173360_100000765856 [1,1,0,0,0,0|1,0,1]=4 1823 B21R2.3453 CCCOc1ccc(cc1)COCCc2ccccc2 34a_100000210268_100000691472 [1,1,0,0,0,0|1,0,1]=4 1824 B21R2.3453 CCCOc1ccc(cc1)COCCc2ccccc2 7a_100000173360_100000765856 [1,1,0,0,0,0|1,0,1]=4 1825 B21R2.3453 CCCOc1ccc(cc1)COCCc2ccccc2 7a_100000210268_100000691472 [1,1,0,0,0,0|1,0,1]=4 1826 B21R2.3453 CCCOc1ccc(cc1)CSCCc2ccccc2 62a_100000765856_100000691472 [1,1,0,0,0,0|1,0,1]=4 1827 B21R2.3453 CCCOc1ccc(cc1)NCCCc2ccccc2 34a_100000748631_100000211621 [1,1,0,0,0,0|2,0,0]=4 1828 B21R2.3453 CCCOc1ccc(cc1)OCCCc2ccccc2 34a_100000185468_100000211621 [1,1,0,0,0,0|2,0,0]=4 1829 B21R2.3453 CCCOc1ccc(cc1)OCCCc2ccccc2 7a_100000185468_100000211621 [1,1,0,0,0,0|2,0,0]=4 1830 B21R2.3453 CCCOc1ccc(cc1)SCCCc2ccccc2 62a_100000169948_100000211621 [1,1,0,0,0,0|2,0,0]=4 1831 B21R2.3453 CCCOc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000169948 [1,1,0,0,0,0|2,0,0]=4 1832 B21R2.3453 CCOCc1ccc(cc1)CNCCc2ccccc2 2230a_100000737407_100000765856 [1,1,0,0,0,0|0,0,2]=4 1833 B21R2.3453 CCOCc1ccc(cc1)CNCCc2ccccc2 34a_100000737407_100000765856 [1,1,0,0,0,0|0,0,2]=4 1834 B21R2.3453 CCOCc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000758564 [1,1,0,0,0,0|2,0,0]=4 1835 B21R2.3453 CCOCc1ccc(cc1)SCCCc2ccccc2 62a_100000758564_100000211621 [1,1,0,0,0,0|2,0,0]=4 1836 B21R2.3453 COCOc1ccc(cc1)OCCCc2ccccc2 34a_200012265912_100000211621 [1,1,0,0,0,0|2,0,0]=4 1837 B21R2.3453 COCOc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100012265687 [1,1,0,0,0,0|2,0,0]=4 1838 B21R2.3453 COCOc1ccc(cc1)SCCCc2ccccc2 62a_100012265687_100000211621 [1,1,0,0,0,0|2,0,0]=4 1839 B21R2.3453 FCCOc1ccc(cc1)NCCCc2ccccc2 34a_100012282086_100000211621 [1,1,0,0,0,0|2,0,0]=4 1840 B21R2.3453 FCCOc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100012347556 [1,1,0,0,0,0|2,0,0]=4 1841 B21R2.3453 FCCOc1ccc(cc1)SCCCc2ccccc2 62a_100012347556_100000211621 [1,1,0,0,0,0|2,0,0]=4 1842 B21R2.3453 N#CCOc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000169417 [1,1,0,0,0,0|1,0,1]=4 1843 B21R2.3453 NCCOc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000746992 [1,1,0,0,0,0|2,0,0]=4 1844 B21R2.3453 NCCOc1ccc(cc1)SCCCc2ccccc2 62a_100000746992_100000211621 [1,1,0,0,0,0|2,0,0]=4 1845 B21R2.3453 OCCOc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100011219967 [1,1,0,0,0,0|1,0,0]=3 1846 B21R2.3453 OCCOc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100011219967 [1,1,0,0,0,0|2,0,0]=4 1847 B21R2.3453 OCCOc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100011219967 [1,1,0,0,0,0|2,0,0]=4 1848 B21R2.3453 OCCOc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100011219967 [1,1,0,0,0,0|2,0,0]=4 1849 B21R2.3453 OCCOc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100011219967 [1,1,0,0,0,0|0,0,2]=4 1850 B21R2.3453 OCCOc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100011219967 [1,1,0,0,0,0|0,0,2]=4 1851 B21R2.3453 OCCOc1ccc(cc1)NCCCc2ccccc2 2230a_100000754363_100000211621 [1,1,0,0,0,0|2,0,0]=4 1852 B21R2.3453 OCCOc1ccc(cc1)NCCCc2ccccc2 34a_100000754363_100000211621 [1,1,0,0,0,0|2,0,0]=4 1853 B21R2.3453 OCCOc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000686261 [1,1,0,0,0,0|2,0,0]=4 1854 B21R2.3453 OCCOc1ccc(cc1)SCCCc2ccccc2 62a_100000686261_100000211621 [1,1,0,0,0,0|2,0,0]=4 1855 B21R2.4643 CCOc1ccc(cc1)C=CC(=O)Cc2ccccc2 1458a_100000690215_100015291786 [1,1,0,0,0,0|1,0,1]=4 1856 B21R2.4643 CCOc1ccc(cc1)CNC(C)Cc2ccccc2 34a_100000185588_200011218536 [1,1,0,0,0,0|0,0,2]=4 1857 B21R2.4643 CCOc1ccc(cc1)COC(C)Cc2ccccc2 34a_100000173027_200011218536 [1,1,0,0,0,0|1,0,1]=4 1858 B21R2.4643 CCOc1ccc(cc1)COC(C)Cc2ccccc2 7a_100000173027_200011218536 [1,1,0,0,0,0|1,0,1]=4 1859 B21R2.4643 CCOc1ccc(cc1)NC[C@@H](O)Cc2ccccc2 2230a_100000739623_100000729385 [1,1,0,0,0,0|2,0,0]=4 1860 B21R2.4643 CCOc1ccc(cc1)NC[C@@H](O)Cc2ccccc2 34a_100000739623_100000729385 [1,1,0,0,0,0|2,0,0]=4 1861 B21R2.4643 CCOc1ccc(cc1)OC[C@@H](O)Cc2ccccc2 34a_100000185467_100000729385 [1,1,0,0,0,0|2,0,0]=4 1862 B21R2.4643 CCOc1ccc(cc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000171712 [1,1,0,0,0,0|2,0,0]=4 1863 B21R2.4675 CCCc1ccc(cc1)C=NNCc2ccc(cc2)Br 4a_100016993955_100000229940 [1,1,0,0,0,0|2,0,0]=4 1864 B21R2.4675 CCCc1ccc(cc1)C=NNCc2ccc(cc2)C 4a_100011197965_100000229940 [1,1,0,0,0,0|2,0,0]=4 1865 B21R2.4675 CCCc1ccc(cc1)C=NNCc2ccc(cc2)Cl 4a_100000689899_100000229940 [1,1,0,0,0,0|2,0,0]=4 1866 B21R2.4675 CCCc1ccc(cc1)C=NNCc2ccc(cc2)F 4a_100000689900_100000229940 [1,1,0,0,0,0|2,0,0]=4 1867 B21R2.4675 CCCc1ccc(cc1)C=NNCc2ccc(cc2)I 4a_102495363730_100000229940 [1,1,0,0,0,0|2,0,0]=4 1868 B21R2.4675 CCOc1ccc(cc1)C=NNCc2ccc(cc2)Br 4a_100016993955_100000169836 [1,1,0,0,0,0|1,0,0]=3 1869 B21R2.4675 CCOc1ccc(cc1)C=NNCc2ccc(cc2)C 4a_100011197965_100000169836 [1,1,0,0,0,0|1,0,0]=3 1870 B21R2.4675 CCOc1ccc(cc1)C=NNCc2ccc(cc2)Cl 4a_100000689899_100000169836 [1,1,0,0,0,0|1,0,0]=3 1871 B21R2.4675 CCOc1ccc(cc1)C=NNCc2ccc(cc2)F 4a_100000689900_100000169836 [1,1,0,0,0,0|1,0,0]=3 1872 B21R2.4675 CCOc1ccc(cc1)C=NNCc2ccc(cc2)I 4a_102495363730_100000169836 [1,1,0,0,0,0|1,0,0]=3 1873 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Br 207a_100000755846_100000169836 [1,1,0,0,0,0|0,0,2]=4 1874 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Br 2230a_100000185588_100011740612 [1,1,0,0,0,0|0,0,2]=4 1875 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Br 270004a_100000755846_100000169836 [1,1,0,0,0,0|0,0,2]=4 1876 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Br 34a_100000185588_100011740612 [1,1,0,0,0,0|0,0,2]=4 1877 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)C 207a_100000705350_100000169836 [1,1,0,0,0,0|0,0,2]=4 1878 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)C 2230a_100000185588_100011713686 [1,1,0,0,0,0|0,0,2]=4 1879 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)C 270004a_100000705350_100000169836 [1,1,0,0,0,0|0,0,2]=4 1880 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)C 34a_100000185588_100011713686 [1,1,0,0,0,0|0,0,2]=4 1881 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Cl 207a_100000185265_100000169836 [1,1,0,0,0,0|0,0,2]=4 1882 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Cl 2230a_100000185588_100011713675 [1,1,0,0,0,0|0,0,2]=4 1883 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Cl 270004a_100000185265_100000169836 [1,1,0,0,0,0|0,0,2]=4 1884 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Cl 34a_100000185588_100011713675 [1,1,0,0,0,0|0,0,2]=4 1885 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)F 207a_100000199005_100000169836 [1,1,0,0,0,0|0,0,2]=4 1886 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)F 2230a_100000185588_100011217392 [1,1,0,0,0,0|0,0,2]=4 1887 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)F 270004a_100000199005_100000169836 [1,1,0,0,0,0|0,0,2]=4 1888 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)F 34a_100000185588_100011217392 [1,1,0,0,0,0|0,0,2]=4 1889 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)O 207a_100000743037_100000169836 [1,1,0,0,0,0|0,0,2]=4 1890 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)O 2230a_100000185588_100009816426 [1,1,0,0,0,0|0,0,2]=4 1891 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)O 270004a_100000743037_100000169836 [1,1,0,0,0,0|0,0,2]=4 1892 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)Br 34a_100000173027_100011740612 [1,1,0,0,0,0|1,0,1]=4 1893 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)Br 7a_100000173027_100011740612 [1,1,0,0,0,0|1,0,1]=4 1894 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)C 34a_100000173027_100011713686 [1,1,0,0,0,0|1,0,1]=4 1895 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)C 7a_100000173027_100011713686 [1,1,0,0,0,0|1,0,1]=4 1896 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)Cl 34a_100000173027_100011713675 [1,1,0,0,0,0|1,0,1]=4 1897 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)Cl 7a_100000173027_100011713675 [1,1,0,0,0,0|1,0,1]=4 1898 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)F 34a_100000173027_100011217392 [1,1,0,0,0,0|1,0,1]=4 1899 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)F 7a_100000173027_100011217392 [1,1,0,0,0,0|1,0,1]=4 1900 B21R2.4675 CCOc1ccc(cc1)COCCc2ccc(cc2)O 7a_100000173027_100009816426 [1,1,0,0,0,0|1,0,1]=4 1901 B21R2.4675 CCOc1ccc(cc1)NCCCc2ccc(cc2)Br 2230a_100000739623_100011713682 [1,1,0,0,0,0|2,0,0]=4 1902 B21R2.4675 CCOc1ccc(cc1)NCCCc2ccc(cc2)Br 34a_100000739623_100011713682 [1,1,0,0,0,0|2,0,0]=4 1903 B21R2.4675 CCOc1ccc(cc1)NCCCc2ccc(cc2)Cl 2230a_100000739623_100000759440 [1,1,0,0,0,0|2,0,0]=4 1904 B21R2.4675 CCOc1ccc(cc1)NCCCc2ccc(cc2)Cl 34a_100000739623_100000759440 [1,1,0,0,0,0|2,0,0]=4 1905 B21R2.4675 CCOc1ccc(cc1)NCCCc2ccc(cc2)F 2230a_100000739623_200011713563 [1,1,0,0,0,0|2,0,0]=4 1906 B21R2.4675 CCOc1ccc(cc1)NCCCc2ccc(cc2)F 34a_100000739623_200011713563 [1,1,0,0,0,0|2,0,0]=4 1907 B21R2.4675 CCOc1ccc(cc1)NN=CCc2ccc(cc2)Br 4a_100000738955_100011361690 [1,1,0,0,0,0|1,0,1]=4 1908 B21R2.4675 CCOc1ccc(cc1)NN=CCc2ccc(cc2)C 4a_100000738955_100011361684 [1,1,0,0,0,0|1,0,1]=4 1909 B21R2.4675 CCOc1ccc(cc1)NN=CCc2ccc(cc2)Cl 4a_100000738955_100000730895 [1,1,0,0,0,0|1,0,1]=4 1910 B21R2.4675 CCOc1ccc(cc1)NN=CCc2ccc(cc2)F 4a_100000738955_100000684651 [1,1,0,0,0,0|1,0,1]=4 1911 B21R2.4675 CCOc1ccc(cc1)OCCCc2ccc(cc2)Br 34a_100000185467_100011713682 [1,1,0,0,0,0|2,0,0]=4 1912 B21R2.4675 CCOc1ccc(cc1)OCCCc2ccc(cc2)Cl 34a_100000185467_100000759440 [1,1,0,0,0,0|2,0,0]=4 1913 B21R2.4675 CCOc1ccc(cc1)OCCCc2ccc(cc2)F 34a_100000185467_200011713563 [1,1,0,0,0,0|2,0,0]=4 1914 B21R2.4675 CCOc1ccc(cc1)SCCCc2ccc(cc2)Br 62a_100011713682_100000171712 [1,1,0,0,0,0|2,0,0]=4 1915 B21R2.4675 CCOc1ccc(cc1)SCCCc2ccc(cc2)Cl 62a_100000759440_100000171712 [1,1,0,0,0,0|2,0,0]=4 1916 B21R2.4675 CCOc1ccc(cc1)SCCCc2ccc(cc2)F 62a_200011713563_100000171712 [1,1,0,0,0,0|2,0,0]=4 1917 B21R2.4675 CCOc1ccc(cn1)C=NNCc2ccc(cc2)Br 4a_100016993955_100012002837 [1,1,0,0,0,0|2,0,0]=4 1918 B21R2.4675 CCOc1ccc(cn1)C=NNCc2ccc(cc2)C 4a_100011197965_100012002837 [1,1,0,0,0,0|2,0,0]=4 1919 B21R2.4675 CCOc1ccc(cn1)C=NNCc2ccc(cc2)Cl 4a_100000689899_100012002837 [1,1,0,0,0,0|2,0,0]=4 1920 B21R2.4675 CCOc1ccc(cn1)C=NNCc2ccc(cc2)F 4a_100000689900_100012002837 [1,1,0,0,0,0|2,0,0]=4 1921 B21R2.4675 CCOc1ccc(cn1)C=NNCc2ccc(cc2)I 4a_102495363730_100012002837 [1,1,0,0,0,0|2,0,0]=4 1922 B21R2.14318 CCOc1ccc(c(c1)Br)C=NNCc2ccccc2 4a_100000007032_200012721597 [1,1,0,0,0,0|1,0,0]=3 1923 B21R2.14318 CCOc1ccc(c(c1)Br)C=NNCc2ccccn2 4a_100000736832_200012721597 [1,1,0,0,0,0|2,0,0]=4 1924 B21R2.14318 CCOc1ccc(c(c1)Br)C=NNCc2cccnc2 4a_100000738295_200012721597 [1,1,0,0,0,0|2,0,0]=4 1925 B21R2.14318 CCOc1ccc(c(c1)Br)C=NNCc2ccncc2 4a_100000736929_200012721597 [1,1,0,0,0,0|2,0,0]=4 1926 B21R2.14318 CCOc1ccc(c(c1)Br)CNCCc2ccccc2 207a_100000106460_200012721597 [1,1,0,0,0,0|0,0,2]=4 1927 B21R2.14318 CCOc1ccc(c(c1)Br)CNCCc2ccccc2 270004a_100000106460_200012721597 [1,1,0,0,0,0|0,0,2]=4 1928 B21R2.14318 CCOc1ccc(c(c1)C)C=NNCc2ccccc2 4a_100000007032_100011361535 [1,1,0,0,0,0|1,0,0]=3 1929 B21R2.14318 CCOc1ccc(c(c1)C)C=NNCc2ccccn2 4a_100000736832_100011361535 [1,1,0,0,0,0|2,0,0]=4 1930 B21R2.14318 CCOc1ccc(c(c1)C)C=NNCc2cccnc2 4a_100000738295_100011361535 [1,1,0,0,0,0|2,0,0]=4 1931 B21R2.14318 CCOc1ccc(c(c1)C)C=NNCc2ccncc2 4a_100000736929_100011361535 [1,1,0,0,0,0|2,0,0]=4 1932 B21R2.14318 CCOc1ccc(c(c1)C)CNCCc2ccccc2 207a_100000106460_100011361535 [1,1,0,0,0,0|0,0,2]=4 1933 B21R2.14318 CCOc1ccc(c(c1)C)CNCCc2ccccc2 270004a_100000106460_100011361535 [1,1,0,0,0,0|0,0,2]=4 1934 B21R2.14318 CCOc1ccc(c(c1)C)NCCCc2ccccc2 2230a_100000742753_100000211621 [1,1,0,0,0,0|2,0,0]=4 1935 B21R2.14318 CCOc1ccc(c(c1)C)NCCCc2ccccc2 34a_100000742753_100000211621 [1,1,0,0,0,0|2,0,0]=4 1936 B21R2.14318 CCOc1ccc(c(c1)C)SCCCc2ccccc2 62a_100000211621_100012344538 [1,1,0,0,0,0|2,0,0]=4 1937 B21R2.14318 CCOc1ccc(c(c1)F)CNCCc2ccccc2 2230a_100000106460_200016184943 [1,1,0,0,0,0|0,0,2]=4 1938 B21R2.14318 CCOc1ccc(c(c1)F)CNCCc2ccccc2 34a_100000106460_200016184943 [1,1,0,0,0,0|0,0,2]=4 1939 B21R2.14318 CCOc1ccc(c(c1)F)COCCc2ccccc2 34a_100000210268_200016184943 [1,1,0,0,0,0|1,0,1]=4 1940 B21R2.14318 CCOc1ccc(c(c1)F)COCCc2ccccc2 34a_200015831911_100000765856 [1,1,0,0,0,0|1,0,1]=4 1941 B21R2.14318 CCOc1ccc(c(c1)F)COCCc2ccccc2 7a_100000210268_200016184943 [1,1,0,0,0,0|1,0,1]=4 1942 B21R2.14318 CCOc1ccc(c(c1)F)COCCc2ccccc2 7a_200015831911_100000765856 [1,1,0,0,0,0|1,0,1]=4 1943 B21R2.14318 CCOc1ccc(c(c1)F)CSCCc2ccccc2 62a_100000765856_200016184943 [1,1,0,0,0,0|1,0,1]=4 1944 B21R2.14318 CCOc1ccc(c(c1)F)CSCCc2ccccc2 62a_200016184943_100011218657 [1,1,0,0,0,0|1,0,1]=4 1945 B21R2.14318 CCOc1ccc(c(c1)F)NCCCc2ccccc2 2230a_100015186438_100000211621 [1,1,0,0,0,0|2,0,0]=4 1946 B21R2.14318 CCOc1ccc(c(c1)F)NCCCc2ccccc2 34a_100015186438_100000211621 [1,1,0,0,0,0|2,0,0]=4 1947 B21R2.14318 CCOc1ccc(c(c1)F)SCCCc2ccccc2 62a_100000211621_100000692347 [1,1,0,0,0,0|2,0,0]=4 1948 B21R2.14318 CCOc1ccc(c(c1)F)SCCCc2ccccc2 62a_100000692347_100000211621 [1,1,0,0,0,0|2,0,0]=4 1949 B21R2.14318 CCOc1ccc(c(c1)O)C=NNCc2ccccc2 4a_100000007032_100000010015 [1,1,0,0,0,0|1,0,0]=3 1950 B21R2.14318 CCOc1ccc(c(c1)O)C=NNCc2ccccn2 4a_100000736832_100000010015 [1,1,0,0,0,0|2,0,0]=4 1951 B21R2.14318 CCOc1ccc(c(c1)O)C=NNCc2cccnc2 4a_100000738295_100000010015 [1,1,0,0,0,0|2,0,0]=4 1952 B21R2.14318 CCOc1ccc(c(c1)O)C=NNCc2ccncc2 4a_100000736929_100000010015 [1,1,0,0,0,0|2,0,0]=4 1953 B21R2.22372 CC(C)Cc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000749234 [1,1,0,0,0,0|2,0,0]=4 1954 B21R2.22372 CC(C)Oc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000169837 [1,1,0,0,0,0|1,0,0]=3 1955 B21R2.22372 CC(C)Oc1ccc(cc1)C=NNCc2ccccn2 4a_100000736832_100000169837 [1,1,0,0,0,0|2,0,0]=4 1956 B21R2.22372 CC(C)Oc1ccc(cc1)C=NNCc2cccnc2 4a_100000738295_100000169837 [1,1,0,0,0,0|2,0,0]=4 1957 B21R2.22372 CC(C)Oc1ccc(cc1)C=NNCc2ccncc2 4a_100000736929_100000169837 [1,1,0,0,0,0|2,0,0]=4 1958 B21R2.22372 CC(C)Oc1ccc(cc1)CNCCc2ccccc2 207a_100000106460_100000169837 [1,1,0,0,0,0|0,0,2]=4 1959 B21R2.22372 CC(C)Oc1ccc(cc1)CNCCc2ccccc2 2230a_100020586559_100000765856 [1,1,0,0,0,0|0,0,2]=4 1960 B21R2.22372 CC(C)Oc1ccc(cc1)CNCCc2ccccc2 270004a_100000106460_100000169837 [1,1,0,0,0,0|0,0,2]=4 1961 B21R2.22372 CC(C)Oc1ccc(cc1)CNCCc2ccccc2 34a_100020586559_100000765856 [1,1,0,0,0,0|0,0,2]=4 1962 B21R2.22372 CC(C)Oc1ccc(cc1)COCCc2ccccc2 34a_100000173089_100000765856 [1,1,0,0,0,0|1,0,1]=4 1963 B21R2.22372 CC(C)Oc1ccc(cc1)COCCc2ccccc2 7a_100000173089_100000765856 [1,1,0,0,0,0|1,0,1]=4 1964 B21R2.22372 CC(C)Oc1ccc(cc1)NCCCc2ccccc2 2230a_100011194259_100000211621 [1,1,0,0,0,0|2,0,0]=4 1965 B21R2.22372 CC(C)Oc1ccc(cc1)NCCCc2ccccc2 34a_100011194259_100000211621 [1,1,0,0,0,0|2,0,0]=4 1966 B21R2.22372 CC(C)Oc1ccc(cc1)NN=CCc2ccccc2 4a_100016991999_100000209964 [1,1,0,0,0,0|1,0,1]=4 1967 B21R2.22372 CC(C)Oc1ccc(cc1)OCCCc2ccccc2 34a_100000757185_100000211621 [1,1,0,0,0,0|2,0,0]=4 1968 B21R2.22372 CC(C)Oc1ccc(cc1)OCCCc2ccccc2 7a_100000757185_100000211621 [1,1,0,0,0,0|2,0,0]=4 1969 B21R2.22372 CC(C)Oc1ccc(cc1)SCCCc2ccccc2 62a_100000169947_100000211621 [1,1,0,0,0,0|2,0,0]=4 1970 B21R2.22372 CC(C)Oc1ccc(cc1)SCCCc2ccccc2 62a_100000211621_100000169947 [1,1,0,0,0,0|2,0,0]=4 1971 B21R2.22372 CC(C)Oc1ccc(cn1)C=NNCc2ccccc2 4a_100000007032_100011998172 [1,1,0,0,0,0|2,0,0]=4 1972 B21R2.22372 CC(C)Sc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_200011925711 [1,1,0,0,0,0|1,1,0]=4 1973 B21R2.22372 FC(F)Oc1ccc(cc1)C=NNCc2ccccc2 4a_100000007032_100000179041 [1,1,0,0,0,0|2,0,0]=4 1974 B21R2.28968 CCCc1ccc(cc1)C=NNCc2ccccc2Br 4a_200016993956_100000229940 [1,1,0,0,0,0|2,0,0]=4 1975 B21R2.28968 CCCc1ccc(cc1)C=NNCc2ccccc2C 4a_100000737298_100000229940 [1,1,0,0,0,0|2,0,0]=4 1976 B21R2.28968 CCCc1ccc(cc1)C=NNCc2ccccc2Cl 4a_100015187261_100000229940 [1,1,0,0,0,0|2,0,0]=4 1977 B21R2.28968 CCCc1ccc(cc1)C=NNCc2ccccc2F 4a_100015200773_100000229940 [1,1,0,0,0,0|2,0,0]=4 1978 B21R2.28968 CCOc1ccc(cc1)C=NNCc2ccccc2Br 4a_200016993956_100000169836 [1,1,0,0,0,0|1,0,0]=3 1979 B21R2.28968 CCOc1ccc(cc1)C=NNCc2ccccc2C 4a_100000737298_100000169836 [1,1,0,0,0,0|1,0,0]=3 1980 B21R2.28968 CCOc1ccc(cc1)C=NNCc2ccccc2Cl 4a_100015187261_100000169836 [1,1,0,0,0,0|1,0,0]=3 1981 B21R2.28968 CCOc1ccc(cc1)C=NNCc2ccccc2F 4a_100015200773_100000169836 [1,1,0,0,0,0|1,0,0]=3 1982 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Br 207a_100000747383_100000169836 [1,1,0,0,0,0|0,0,2]=4 1983 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Br 2230a_100000185588_100012161201 [1,1,0,0,0,0|0,0,2]=4 1984 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Br 270004a_100000747383_100000169836 [1,1,0,0,0,0|0,0,2]=4 1985 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Br 34a_100000185588_100012161201 [1,1,0,0,0,0|0,0,2]=4 1986 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2C 207a_100000685071_100000169836 [1,1,0,0,0,0|0,0,2]=4 1987 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2C 2230a_100000185588_100011713688 [1,1,0,0,0,0|0,0,2]=4 1988 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2C 270004a_100000685071_100000169836 [1,1,0,0,0,0|0,0,2]=4 1989 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2C 34a_100000185588_100011713688 [1,1,0,0,0,0|0,0,2]=4 1990 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Cl 207a_100011207228_100000169836 [1,1,0,0,0,0|0,0,2]=4 1991 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Cl 2230a_100000185588_100011713703 [1,1,0,0,0,0|0,0,2]=4 1992 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Cl 270004a_100000185588_200011713468 [1,1,0,0,0,0|0,0,2]=4 1993 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Cl 270004a_100011207228_100000169836 [1,1,0,0,0,0|0,0,2]=4 1994 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2Cl 34a_100000185588_100011713703 [1,1,0,0,0,0|0,0,2]=4 1995 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2F 207a_100000185272_100000169836 [1,1,0,0,0,0|0,0,2]=4 1996 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2F 2230a_100000185588_100011713696 [1,1,0,0,0,0|0,0,2]=4 1997 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2F 270004a_100000185272_100000169836 [1,1,0,0,0,0|0,0,2]=4 1998 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2F 34a_100000185588_100000720011 [1,1,0,0,0,0|0,0,2]=4 1999 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2O 207a_100011207237_100000169836 [1,1,0,0,0,0|0,0,2]=4 2000 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2O 270004a_100011207237_100000169836 [1,1,0,0,0,0|0,0,2]=4 2001 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2O 34a_100000185588_100000722297 [1,1,0,0,0,0|0,0,2]=4 2002 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2Br 34a_100000173027_100012161201 [1,1,0,0,0,0|1,0,1]=4 2003 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2Br 7a_100000173027_100012161201 [1,1,0,0,0,0|1,0,1]=4 2004 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2C 34a_100000173027_100011713688 [1,1,0,0,0,0|1,0,1]=4 2005 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2C 7a_100000173027_100011713688 [1,1,0,0,0,0|1,0,1]=4 2006 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2Cl 34a_100000173027_100011713703 [1,1,0,0,0,0|1,0,1]=4 2007 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2Cl 7a_100000173027_100011713703 [1,1,0,0,0,0|1,0,1]=4 2008 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2F 34a_100000173027_100000720011 [1,1,0,0,0,0|1,0,1]=4 2009 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2F 7a_100000173027_100000720011 [1,1,0,0,0,0|1,0,1]=4 2010 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2O 34a_100000173027_100000722297 [1,1,0,0,0,0|1,0,1]=4 2011 B21R2.28968 CCOc1ccc(cc1)COCCc2ccccc2O 7a_100000173027_100000722297 [1,1,0,0,0,0|1,0,1]=4 2012 B21R2.28968 CCOc1ccc(cc1)NCCCc2ccccc2Br 2230a_100000739623_200011713681 [1,1,0,0,0,0|2,0,0]=4 2013 B21R2.28968 CCOc1ccc(cc1)NCCCc2ccccc2Br 34a_100000739623_200011713681 [1,1,0,0,0,0|2,0,0]=4 2014 B21R2.28968 CCOc1ccc(cc1)NN=CCc2ccccc2Cl 4a_100000738955_200011713468 [1,1,0,0,0,0|1,0,1]=4 2015 B21R2.28968 CCOc1ccc(cc1)NN=CCc2ccccc2F 4a_100000738955_200000687578 [1,1,0,0,0,0|1,0,1]=4 2016 B21R2.28968 CCOc1ccc(cc1)OCCCc2ccccc2Br 34a_100000185467_200011713681 [1,1,0,0,0,0|2,0,0]=4 2017 B21R2.28968 CCOc1ccc(cc1)SCCCc2ccccc2Br 62a_200011713681_100000171712 [1,1,0,0,0,0|2,0,0]=4 2018 B21R2.28968 CCOc1ccc(cn1)C=NNCc2ccccc2Br 4a_200016993956_100012002837 [1,1,0,0,0,0|2,0,0]=4 2019 B21R2.28968 CCOc1ccc(cn1)C=NNCc2ccccc2C 4a_100000737298_100012002837 [1,1,0,0,0,0|2,0,0]=4 2020 B21R2.28968 CCOc1ccc(cn1)C=NNCc2ccccc2Cl 4a_100015187261_100012002837 [1,1,0,0,0,0|2,0,0]=4 2021 B21R2.28968 CCOc1ccc(cn1)C=NNCc2ccccc2F 4a_100015200773_100012002837 [1,1,0,0,0,0|2,0,0]=4 2022 B21R2.274591 CCOc1ccc(cc1Br)C=NNCc2ccccc2 4a_100000007032_100000173028 [1,1,0,0,0,0|1,0,0]=3 2023 B21R2.274591 CCOc1ccc(cc1Br)C=NNCc2ccccn2 4a_100000736832_100000173028 [1,1,0,0,0,0|2,0,0]=4 2024 B21R2.274591 CCOc1ccc(cc1Br)C=NNCc2cccnc2 4a_100000738295_100000173028 [1,1,0,0,0,0|2,0,0]=4 2025 B21R2.274591 CCOc1ccc(cc1Br)C=NNCc2ccncc2 4a_100000736929_100000173028 [1,1,0,0,0,0|2,0,0]=4 2026 B21R2.274591 CCOc1ccc(cc1Br)CNCCc2ccccc2 207a_100000106460_100000173028 [1,1,0,0,0,0|0,0,2]=4 2027 B21R2.274591 CCOc1ccc(cc1Br)CNCCc2ccccc2 270004a_100000106460_100000173028 [1,1,0,0,0,0|0,0,2]=4 2028 B21R2.274591 CCOc1ccc(cc1Br)COCCc2ccccc2 34a_200011800839_100000765856 [1,1,0,0,0,0|1,0,1]=4 2029 B21R2.274591 CCOc1ccc(cc1Br)COCCc2ccccc2 7a_200011800839_100000765856 [1,1,0,0,0,0|1,0,1]=4 2030 B21R2.274591 CCOc1ccc(cc1C)C=NNCc2ccccc2 4a_100000007032_100012017204 [1,1,0,0,0,0|1,0,0]=3 2031 B21R2.274591 CCOc1ccc(cc1C)C=NNCc2ccccn2 4a_100000736832_100012017204 [1,1,0,0,0,0|2,0,0]=4 2032 B21R2.274591 CCOc1ccc(cc1C)C=NNCc2cccnc2 4a_100000738295_100012017204 [1,1,0,0,0,0|2,0,0]=4 2033 B21R2.274591 CCOc1ccc(cc1C)C=NNCc2ccncc2 4a_100000736929_100012017204 [1,1,0,0,0,0|2,0,0]=4 2034 B21R2.274591 CCOc1ccc(cc1C)CNCCc2ccccc2 207a_100000106460_100012017204 [1,1,0,0,0,0|0,0,2]=4 2035 B21R2.274591 CCOc1ccc(cc1C)CNCCc2ccccc2 270004a_100000106460_100012017204 [1,1,0,0,0,0|0,0,2]=4 2036 B21R2.274591 CCOc1ccc(cc1C)SCCCc2ccccc2 62a_100000211621_100011308936 [1,1,0,0,0,0|2,0,0]=4 2037 B21R2.274591 CCOc1ccc(cc1C)SCCCc2ccccc2 62a_100011308936_100000211621 [1,1,0,0,0,0|2,0,0]=4 2038 B21R2.274591 CCOc1ccc(cc1Cl)C=NNCc2ccccc2 4a_100000007032_200000188301 [1,1,0,0,0,0|1,0,0]=3 2039 B21R2.274591 CCOc1ccc(cc1Cl)C=NNCc2ccccn2 4a_100000736832_200000188301 [1,1,0,0,0,0|2,0,0]=4 2040 B21R2.274591 CCOc1ccc(cc1Cl)C=NNCc2cccnc2 4a_100000738295_200000188301 [1,1,0,0,0,0|2,0,0]=4 2041 B21R2.274591 CCOc1ccc(cc1Cl)C=NNCc2ccncc2 4a_100000736929_200000188301 [1,1,0,0,0,0|2,0,0]=4 2042 B21R2.274591 CCOc1ccc(cc1Cl)CNCCc2ccccc2 207a_100000106460_200000188301 [1,1,0,0,0,0|0,0,2]=4 2043 B21R2.274591 CCOc1ccc(cc1Cl)CNCCc2ccccc2 270004a_100000106460_200000188301 [1,1,0,0,0,0|0,0,2]=4 2044 B21R2.274591 CCOc1ccc(cc1Cl)COCCc2ccccc2 34a_200011523292_100000765856 [1,1,0,0,0,0|1,0,1]=4 2045 B21R2.274591 CCOc1ccc(cc1Cl)COCCc2ccccc2 7a_200011523292_100000765856 [1,1,0,0,0,0|1,0,1]=4 2046 B21R2.274591 CCOc1ccc(cc1Cl)NCCCc2ccccc2 2230a_100000741444_100000211621 [1,1,0,0,0,0|2,0,0]=4 2047 B21R2.274591 CCOc1ccc(cc1Cl)NCCCc2ccccc2 34a_100000741444_100000211621 [1,1,0,0,0,0|2,0,0]=4 2048 B21R2.274591 CCOc1ccc(cc1Cl)NCCCc2ccccc2 7a_100000741444_100000211621 [1,1,0,0,0,0|2,0,0]=4 2049 B21R2.274591 CCOc1ccc(cc1F)OCCCc2ccccc2 34a_100012771078_100000211621 [1,1,0,0,0,0|2,0,0]=4 2050 B21R2.274591 CCOc1ccc(cc1F)OCCCc2ccccc2 7a_100012771078_100000211621 [1,1,0,0,0,0|2,0,0]=4 2051 B21R2.274591 CCOc1ccc(cc1F)SCCCc2ccccc2 62a_100000211621_200000171753 [1,1,0,0,0,0|2,0,0]=4 2052 B21R2.274591 CCOc1ccc(cc1F)SCCCc2ccccc2 62a_200000171753_100000211621 [1,1,0,0,0,0|2,0,0]=4 2053 B21R2.274591 CCOc1ccc(cc1I)C=NNCc2ccccc2 4a_100000007032_200000123116 [1,1,0,0,0,0|1,0,0]=3 2054 B21R2.274591 CCOc1ccc(cc1I)C=NNCc2ccccn2 4a_100000736832_200000123116 [1,1,0,0,0,0|2,0,0]=4 2055 B21R2.274591 CCOc1ccc(cc1I)C=NNCc2cccnc2 4a_100000738295_200000123116 [1,1,0,0,0,0|2,0,0]=4 2056 B21R2.274591 CCOc1ccc(cc1I)C=NNCc2ccncc2 4a_100000736929_200000123116 [1,1,0,0,0,0|2,0,0]=4 2057 B21R2.274591 CCOc1ccc(cc1I)CNCCc2ccccc2 207a_100000106460_200000123116 [1,1,0,0,0,0|0,0,2]=4 2058 B21R2.274591 CCOc1ccc(cc1I)CNCCc2ccccc2 269862a_100000106460_200000123116 [1,1,0,0,0,0|0,0,2]=4 2059 B21R2.274591 CCOc1ccc(cc1I)CNCCc2ccccc2 270004a_100000106460_200000123116 [1,1,0,0,0,0|0,0,2]=4 2060 B21R2.274591 CCOc1ccc(cc1N)SCCCc2ccccc2 62a_100000751366_100000211621 [1,1,0,0,0,0|2,0,0]=4 2061 B21R2.2540 CCOc1ccc(cc1)C(=O)NCC(O)c2ccco2 527a_100000738650_100000181891 [0,1,0,0,1,0|1,0,1]=4 2062 B21R2.2540 CCOc1ccc(cc1)C(=O)NCC(O)c2ccsc2 240690a_100000758718_100000181891 [0,1,0,0,1,0|1,0,1]=4 2063 B21R2.2540 CCOc1ccc(cc1)C(=O)NCC(O)c2ccsc2 527a_100000758718_100000181891 [0,1,0,0,1,0|1,0,1]=4 2064 B21R2.2530 CC#Cc1ccc(cc1)C(=O)CC(O)c2ccccc2 1458a_100009923575_100000185958 [0,1,0,0,1,0|1,0,1]=4 2065 B21R2.2530 CC#Cc1ccc(cc1)C(=O)C[C@@H](O)c2ccccc2 1458a_100009923575_100011933945 [0,1,0,0,1,0|1,0,1]=4 2066 B21R2.2530 CCCc1ccc(cc1)C(=O)CC(C)c2ccccc2 1458a_100011207308_100000756946 [0,1,0,0,1,0|2,0,0]=4 2067 B21R2.2530 CCCc1ccc(cc1)C(=O)CC(O)c2ccccc2 1458a_100011207308_100000185958 [0,1,0,0,1,0|1,0,0]=3 2068 B21R2.2530 CCCc1ccc(cc1)C(=O)C[C@@H](O)c2ccccc2 1458a_100011207308_100011933945 [0,1,0,0,1,0|1,0,0]=3 2069 B21R2.2530 CCOc1ccc(cc1)C(=O)CC(=O)c2ccccc2 1458a_100000181891_100000211460 [0,1,0,0,1,0|0,0,2]=4 2070 B21R2.2530 CCOc1ccc(cc1)C(=O)CC(=O)c2ccccc2 1458a_100000185807_100000203716 [0,1,0,0,1,0|0,0,2]=4 2071 B21R2.2530 CCOc1ccc(cc1)C(=O)CC(C)c2ccccc2 1458a_100000181891_100000756946 [0,1,0,0,1,0|1,0,0]=3 2072 B21R2.2530 CCOc1ccc(cc1)C(=O)CC(O)c2ccccc2 1458a_100000181891_100000185958 [0,1,0,0,1,0|0,0,0]=2 2073 B21R2.2530 CCOc1ccc(cc1)C(=O)CN(C)c2ccccc2 2230a_100000210012_100000203716 [0,1,0,0,1,0|2,0,0]=4 2074 B21R2.2530 CCOc1ccc(cc1)C(=O)CN(C)c2ccccc2 269982a_100000210012_100000203716 [0,1,0,0,1,0|2,0,0]=4 2075 B21R2.2530 CCOc1ccc(cc1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000181891_100011933945 [0,1,0,0,1,0|0,0,0]=2 2076 B21R2.2530 CCOc1ccc(cc1)C(=O)N[C@H](C)c2ccccc2 11a_100000751104_100000181891 [0,1,0,0,1,0|1,0,1]=4 2077 B21R2.2530 CCOc1ccc(cc1)C(=O)N[C@H](C)c2ccccc2 1626a_100000751104_100000181891 [0,1,0,0,1,0|1,0,1]=4 2078 B21R2.2530 CCOc1ccc(cc1)C(=O)N[C@H](C)c2ccccc2 240690a_100000751104_100000181891 [0,1,0,0,1,0|1,0,1]=4 2079 B21R2.2530 CCOc1ccc(cc1)C(=O)N[C@H](C)c2ccccc2 527a_100000751104_100000181891 [0,1,0,0,1,0|1,0,1]=4 2080 B21R2.2530 CCOc1ccc(cc1)N(C)CC(C)c2ccccc2 2230a_100025784348_100000756946 [0,1,0,0,1,0|1,0,1]=4 2081 B21R2.2530 CCOc1ccc(cc1)N(C)CC(C)c2ccccc2 269982a_100025784348_100000756946 [0,1,0,0,1,0|1,0,1]=4 2082 B21R2.2530 CCOc1ccc(cc1)N(C)CC(C)c2ccccc2 34a_100025784348_100000756946 [0,1,0,0,1,0|1,0,1]=4 2083 B21R2.2530 CCOc1ccc(cc1)N(C)CC(O)c2ccccc2 2230a_100025784348_100000185958 [0,1,0,0,1,0|0,0,1]=3 2084 B21R2.2530 CCOc1ccc(cc1)N(C)CC(O)c2ccccc2 34a_100025784348_100000185958 [0,1,0,0,1,0|0,0,1]=3 2085 B21R2.2530 CCOc1ccc(cc1)N(C)C[C@@H](O)c2ccccc2 2230a_100025784348_100011933945 [0,1,0,0,1,0|0,0,1]=3 2086 B21R2.2530 CCOc1ccc(cc1)N(C)C[C@@H](O)c2ccccc2 34a_100025784348_100011933945 [0,1,0,0,1,0|0,0,1]=3 2087 B21R2.2530 CCSc1ccc(cc1)C(=O)CC(C)c2ccccc2 1458a_100000244969_100000756946 [0,1,0,0,1,0|1,1,0]=4 2088 B21R2.2530 CCSc1ccc(cc1)C(=O)CC(O)c2ccccc2 1458a_100000244969_100000185958 [0,1,0,0,1,0|0,1,0]=3 2089 B21R2.2530 CCSc1ccc(cc1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000244969_100011933945 [0,1,0,0,1,0|0,1,0]=3 2090 B21R2.2530 COCc1ccc(cc1)C(=O)CC(O)c2ccccc2 1458a_100000189608_100000185958 [0,1,0,0,1,0|2,0,0]=4 2091 B21R2.2530 COCc1ccc(cc1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000189608_100011933945 [0,1,0,0,1,0|2,0,0]=4 2092 B21R2.2530 CSCc1ccc(cc1)C(=O)CC(O)c2ccccc2 1458a_100000175442_100000185958 [0,1,0,0,1,0|2,0,0]=4 2093 B21R2.2530 CSCc1ccc(cc1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000175442_100011933945 [0,1,0,0,1,0|2,0,0]=4 2094 B21R2.2530 O=C(CC(O)c1ccccc1)c2ccc(cc2)CCO 1458a_100000078963_100000185958 [0,1,0,0,1,0|2,0,0]=4 2095 B21R2.2530 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2)CCO 1458a_100000078963_100011933945 [0,1,0,0,1,0|2,0,0]=4 2096 B21R2.2534 CCOc1ccc(cc1)NC(=O)[C@H](O)c2ccccc2 22a_100000739623_100000684486 [0,1,0,0,1,0|0,0,2]=4 2097 B21R2.3429 C#CCOc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000753246_100000185958 [0,1,0,0,1,0|0,0,2]=4 2098 B21R2.3429 C#CCOc1ccc(cc1)NCC(O)c2ccccc2 34a_100000753246_100000185958 [0,1,0,0,1,0|0,0,2]=4 2099 B21R2.3429 C#CCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000753246_100011933945 [0,1,0,0,1,0|0,0,2]=4 2100 B21R2.3429 C#CCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000753246_100011933945 [0,1,0,0,1,0|0,0,2]=4 2101 B21R2.3429 C=CCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000172055_100000185958 [0,1,0,0,1,0|1,0,1]=4 2102 B21R2.3429 C=CCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000172055 [0,1,0,0,1,0|1,0,1]=4 2103 B21R2.3429 C=CCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000172055_100011933945 [0,1,0,0,1,0|1,0,1]=4 2104 B21R2.3429 C=CCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000172055 [0,1,0,0,1,0|1,0,1]=4 2105 B21R2.3429 CC(CNc1ccc(cc1)OCCF)c2ccccc2 34a_100012282086_100000756946 [0,1,0,0,1,0|1,0,1]=4 2106 B21R2.3429 CC(CNc1ccc(cc1)OCCO)c2ccccc2 2230a_100000754363_100000756946 [0,1,0,0,1,0|1,0,1]=4 2107 B21R2.3429 CC(CNc1ccc(cc1)OCCO)c2ccccc2 34a_100000754363_100000756946 [0,1,0,0,1,0|1,0,1]=4 2108 B21R2.3429 CC(CSc1ccc(cc1)OCCF)c2ccccc2 62a_100000756946_100012347556 [0,1,0,0,1,0|2,0,0]=4 2109 B21R2.3429 CC(CSc1ccc(cc1)OCCF)c2ccccc2 62a_100012347556_100000756946 [0,1,0,0,1,0|2,0,0]=4 2110 B21R2.3429 CC(CSc1ccc(cc1)OCCN)c2ccccc2 62a_100000746992_100000756946 [0,1,0,0,1,0|2,0,0]=4 2111 B21R2.3429 CC(CSc1ccc(cc1)OCCN)c2ccccc2 62a_100000756946_100000746992 [0,1,0,0,1,0|2,0,0]=4 2112 B21R2.3429 CC(CSc1ccc(cc1)OCCO)c2ccccc2 62a_100000686261_100000756946 [0,1,0,0,1,0|2,0,0]=4 2113 B21R2.3429 CC(CSc1ccc(cc1)OCCO)c2ccccc2 62a_100000756946_100000686261 [0,1,0,0,1,0|2,0,0]=4 2114 B21R2.3429 CCCCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000210628_100000185958 [0,1,0,0,1,0|1,0,1]=4 2115 B21R2.3429 CCCCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000210628_100000185958 [0,1,0,0,1,0|1,0,1]=4 2116 B21R2.3429 CCCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000210628_100011933945 [0,1,0,0,1,0|1,0,1]=4 2117 B21R2.3429 CCCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000210628_100011933945 [0,1,0,0,1,0|1,0,1]=4 2118 B21R2.3429 CCCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100011216022_100000185958 [0,1,0,0,1,0|2,0,0]=4 2119 B21R2.3429 CCCCc1ccc(cc1)OCC(O)c2ccccc2 7a_100011216022_100000185958 [0,1,0,0,1,0|2,0,0]=4 2120 B21R2.3429 CCCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100011216022_100011933945 [0,1,0,0,1,0|2,0,0]=4 2121 B21R2.3429 CCCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100011216022_100011933945 [0,1,0,0,1,0|2,0,0]=4 2122 B21R2.3429 CCCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011218101 [0,1,0,0,1,0|2,0,0]=4 2123 B21R2.3429 CCCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011218101_100000185958 [0,1,0,0,1,0|2,0,0]=4 2124 B21R2.3429 CCCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011218101_100011933945 [0,1,0,0,1,0|2,0,0]=4 2125 B21R2.3429 CCCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011218101 [0,1,0,0,1,0|2,0,0]=4 2126 B21R2.3429 CCCOc1ccc(cc1)NCC(C)c2ccccc2 34a_100000748631_100000756946 [0,1,0,0,1,0|1,0,1]=4 2127 B21R2.3429 CCCOc1ccc(cc1)NCC(O)c2ccccc2 34a_100000748631_100000185958 [0,1,0,0,1,0|0,0,1]=3 2128 B21R2.3429 CCCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000748631_100011933945 [0,1,0,0,1,0|0,0,1]=3 2129 B21R2.3429 CCCOc1ccc(cc1)OCC(C)c2ccccc2 34a_100000185468_100000756946 [0,1,0,0,1,0|2,0,0]=4 2130 B21R2.3429 CCCOc1ccc(cc1)OCC(C)c2ccccc2 7a_100000185468_100000756946 [0,1,0,0,1,0|2,0,0]=4 2131 B21R2.3429 CCCOc1ccc(cc1)OCC(O)c2ccccc2 34a_100000185468_100000185958 [0,1,0,0,1,0|1,0,0]=3 2132 B21R2.3429 CCCOc1ccc(cc1)OCC(O)c2ccccc2 7a_100000185468_100000185958 [0,1,0,0,1,0|1,0,0]=3 2133 B21R2.3429 CCCOc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000185468_100011933945 [0,1,0,0,1,0|1,0,0]=3 2134 B21R2.3429 CCCOc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000185468_100011933945 [0,1,0,0,1,0|1,0,0]=3 2135 B21R2.3429 CCCOc1ccc(cc1)SCC(C)c2ccccc2 62a_100000169948_100000756946 [0,1,0,0,1,0|2,0,0]=4 2136 B21R2.3429 CCCOc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000169948 [0,1,0,0,1,0|2,0,0]=4 2137 B21R2.3429 CCCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000169948_100000185958 [0,1,0,0,1,0|1,0,0]=3 2138 B21R2.3429 CCCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000169948 [0,1,0,0,1,0|1,0,0]=3 2139 B21R2.3429 CCCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000169948_100011933945 [0,1,0,0,1,0|1,0,0]=3 2140 B21R2.3429 CCCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000169948 [0,1,0,0,1,0|1,0,0]=3 2141 B21R2.3429 CCCOc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100011465619 [0,1,0,0,1,0|2,0,0]=4 2142 B21R2.3429 CCCOc1ccc(cn1)SCC(O)c2ccccc2 62a_100011465619_100000185958 [0,1,0,0,1,0|2,0,0]=4 2143 B21R2.3429 CCCOc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011465619_100011933945 [0,1,0,0,1,0|2,0,0]=4 2144 B21R2.3429 CCCOc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011465619 [0,1,0,0,1,0|2,0,0]=4 2145 B21R2.3429 CCCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000719977 [0,1,0,0,1,0|2,0,0]=4 2146 B21R2.3429 CCCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100000719977_100000185958 [0,1,0,0,1,0|2,0,0]=4 2147 B21R2.3429 CCCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000719977_100011933945 [0,1,0,0,1,0|2,0,0]=4 2148 B21R2.3429 CCCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000719977 [0,1,0,0,1,0|2,0,0]=4 2149 B21R2.3429 CCCSc1ccc(cc1)NCC(O)c2ccccc2 34a_100015183887_100000185958 [0,1,0,0,1,0|0,1,1]=4 2150 B21R2.3429 CCCSc1ccc(cc1)NCC(O)c2ccccc2 7a_100015183887_100000185958 [0,1,0,0,1,0|0,1,1]=4 2151 B21R2.3429 CCCSc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100015183887_100011933945 [0,1,0,0,1,0|0,1,1]=4 2152 B21R2.3429 CCCSc1ccc(cc1)NC[C@@H](O)c2ccccc2 7a_100015183887_100011933945 [0,1,0,0,1,0|0,1,1]=4 2153 B21R2.3429 CCCSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_200009811899 [0,1,0,0,1,0|1,1,0]=4 2154 B21R2.3429 CCCSc1ccc(cc1)SCC(O)c2ccccc2 62a_200009811899_100000185958 [0,1,0,0,1,0|1,1,0]=4 2155 B21R2.3429 CCCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_200009811899 [0,1,0,0,1,0|1,1,0]=4 2156 B21R2.3429 CCCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_200009811899_100011933945 [0,1,0,0,1,0|1,1,0]=4 2157 B21R2.3429 CCNCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000748449_100000185958 [0,1,0,0,1,0|2,0,0]=4 2158 B21R2.3429 CCNCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000748449_100011933945 [0,1,0,0,1,0|2,0,0]=4 2159 B21R2.3429 CCNCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000187385 [0,1,0,0,1,0|2,0,0]=4 2160 B21R2.3429 CCNCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000187385_100000185958 [0,1,0,0,1,0|2,0,0]=4 2161 B21R2.3429 CCNCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000187385_100011933945 [0,1,0,0,1,0|2,0,0]=4 2162 B21R2.3429 CCNCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000187385 [0,1,0,0,1,0|2,0,0]=4 2163 B21R2.3429 CCOCc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000758564 [0,1,0,0,1,0|2,0,0]=4 2164 B21R2.3429 CCOCc1ccc(cc1)SCC(C)c2ccccc2 62a_100000758564_100000756946 [0,1,0,0,1,0|2,0,0]=4 2165 B21R2.3429 CCOCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000758564 [0,1,0,0,1,0|1,0,0]=3 2166 B21R2.3429 CCOCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000758564_100000185958 [0,1,0,0,1,0|1,0,0]=3 2167 B21R2.3429 CCOCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000758564_100011933945 [0,1,0,0,1,0|1,0,0]=3 2168 B21R2.3429 CCOCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000758564 [0,1,0,0,1,0|1,0,0]=3 2169 B21R2.3429 CCOCc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100011206209 [0,1,0,0,1,0|2,0,0]=4 2170 B21R2.3429 CCOCc1ccc(nc1)SCC(O)c2ccccc2 62a_100011206209_100000185958 [0,1,0,0,1,0|2,0,0]=4 2171 B21R2.3429 CCOCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011206209_100011933945 [0,1,0,0,1,0|2,0,0]=4 2172 B21R2.3429 CCOCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011206209 [0,1,0,0,1,0|2,0,0]=4 2173 B21R2.3429 CNCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100016989440_100000185958 [0,1,0,0,1,0|2,0,0]=4 2174 B21R2.3429 CNCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100016989440_100011933945 [0,1,0,0,1,0|2,0,0]=4 2175 B21R2.3429 CNCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000752880 [0,1,0,0,1,0|2,0,0]=4 2176 B21R2.3429 CNCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000752880_100000185958 [0,1,0,0,1,0|2,0,0]=4 2177 B21R2.3429 CNCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000752880_100011933945 [0,1,0,0,1,0|2,0,0]=4 2178 B21R2.3429 CNCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000752880 [0,1,0,0,1,0|2,0,0]=4 2179 B21R2.3429 COCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211638_100000185958 [0,1,0,0,1,0|2,0,0]=4 2180 B21R2.3429 COCCc1ccc(cc1)OCC(O)c2ccccc2 7a_100000211638_100000185958 [0,1,0,0,1,0|2,0,0]=4 2181 B21R2.3429 COCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211638_100011933945 [0,1,0,0,1,0|2,0,0]=4 2182 B21R2.3429 COCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000211638_100011933945 [0,1,0,0,1,0|2,0,0]=4 2183 B21R2.3429 COCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000739703 [0,1,0,0,1,0|2,0,0]=4 2184 B21R2.3429 COCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000739703_100000185958 [0,1,0,0,1,0|2,0,0]=4 2185 B21R2.3429 COCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000739703_100011933945 [0,1,0,0,1,0|2,0,0]=4 2186 B21R2.3429 COCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000739703 [0,1,0,0,1,0|2,0,0]=4 2187 B21R2.3429 COCOc1ccc(cc1)OCC(C)c2ccccc2 34a_200012265912_100000756946 [0,1,0,0,1,0|2,0,0]=4 2188 B21R2.3429 COCOc1ccc(cc1)OCC(O)c2ccccc2 34a_200012265912_100000185958 [0,1,0,0,1,0|1,0,0]=3 2189 B21R2.3429 COCOc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_200012265912_100011933945 [0,1,0,0,1,0|1,0,0]=3 2190 B21R2.3429 COCOc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100012265687 [0,1,0,0,1,0|2,0,0]=4 2191 B21R2.3429 COCOc1ccc(cc1)SCC(C)c2ccccc2 62a_100012265687_100000756946 [0,1,0,0,1,0|2,0,0]=4 2192 B21R2.3429 COCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100012265687 [0,1,0,0,1,0|1,0,0]=3 2193 B21R2.3429 COCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100012265687_100000185958 [0,1,0,0,1,0|1,0,0]=3 2194 B21R2.3429 COCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100012265687 [0,1,0,0,1,0|1,0,0]=3 2195 B21R2.3429 COCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100012265687_100011933945 [0,1,0,0,1,0|1,0,0]=3 2196 B21R2.3429 COCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100012568617 [0,1,0,0,1,0|2,0,0]=4 2197 B21R2.3429 COCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100012568617_100000185958 [0,1,0,0,1,0|2,0,0]=4 2198 B21R2.3429 COCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100012568617 [0,1,0,0,1,0|2,0,0]=4 2199 B21R2.3429 COCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100012568617_100011933945 [0,1,0,0,1,0|2,0,0]=4 2200 B21R2.3429 CSCCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000750819_100000185958 [0,1,0,0,1,0|1,0,1]=4 2201 B21R2.3429 CSCCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000750819_100000185958 [0,1,0,0,1,0|1,0,1]=4 2202 B21R2.3429 CSCCc1ccc(cc1)NCC(O)c2ccccc2 7a_100000750819_100000185958 [0,1,0,0,1,0|1,0,1]=4 2203 B21R2.3429 CSCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000750819_100011933945 [0,1,0,0,1,0|1,0,1]=4 2204 B21R2.3429 CSCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000750819_100011933945 [0,1,0,0,1,0|1,0,1]=4 2205 B21R2.3429 CSCCc1ccc(cc1)NC[C@@H](O)c2ccccc2 7a_100000750819_100011933945 [0,1,0,0,1,0|1,0,1]=4 2206 B21R2.3429 N#CCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_200000169425 [0,1,0,0,1,0|1,0,1]=4 2207 B21R2.3429 N#CCOc1ccc(cc1)SCC(O)c2ccccc2 62a_200000169425_100000185958 [0,1,0,0,1,0|1,0,1]=4 2208 B21R2.3429 N#CCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_200000169425 [0,1,0,0,1,0|1,0,1]=4 2209 B21R2.3429 N#CCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_200000169425_100011933945 [0,1,0,0,1,0|1,0,1]=4 2210 B21R2.3429 NCCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011297623 [0,1,0,0,1,0|2,0,0]=4 2211 B21R2.3429 NCCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011297623_100000185958 [0,1,0,0,1,0|2,0,0]=4 2212 B21R2.3429 NCCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011297623_100011933945 [0,1,0,0,1,0|2,0,0]=4 2213 B21R2.3429 NCCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011297623 [0,1,0,0,1,0|2,0,0]=4 2214 B21R2.3429 NCCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000746992 [0,1,0,0,1,0|1,0,0]=3 2215 B21R2.3429 NCCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000746992_100000185958 [0,1,0,0,1,0|1,0,0]=3 2216 B21R2.3429 NCCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000746992_100011933945 [0,1,0,0,1,0|1,0,0]=3 2217 B21R2.3429 NCCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000746992 [0,1,0,0,1,0|1,0,0]=3 2218 B21R2.3429 NCCSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000184645_100000185958 [0,1,0,0,1,0|1,1,0]=4 2219 B21R2.3429 NCCSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000184645 [0,1,0,0,1,0|1,1,0]=4 2220 B21R2.3429 NCCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000184645_100011933945 [0,1,0,0,1,0|1,1,0]=4 2221 B21R2.3429 NCCSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000184645 [0,1,0,0,1,0|1,1,0]=4 2222 B21R2.3429 OC(CNc1ccc(cc1)OCCF)c2ccccc2 34a_100012282086_100000185958 [0,1,0,0,1,0|0,0,1]=3 2223 B21R2.3429 OC(CSc1ccc(cc1)OCCF)c2ccccc2 62a_100000185958_100012347556 [0,1,0,0,1,0|1,0,0]=3 2224 B21R2.3429 OC(CSc1ccc(cc1)OCCF)c2ccccc2 62a_100012347556_100000185958 [0,1,0,0,1,0|1,0,0]=3 2225 B21R2.3429 OCCCc1ccc(cc1)OCC(O)c2ccccc2 34a_100011215268_100000185958 [0,1,0,0,1,0|2,0,0]=4 2226 B21R2.3429 OCCCc1ccc(cc1)OCC(O)c2ccccc2 7a_100011215268_100000185958 [0,1,0,0,1,0|2,0,0]=4 2227 B21R2.3429 OCCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100011215268_100011933945 [0,1,0,0,1,0|2,0,0]=4 2228 B21R2.3429 OCCCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100011215268_100011933945 [0,1,0,0,1,0|2,0,0]=4 2229 B21R2.3429 OCCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011709247 [0,1,0,0,1,0|2,0,0]=4 2230 B21R2.3429 OCCCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011709247_100000185958 [0,1,0,0,1,0|2,0,0]=4 2231 B21R2.3429 OCCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011709247_100011933945 [0,1,0,0,1,0|2,0,0]=4 2232 B21R2.3429 OCCCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011709247 [0,1,0,0,1,0|2,0,0]=4 2233 B21R2.3429 OCCOc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000754363_100000185958 [0,1,0,0,1,0|0,0,1]=3 2234 B21R2.3429 OCCOc1ccc(cc1)NCC(O)c2ccccc2 34a_100000754363_100000185958 [0,1,0,0,1,0|0,0,1]=3 2235 B21R2.3429 OCCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000754363_100011933945 [0,1,0,0,1,0|0,0,1]=3 2236 B21R2.3429 OCCOc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000754363_100011933945 [0,1,0,0,1,0|0,0,1]=3 2237 B21R2.3429 OCCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000686261 [0,1,0,0,1,0|1,0,0]=3 2238 B21R2.3429 OCCOc1ccc(cc1)SCC(O)c2ccccc2 62a_100000686261_100000185958 [0,1,0,0,1,0|1,0,0]=3 2239 B21R2.3429 OCCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000686261_100011933945 [0,1,0,0,1,0|1,0,0]=3 2240 B21R2.3429 OCCOc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000686261 [0,1,0,0,1,0|1,0,0]=3 2241 B21R2.3429 OCCOc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_200013150534 [0,1,0,0,1,0|2,0,0]=4 2242 B21R2.3429 OCCOc1ccc(nc1)SCC(O)c2ccccc2 62a_200013150534_100000185958 [0,1,0,0,1,0|2,0,0]=4 2243 B21R2.3429 OCCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_200013150534 [0,1,0,0,1,0|2,0,0]=4 2244 B21R2.3429 OCCOc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_200013150534_100011933945 [0,1,0,0,1,0|2,0,0]=4 2245 B21R2.3429 O[C@H](CNc1ccc(cc1)OCCF)c2ccccc2 34a_100012282086_100011933945 [0,1,0,0,1,0|0,0,1]=3 2246 B21R2.3429 O[C@H](CSc1ccc(cc1)OCCF)c2ccccc2 62a_100011933945_100012347556 [0,1,0,0,1,0|1,0,0]=3 2247 B21R2.3429 O[C@H](CSc1ccc(cc1)OCCF)c2ccccc2 62a_100012347556_100011933945 [0,1,0,0,1,0|1,0,0]=3 2248 B21R2.14294 CCCc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_200010686677 [0,1,0,0,1,0|2,0,0]=4 2249 B21R2.14294 CCCc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_200010686677_100000185958 [0,1,0,0,1,0|2,0,0]=4 2250 B21R2.14294 CCCc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_200010686677 [0,1,0,0,1,0|2,0,0]=4 2251 B21R2.14294 CCCc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_200010686677_100011933945 [0,1,0,0,1,0|2,0,0]=4 2252 B21R2.14294 CCNc1ccc(c(c1)C)SCC(O)c2ccccc2 62a_100000185958_100015183089 [0,1,0,0,1,0|2,0,0]=4 2253 B21R2.14294 CCNc1ccc(c(c1)C)SCC(O)c2ccccc2 62a_100015183089_100000185958 [0,1,0,0,1,0|2,0,0]=4 2254 B21R2.14294 CCNc1ccc(c(c1)C)SC[C@@H](O)c2ccccc2 62a_100011933945_100015183089 [0,1,0,0,1,0|2,0,0]=4 2255 B21R2.14294 CCNc1ccc(c(c1)C)SC[C@@H](O)c2ccccc2 62a_100015183089_100011933945 [0,1,0,0,1,0|2,0,0]=4 2256 B21R2.14294 CCOc1cc(c(cn1)SCC(O)c2ccccc2)C 62a_100000185958_200012351029 [0,1,0,0,1,0|2,0,0]=4 2257 B21R2.14294 CCOc1cc(c(cn1)SCC(O)c2ccccc2)C 62a_200012351029_100000185958 [0,1,0,0,1,0|2,0,0]=4 2258 B21R2.14294 CCOc1cc(c(cn1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_200012351029 [0,1,0,0,1,0|2,0,0]=4 2259 B21R2.14294 CCOc1cc(c(cn1)SC[C@@H](O)c2ccccc2)C 62a_200012351029_100011933945 [0,1,0,0,1,0|2,0,0]=4 2260 B21R2.14294 CCOc1ccc(c(c1)C)NCC(C)c2ccccc2 2230a_100000742753_100000756946 [0,1,0,0,1,0|1,0,1]=4 2261 B21R2.14294 CCOc1ccc(c(c1)C)NCC(C)c2ccccc2 34a_100000742753_100000756946 [0,1,0,0,1,0|1,0,1]=4 2262 B21R2.14294 CCOc1ccc(c(c1)C)NCC(O)c2ccccc2 2230a_100000742753_100000185958 [0,1,0,0,1,0|0,0,1]=3 2263 B21R2.14294 CCOc1ccc(c(c1)C)NCC(O)c2ccccc2 34a_100000742753_100000185958 [0,1,0,0,1,0|0,0,1]=3 2264 B21R2.14294 CCOc1ccc(c(c1)C)NC[C@@H](O)c2ccccc2 2230a_100000742753_100011933945 [0,1,0,0,1,0|0,0,1]=3 2265 B21R2.14294 CCOc1ccc(c(c1)C)NC[C@@H](O)c2ccccc2 34a_100000742753_100011933945 [0,1,0,0,1,0|0,0,1]=3 2266 B21R2.14294 CCOc1ccc(c(c1)C)SCC(C)c2ccccc2 62a_100000756946_100012344538 [0,1,0,0,1,0|2,0,0]=4 2267 B21R2.14294 CCOc1ccc(c(c1)C)SCC(O)c2ccccc2 62a_100000185958_100012344538 [0,1,0,0,1,0|1,0,0]=3 2268 B21R2.14294 CCOc1ccc(c(c1)C)SC[C@@H](O)c2ccccc2 62a_100011933945_100012344538 [0,1,0,0,1,0|1,0,0]=3 2269 B21R2.14294 CCOc1ccc(c(c1)F)NCC(C)c2ccccc2 2230a_100015186438_100000756946 [0,1,0,0,1,0|1,0,1]=4 2270 B21R2.14294 CCOc1ccc(c(c1)F)NCC(C)c2ccccc2 34a_100015186438_100000756946 [0,1,0,0,1,0|1,0,1]=4 2271 B21R2.14294 CCOc1ccc(c(c1)F)NCC(O)c2ccccc2 2230a_100015186438_100000185958 [0,1,0,0,1,0|0,0,1]=3 2272 B21R2.14294 CCOc1ccc(c(c1)F)NCC(O)c2ccccc2 34a_100015186438_100000185958 [0,1,0,0,1,0|0,0,1]=3 2273 B21R2.14294 CCOc1ccc(c(c1)F)NC[C@@H](O)c2ccccc2 2230a_100015186438_100011933945 [0,1,0,0,1,0|0,0,1]=3 2274 B21R2.14294 CCOc1ccc(c(c1)F)NC[C@@H](O)c2ccccc2 34a_100015186438_100011933945 [0,1,0,0,1,0|0,0,1]=3 2275 B21R2.14294 CCOc1ccc(c(c1)F)SCC(C)c2ccccc2 62a_100000692347_100000756946 [0,1,0,0,1,0|2,0,0]=4 2276 B21R2.14294 CCOc1ccc(c(c1)F)SCC(C)c2ccccc2 62a_100000756946_100000692347 [0,1,0,0,1,0|2,0,0]=4 2277 B21R2.14294 CCOc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_100000692347 [0,1,0,0,1,0|1,0,0]=3 2278 B21R2.14294 CCOc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100000692347_100000185958 [0,1,0,0,1,0|1,0,0]=3 2279 B21R2.14294 CCOc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100000692347_100011933945 [0,1,0,0,1,0|1,0,0]=3 2280 B21R2.14294 CCOc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000692347 [0,1,0,0,1,0|1,0,0]=3 2281 B21R2.20585 CCC(=O)c1ccc(cc1)OCC(O)c2ccccc2 34a_100000212119_100000185958 [0,1,0,0,1,0|2,0,0]=4 2282 B21R2.20585 CCC(=O)c1ccc(cc1)OCC(O)c2ccccc2 7a_100000212119_100000185958 [0,1,0,0,1,0|2,0,0]=4 2283 B21R2.20585 CCC(=O)c1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000212119_100011933945 [0,1,0,0,1,0|2,0,0]=4 2284 B21R2.20585 CCC(=O)c1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000212119_100011933945 [0,1,0,0,1,0|2,0,0]=4 2285 B21R2.20585 CCC(=O)c1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000211647 [0,1,0,0,1,0|2,0,0]=4 2286 B21R2.20585 CCC(=O)c1ccc(cc1)SCC(O)c2ccccc2 62a_100000211647_100000185958 [0,1,0,0,1,0|2,0,0]=4 2287 B21R2.20585 CCC(=O)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000211647_100011933945 [0,1,0,0,1,0|2,0,0]=4 2288 B21R2.20585 CCC(=O)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000211647 [0,1,0,0,1,0|2,0,0]=4 2289 B21R2.20585 CCC(C)c1ccc(cc1)NCC(O)c2ccccc2 2230a_100000211316_100000185958 [0,1,0,0,1,0|1,0,1]=4 2290 B21R2.20585 CCC(C)c1ccc(cc1)NCC(O)c2ccccc2 34a_100000211316_100000185958 [0,1,0,0,1,0|1,0,1]=4 2291 B21R2.20585 CCC(C)c1ccc(cc1)NCC(O)c2ccccc2 7a_100000211316_100000185958 [0,1,0,0,1,0|1,0,1]=4 2292 B21R2.20585 CCC(C)c1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000211316_100011933945 [0,1,0,0,1,0|1,0,1]=4 2293 B21R2.20585 CCC(C)c1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000211316_100011933945 [0,1,0,0,1,0|1,0,1]=4 2294 B21R2.20585 CCC(C)c1ccc(cc1)NC[C@@H](O)c2ccccc2 7a_100000211316_100011933945 [0,1,0,0,1,0|1,0,1]=4 2295 B21R2.20585 CCC(C)c1ccc(cc1)OCC(O)c2ccccc2 34a_100000211540_100000185958 [0,1,0,0,1,0|2,0,0]=4 2296 B21R2.20585 CCC(C)c1ccc(cc1)OCC(O)c2ccccc2 7a_100000211540_100000185958 [0,1,0,0,1,0|2,0,0]=4 2297 B21R2.20585 CCC(C)c1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211540_100011933945 [0,1,0,0,1,0|2,0,0]=4 2298 B21R2.20585 CCC(C)c1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000211540_100011933945 [0,1,0,0,1,0|2,0,0]=4 2299 B21R2.20585 CCC(C)c1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011221364 [0,1,0,0,1,0|2,0,0]=4 2300 B21R2.20585 CCC(C)c1ccc(cc1)SCC(O)c2ccccc2 62a_100011221364_100000185958 [0,1,0,0,1,0|2,0,0]=4 2301 B21R2.20585 CCC(C)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011221364_100011933945 [0,1,0,0,1,0|2,0,0]=4 2302 B21R2.20585 CCC(C)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011221364 [0,1,0,0,1,0|2,0,0]=4 2303 B21R2.20585 CCC(N)c1ccc(cc1)OCC(O)c2ccccc2 34a_100015187210_100000185958 [0,1,0,0,1,0|2,0,0]=4 2304 B21R2.20585 CCC(N)c1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100015187210_100011933945 [0,1,0,0,1,0|2,0,0]=4 2305 B21R2.20585 CCC(O)c1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000246506 [0,1,0,0,1,0|2,0,0]=4 2306 B21R2.20585 CCC(O)c1ccc(cc1)SCC(O)c2ccccc2 62a_100000246506_100000185958 [0,1,0,0,1,0|2,0,0]=4 2307 B21R2.20585 CCC(O)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000246506_100011933945 [0,1,0,0,1,0|2,0,0]=4 2308 B21R2.20585 CCC(O)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000246506 [0,1,0,0,1,0|2,0,0]=4 2309 B21R2.20585 CC[C@H](N)c1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100025736560 [0,1,0,0,1,0|2,0,0]=4 2310 B21R2.20585 CC[C@H](N)c1ccc(cc1)SCC(O)c2ccccc2 62a_100025736560_100000185958 [0,1,0,0,1,0|2,0,0]=4 2311 B21R2.20585 CC[C@H](N)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100025736560 [0,1,0,0,1,0|2,0,0]=4 2312 B21R2.20585 CC[C@H](N)c1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100025736560_100011933945 [0,1,0,0,1,0|2,0,0]=4 2313 B21R2.22380 CC(=O)Oc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000002173 [0,1,0,0,1,0|1,0,1]=4 2314 B21R2.22380 CC(=O)Oc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000002173 [0,1,0,0,1,0|1,0,1]=4 2315 B21R2.22380 CC(=S)Oc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_200009816735 [0,1,0,0,1,0|1,0,1]=4 2316 B21R2.22380 CC(=S)Oc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_200009816735 [0,1,0,0,1,0|1,0,1]=4 2317 B21R2.22380 CC(C)Cc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000687309_100000185958 [0,1,0,0,1,0|1,0,1]=4 2318 B21R2.22380 CC(C)Cc1ccc(cc1)NCC(O)c2ccccc2 34a_100000687309_100000185958 [0,1,0,0,1,0|1,0,1]=4 2319 B21R2.22380 CC(C)Cc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000687309_100011933945 [0,1,0,0,1,0|1,0,1]=4 2320 B21R2.22380 CC(C)Cc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000687309_100011933945 [0,1,0,0,1,0|1,0,1]=4 2321 B21R2.22380 CC(C)Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011221366 [0,1,0,0,1,0|2,0,0]=4 2322 B21R2.22380 CC(C)Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100011221366_100000185958 [0,1,0,0,1,0|2,0,0]=4 2323 B21R2.22380 CC(C)Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011221366_100011933945 [0,1,0,0,1,0|2,0,0]=4 2324 B21R2.22380 CC(C)Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011221366 [0,1,0,0,1,0|2,0,0]=4 2325 B21R2.22380 CC(C)Nc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000219625 [0,1,0,0,1,0|2,0,0]=4 2326 B21R2.22380 CC(C)Nc1ccc(cc1)SCC(O)c2ccccc2 62a_100000219625_100000185958 [0,1,0,0,1,0|2,0,0]=4 2327 B21R2.22380 CC(C)Nc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000219625_100011933945 [0,1,0,0,1,0|2,0,0]=4 2328 B21R2.22380 CC(C)Nc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000219625 [0,1,0,0,1,0|2,0,0]=4 2329 B21R2.22380 CC(C)Oc1ccc(cc1)NCC(C)c2ccccc2 2230a_100011194259_100000756946 [0,1,0,0,1,0|1,0,1]=4 2330 B21R2.22380 CC(C)Oc1ccc(cc1)NCC(C)c2ccccc2 34a_100011194259_100000756946 [0,1,0,0,1,0|1,0,1]=4 2331 B21R2.22380 CC(C)Oc1ccc(cc1)NCC(O)c2ccccc2 2230a_100011194259_100000185958 [0,1,0,0,1,0|0,0,1]=3 2332 B21R2.22380 CC(C)Oc1ccc(cc1)NCC(O)c2ccccc2 34a_100011194259_100000185958 [0,1,0,0,1,0|0,0,1]=3 2333 B21R2.22380 CC(C)Oc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100011194259_100011933945 [0,1,0,0,1,0|0,0,1]=3 2334 B21R2.22380 CC(C)Oc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011194259_100011933945 [0,1,0,0,1,0|0,0,1]=3 2335 B21R2.22380 CC(C)Oc1ccc(cc1)OCC(C)c2ccccc2 34a_100000757185_100000756946 [0,1,0,0,1,0|2,0,0]=4 2336 B21R2.22380 CC(C)Oc1ccc(cc1)OCC(C)c2ccccc2 7a_100000757185_100000756946 [0,1,0,0,1,0|2,0,0]=4 2337 B21R2.22380 CC(C)Oc1ccc(cc1)OCC(O)c2ccccc2 34a_100000757185_100000185958 [0,1,0,0,1,0|1,0,0]=3 2338 B21R2.22380 CC(C)Oc1ccc(cc1)OCC(O)c2ccccc2 7a_100000757185_100000185958 [0,1,0,0,1,0|1,0,0]=3 2339 B21R2.22380 CC(C)Oc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000757185_100011933945 [0,1,0,0,1,0|1,0,0]=3 2340 B21R2.22380 CC(C)Oc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000757185_100011933945 [0,1,0,0,1,0|1,0,0]=3 2341 B21R2.22380 CC(C)Oc1ccc(cc1)SCC(C)c2ccccc2 62a_100000169947_100000756946 [0,1,0,0,1,0|2,0,0]=4 2342 B21R2.22380 CC(C)Oc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000169947 [0,1,0,0,1,0|2,0,0]=4 2343 B21R2.22380 CC(C)Oc1ccc(cc1)SCC(O)c2ccccc2 62a_100000169947_100000185958 [0,1,0,0,1,0|1,0,0]=3 2344 B21R2.22380 CC(C)Oc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000169947 [0,1,0,0,1,0|1,0,0]=3 2345 B21R2.22380 CC(C)Oc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000169947_100011933945 [0,1,0,0,1,0|1,0,0]=3 2346 B21R2.22380 CC(C)Oc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000169947 [0,1,0,0,1,0|1,0,0]=3 2347 B21R2.22380 CC(C)Oc1ccc(cn1)OCC(O)c2ccccc2 34a_100009858630_100000185958 [0,1,0,0,1,0|2,0,0]=4 2348 B21R2.22380 CC(C)Oc1ccc(cn1)OC[C@@H](O)c2ccccc2 34a_100009858630_100011933945 [0,1,0,0,1,0|2,0,0]=4 2349 B21R2.22380 CC(C)Oc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000688564 [0,1,0,0,1,0|2,0,0]=4 2350 B21R2.22380 CC(C)Oc1ccc(cn1)SCC(O)c2ccccc2 62a_100000688564_100000185958 [0,1,0,0,1,0|2,0,0]=4 2351 B21R2.22380 CC(C)Oc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000688564_100011933945 [0,1,0,0,1,0|2,0,0]=4 2352 B21R2.22380 CC(C)Oc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000688564 [0,1,0,0,1,0|2,0,0]=4 2353 B21R2.22380 CC(C)Oc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100012354243 [0,1,0,0,1,0|2,0,0]=4 2354 B21R2.22380 CC(C)Oc1ccc(nc1)SCC(O)c2ccccc2 62a_100012354243_100000185958 [0,1,0,0,1,0|2,0,0]=4 2355 B21R2.22380 CC(C)Oc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100012354243 [0,1,0,0,1,0|2,0,0]=4 2356 B21R2.22380 CC(C)Oc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100012354243_100011933945 [0,1,0,0,1,0|2,0,0]=4 2357 B21R2.22380 CC(C)Sc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100009811894 [0,1,0,0,1,0|1,1,0]=4 2358 B21R2.22380 CC(C)Sc1ccc(cc1)SCC(O)c2ccccc2 62a_100009811894_100000185958 [0,1,0,0,1,0|1,1,0]=4 2359 B21R2.22380 CC(C)Sc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100009811894_100011933945 [0,1,0,0,1,0|1,1,0]=4 2360 B21R2.22380 CC(C)Sc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009811894 [0,1,0,0,1,0|1,1,0]=4 2361 B21R2.22380 CC(N)Cc1ccc(cc1)OCC(O)c2ccccc2 34a_100102634573_100000185958 [0,1,0,0,1,0|2,0,0]=4 2362 B21R2.22380 CC(N)Cc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100102634573_100011933945 [0,1,0,0,1,0|2,0,0]=4 2363 B21R2.22380 OC(CNc1ccc(cc1)OC(F)F)c2ccccc2 2230a_100000183591_100000185958 [0,1,0,0,1,0|1,0,1]=4 2364 B21R2.22380 OC(CNc1ccc(cc1)OC(F)F)c2ccccc2 34a_100000183591_100000185958 [0,1,0,0,1,0|1,0,1]=4 2365 B21R2.22380 OC(COc1ccc(cc1)OC(F)F)c2ccccc2 34a_100011217645_100000185958 [0,1,0,0,1,0|2,0,0]=4 2366 B21R2.22380 OC(COc1ccc(cc1)OC(F)F)c2ccccc2 7a_100011217645_100000185958 [0,1,0,0,1,0|2,0,0]=4 2367 B21R2.22380 OC(CSc1ccc(cc1)OC(F)F)c2ccccc2 62a_100000179047_100000185958 [0,1,0,0,1,0|2,0,0]=4 2368 B21R2.22380 OC(CSc1ccc(cc1)OC(F)F)c2ccccc2 62a_100000185958_100000179047 [0,1,0,0,1,0|2,0,0]=4 2369 B21R2.22380 O[C@H](CNc1ccc(cc1)OC(F)F)c2ccccc2 2230a_100000183591_100011933945 [0,1,0,0,1,0|1,0,1]=4 2370 B21R2.22380 O[C@H](CNc1ccc(cc1)OC(F)F)c2ccccc2 34a_100000183591_100011933945 [0,1,0,0,1,0|1,0,1]=4 2371 B21R2.22380 O[C@H](COc1ccc(cc1)OC(F)F)c2ccccc2 34a_100011217645_100011933945 [0,1,0,0,1,0|2,0,0]=4 2372 B21R2.22380 O[C@H](COc1ccc(cc1)OC(F)F)c2ccccc2 7a_100011217645_100011933945 [0,1,0,0,1,0|2,0,0]=4 2373 B21R2.22380 O[C@H](CSc1ccc(cc1)OC(F)F)c2ccccc2 62a_100000179047_100011933945 [0,1,0,0,1,0|2,0,0]=4 2374 B21R2.22380 O[C@H](CSc1ccc(cc1)OC(F)F)c2ccccc2 62a_100011933945_100000179047 [0,1,0,0,1,0|2,0,0]=4 2375 B21R2.28901 CCOc1ccc(cc1)CN[C@H](CO)c2ccccc2 207a_100000751927_100000169836 [0,1,0,0,1,0|0,0,2]=4 2376 B21R2.28901 CCOc1ccc(cc1)CN[C@H](CO)c2ccccc2 270004a_100000751927_100000169836 [0,1,0,0,1,0|0,0,2]=4 2377 B21R2.28901 CCOc1ccc(cc1)NN=C(CO)c2ccccc2 4a_100000738955_100000748912 [0,1,0,0,1,0|1,0,1]=4 2378 B21R2.100081 CCOc1ccc(cc1)NCC(F)(F)c2ccccc2 34a_100000739623_100009875531 [0,1,0,0,1,0|1,0,1]=4 2379 B21R2.100081 CCOc1ccc(cc1)OCC(F)(F)c2ccccc2 34a_100000185467_100009875531 [0,1,0,0,1,0|2,0,0]=4 2380 B21R2.100081 CCOc1ccc(cc1)SCC(C)(C)c2ccccc2 62a_100000703224_100000171712 [0,1,0,0,1,0|2,0,0]=4 2381 B21R2.100081 CCOc1ccc(cc1)SCC(F)(F)c2ccccc2 62a_100009875531_100000171712 [0,1,0,0,1,0|2,0,0]=4 2382 B21R2.100105 CCCc1ccc(cc1)NCC(O)c2ccc(cc2)Cl 2230a_100000211780_200011996143 [0,1,0,0,1,0|1,0,1]=4 2383 B21R2.100105 CCCc1ccc(cc1)NCC(O)c2ccc(cc2)Cl 34a_100000211780_200011996143 [0,1,0,0,1,0|1,0,1]=4 2384 B21R2.100105 CCCc1ccc(cc1)NC[C@H](O)c2ccc(cc2)F 2230a_100000211780_100000720402 [0,1,0,0,1,0|1,0,1]=4 2385 B21R2.100105 CCCc1ccc(cc1)NC[C@H](O)c2ccc(cc2)F 34a_100000211780_100000720402 [0,1,0,0,1,0|1,0,1]=4 2386 B21R2.100105 CCCc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 34a_100000749406_200011996143 [0,1,0,0,1,0|2,0,0]=4 2387 B21R2.100105 CCCc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 7a_100000749406_200011996143 [0,1,0,0,1,0|2,0,0]=4 2388 B21R2.100105 CCCc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 34a_100000749406_100000720402 [0,1,0,0,1,0|2,0,0]=4 2389 B21R2.100105 CCCc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 7a_100000749406_100000720402 [0,1,0,0,1,0|2,0,0]=4 2390 B21R2.100105 CCCc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_100000750032_200011996143 [0,1,0,0,1,0|2,0,0]=4 2391 B21R2.100105 CCCc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000750032 [0,1,0,0,1,0|2,0,0]=4 2392 B21R2.100105 CCCc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000750032 [0,1,0,0,1,0|2,0,0]=4 2393 B21R2.100105 CCCc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000750032_100000720402 [0,1,0,0,1,0|2,0,0]=4 2394 B21R2.100105 CCNc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 34a_100011337800_200011996143 [0,1,0,0,1,0|2,0,0]=4 2395 B21R2.100105 CCNc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 7a_100011337800_200011996143 [0,1,0,0,1,0|2,0,0]=4 2396 B21R2.100105 CCNc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 34a_100011337800_100000720402 [0,1,0,0,1,0|2,0,0]=4 2397 B21R2.100105 CCNc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 7a_100011337800_100000720402 [0,1,0,0,1,0|2,0,0]=4 2398 B21R2.100105 CCNc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000219632 [0,1,0,0,1,0|2,0,0]=4 2399 B21R2.100105 CCNc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000219632 [0,1,0,0,1,0|2,0,0]=4 2400 B21R2.100105 CCOc1ccc(cc1)NCC(O)c2ccc(cc2)Cl 2230a_100000739623_200011996143 [0,1,0,0,1,0|0,0,1]=3 2401 B21R2.100105 CCOc1ccc(cc1)NCC(O)c2ccc(cc2)Cl 34a_100000739623_200011996143 [0,1,0,0,1,0|0,0,1]=3 2402 B21R2.100105 CCOc1ccc(cc1)NC[C@H](O)c2ccc(cc2)F 2230a_100000739623_100000720402 [0,1,0,0,1,0|0,0,1]=3 2403 B21R2.100105 CCOc1ccc(cc1)NC[C@H](O)c2ccc(cc2)F 34a_100000739623_100000720402 [0,1,0,0,1,0|0,0,1]=3 2404 B21R2.100105 CCOc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 34a_100000185467_200011996143 [0,1,0,0,1,0|1,0,0]=3 2405 B21R2.100105 CCOc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 34a_100000185467_100000720402 [0,1,0,0,1,0|1,0,0]=3 2406 B21R2.100105 CCOc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000171712 [0,1,0,0,1,0|1,0,0]=3 2407 B21R2.100105 CCOc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000171712 [0,1,0,0,1,0|1,0,0]=3 2408 B21R2.100105 CCOc1ccc(cn1)SCC(O)c2ccc(cc2)Cl 62a_100011219444_200011996143 [0,1,0,0,1,0|2,0,0]=4 2409 B21R2.100105 CCOc1ccc(cn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011219444 [0,1,0,0,1,0|2,0,0]=4 2410 B21R2.100105 CCOc1ccc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011219444 [0,1,0,0,1,0|2,0,0]=4 2411 B21R2.100105 CCOc1ccc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100011219444_100000720402 [0,1,0,0,1,0|2,0,0]=4 2412 B21R2.100105 CCOc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_100012355646_200011996143 [0,1,0,0,1,0|2,0,0]=4 2413 B21R2.100105 CCOc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000753957 [0,1,0,0,1,0|2,0,0]=4 2414 B21R2.100105 CCOc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000753957 [0,1,0,0,1,0|2,0,0]=4 2415 B21R2.100105 CCOc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100012355646_100000720402 [0,1,0,0,1,0|2,0,0]=4 2416 B21R2.100105 CCSc1ccc(cc1)NCC(O)c2ccc(cc2)Cl 34a_100015187087_200011996143 [0,1,0,0,1,0|0,1,1]=4 2417 B21R2.100105 CCSc1ccc(cc1)NC[C@H](O)c2ccc(cc2)F 34a_100015187087_100000720402 [0,1,0,0,1,0|0,1,1]=4 2418 B21R2.100105 CCSc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200009811893_200011996143 [0,1,0,0,1,0|1,1,0]=4 2419 B21R2.100105 CCSc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_200009811893 [0,1,0,0,1,0|1,1,0]=4 2420 B21R2.100105 CCSc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_200009811893 [0,1,0,0,1,0|1,1,0]=4 2421 B21R2.100105 CCSc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_200009811893_100000720402 [0,1,0,0,1,0|1,1,0]=4 2422 B21R2.274576 CCOc1ccc(cc1C)SCC(C)c2ccccc2 62a_100000756946_100011308936 [0,1,0,0,1,0|2,0,0]=4 2423 B21R2.274576 CCOc1ccc(cc1C)SCC(C)c2ccccc2 62a_100011308936_100000756946 [0,1,0,0,1,0|2,0,0]=4 2424 B21R2.274576 CCOc1ccc(cc1C)SCC(O)c2ccccc2 62a_100000185958_100011308936 [0,1,0,0,1,0|1,0,0]=3 2425 B21R2.274576 CCOc1ccc(cc1C)SCC(O)c2ccccc2 62a_100011308936_100000185958 [0,1,0,0,1,0|1,0,0]=3 2426 B21R2.274576 CCOc1ccc(cc1C)SC[C@@H](O)c2ccccc2 62a_100011308936_100011933945 [0,1,0,0,1,0|1,0,0]=3 2427 B21R2.274576 CCOc1ccc(cc1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100011308936 [0,1,0,0,1,0|1,0,0]=3 2428 B21R2.274576 CCOc1ccc(cc1Cl)NCC(C)c2ccccc2 2230a_100000741444_100000756946 [0,1,0,0,1,0|1,0,1]=4 2429 B21R2.274576 CCOc1ccc(cc1Cl)NCC(C)c2ccccc2 34a_100000741444_100000756946 [0,1,0,0,1,0|1,0,1]=4 2430 B21R2.274576 CCOc1ccc(cc1Cl)NCC(C)c2ccccc2 7a_100000741444_100000756946 [0,1,0,0,1,0|1,0,1]=4 2431 B21R2.274576 CCOc1ccc(cc1Cl)NCC(O)c2ccccc2 2230a_100000741444_100000185958 [0,1,0,0,1,0|0,0,1]=3 2432 B21R2.274576 CCOc1ccc(cc1Cl)NCC(O)c2ccccc2 34a_100000741444_100000185958 [0,1,0,0,1,0|0,0,1]=3 2433 B21R2.274576 CCOc1ccc(cc1Cl)NCC(O)c2ccccc2 7a_100000741444_100000185958 [0,1,0,0,1,0|0,0,1]=3 2434 B21R2.274576 CCOc1ccc(cc1Cl)NC[C@@H](O)c2ccccc2 2230a_100000741444_100011933945 [0,1,0,0,1,0|0,0,1]=3 2435 B21R2.274576 CCOc1ccc(cc1Cl)NC[C@@H](O)c2ccccc2 34a_100000741444_100011933945 [0,1,0,0,1,0|0,0,1]=3 2436 B21R2.274576 CCOc1ccc(cc1Cl)NC[C@@H](O)c2ccccc2 7a_100000741444_100011933945 [0,1,0,0,1,0|0,0,1]=3 2437 B21R2.274576 CCOc1ccc(cc1F)OCC(C)c2ccccc2 34a_100012771078_100000756946 [0,1,0,0,1,0|2,0,0]=4 2438 B21R2.274576 CCOc1ccc(cc1F)OCC(C)c2ccccc2 7a_100012771078_100000756946 [0,1,0,0,1,0|2,0,0]=4 2439 B21R2.274576 CCOc1ccc(cc1F)OCC(O)c2ccccc2 34a_100012771078_100000185958 [0,1,0,0,1,0|1,0,0]=3 2440 B21R2.274576 CCOc1ccc(cc1F)OCC(O)c2ccccc2 7a_100012771078_100000185958 [0,1,0,0,1,0|1,0,0]=3 2441 B21R2.274576 CCOc1ccc(cc1F)OC[C@@H](O)c2ccccc2 34a_100012771078_100011933945 [0,1,0,0,1,0|1,0,0]=3 2442 B21R2.274576 CCOc1ccc(cc1F)OC[C@@H](O)c2ccccc2 7a_100012771078_100011933945 [0,1,0,0,1,0|1,0,0]=3 2443 B21R2.274576 CCOc1ccc(cc1F)SCC(C)c2ccccc2 62a_100000756946_200000171753 [0,1,0,0,1,0|2,0,0]=4 2444 B21R2.274576 CCOc1ccc(cc1F)SCC(C)c2ccccc2 62a_200000171753_100000756946 [0,1,0,0,1,0|2,0,0]=4 2445 B21R2.274576 CCOc1ccc(cc1F)SCC(O)c2ccccc2 62a_100000185958_200000171753 [0,1,0,0,1,0|1,0,0]=3 2446 B21R2.274576 CCOc1ccc(cc1F)SCC(O)c2ccccc2 62a_200000171753_100000185958 [0,1,0,0,1,0|1,0,0]=3 2447 B21R2.274576 CCOc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_200000171753 [0,1,0,0,1,0|1,0,0]=3 2448 B21R2.274576 CCOc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_200000171753_100011933945 [0,1,0,0,1,0|1,0,0]=3 2449 B21R2.274576 CCOc1ccc(cc1N)SCC(C)c2ccccc2 62a_100000751366_100000756946 [0,1,0,0,1,0|2,0,0]=4 2450 B21R2.274576 CCOc1ccc(cc1N)SCC(O)c2ccccc2 62a_100000751366_100000185958 [0,1,0,0,1,0|1,0,0]=3 2451 B21R2.274576 CCOc1ccc(cc1N)SC[C@@H](O)c2ccccc2 62a_100000751366_100011933945 [0,1,0,0,1,0|1,0,0]=3 2452 B21R2.274576 CCOc1ncc(cc1C)SCC(O)c2ccccc2 62a_100000185958_100012351028 [0,1,0,0,1,0|2,0,0]=4 2453 B21R2.274576 CCOc1ncc(cc1C)SCC(O)c2ccccc2 62a_100012351028_100000185958 [0,1,0,0,1,0|2,0,0]=4 2454 B21R2.274576 CCOc1ncc(cc1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100012351028 [0,1,0,0,1,0|2,0,0]=4 2455 B21R2.274576 CCOc1ncc(cc1C)SC[C@@H](O)c2ccccc2 62a_100012351028_100011933945 [0,1,0,0,1,0|2,0,0]=4 2456 B21R2.274576 CCOc1ncc(cc1N)SCC(O)c2ccccc2 62a_100000185958_100011433076 [0,1,0,0,1,0|2,0,0]=4 2457 B21R2.274576 CCOc1ncc(cc1N)SCC(O)c2ccccc2 62a_100011433076_100000185958 [0,1,0,0,1,0|2,0,0]=4 2458 B21R2.274576 CCOc1ncc(cc1N)SC[C@@H](O)c2ccccc2 62a_100011433076_100011933945 [0,1,0,0,1,0|2,0,0]=4 2459 B21R2.274576 CCOc1ncc(cc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100011433076 [0,1,0,0,1,0|2,0,0]=4 2460 B23R2.2338 CCOc1ccc(cc1)OCCN[C@H](CO)c2ccccc2 2230a_100000751927_100000183166 [0,1,0,0,0,1|2,0,0]=4 2461 B23R2.2338 CCOc1ccc(cc1)OCCN[C@H](CO)c2ccccc2 34a_100000751927_100000183166 [0,1,0,0,0,1|2,0,0]=4 2462 B23R2.2371 CCOc1ccc(cc1)CCNCC(O)c2ccc(cc2)Cl 2230a_100011194255_200011996143 [0,1,0,0,0,1|0,0,2]=4 2463 B23R2.2371 CCOc1ccc(cc1)CCNCC(O)c2ccc(cc2)Cl 34a_100011194255_200011996143 [0,1,0,0,0,1|0,0,2]=4 2464 B23R2.2371 CCOc1ccc(cc1)CCNC[C@H](O)c2ccc(cc2)F 2230a_100011194255_100000720402 [0,1,0,0,0,1|0,0,2]=4 2465 B23R2.2371 CCOc1ccc(cc1)CCNC[C@H](O)c2ccc(cc2)F 34a_100011194255_100000720402 [0,1,0,0,0,1|0,0,2]=4 2466 B23R2.2371 CCOc1ccc(cc1)CCOCC(O)c2ccc(cc2)Cl 34a_100011217992_200011996143 [0,1,0,0,0,1|1,0,1]=4 2467 B23R2.2371 CCOc1ccc(cc1)CCOCC(O)c2ccc(cc2)Cl 7a_100011217992_200011996143 [0,1,0,0,0,1|1,0,1]=4 2468 B23R2.2371 CCOc1ccc(cc1)CCOC[C@H](O)c2ccc(cc2)F 34a_100011217992_100000720402 [0,1,0,0,0,1|1,0,1]=4 2469 B23R2.2371 CCOc1ccc(cc1)CCOC[C@H](O)c2ccc(cc2)F 7a_100011217992_100000720402 [0,1,0,0,0,1|1,0,1]=4 2470 B23R2.2404 CCCc1ccc(cc1)CC(=O)CC[C@@H](O)c2ccccc2 1458a_100000186164_100000729684 [0,1,0,0,0,1|2,0,0]=4 2471 B23R2.2404 CCCc1ccc(cc1)CC(=O)NCC(O)c2ccccc2 240690a_100000210709_100000186164 [0,1,0,0,0,1|1,0,1]=4 2472 B23R2.2404 CCCc1ccc(cc1)CC(=O)NCC(O)c2ccccc2 527a_100000210709_100000186164 [0,1,0,0,0,1|1,0,1]=4 2473 B23R2.2404 CCCc1ccc(cc1)NC(=O)NCC(O)c2ccccc2 2430a_100000211780_100000210709 [0,1,0,0,0,1|1,0,1]=4 2474 B23R2.2404 CCOc1ccc(cc1)CC(=O)CC[C@@H](O)c2ccccc2 1458a_100000183096_100000729684 [0,1,0,0,0,1|1,0,0]=3 2475 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(C)c2ccccc2 11a_100000701038_100000183096 [0,1,0,0,0,1|1,0,1]=4 2476 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(C)c2ccccc2 1626a_100000701038_100000183096 [0,1,0,0,0,1|1,0,1]=4 2477 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(C)c2ccccc2 240690a_100000701038_100000183096 [0,1,0,0,0,1|1,0,1]=4 2478 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(C)c2ccccc2 527a_100000701038_100000183096 [0,1,0,0,0,1|1,0,1]=4 2479 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(O)c2ccccc2 240690a_100000210709_100000183096 [0,1,0,0,0,1|0,0,1]=3 2480 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(O)c2ccccc2 527a_100000210709_100000183096 [0,1,0,0,0,1|0,0,1]=3 2481 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(O)c2ccccn2 240690a_100000691469_100000183096 [0,1,0,0,0,1|1,0,1]=4 2482 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(O)c2ccccn2 527a_100000691469_100000183096 [0,1,0,0,0,1|1,0,1]=4 2483 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(O)c2cccnc2 240690a_100020605170_100000183096 [0,1,0,0,0,1|1,0,1]=4 2484 B23R2.2404 CCOc1ccc(cc1)CC(=O)NCC(O)c2cccnc2 527a_100020605170_100000183096 [0,1,0,0,0,1|1,0,1]=4 2485 B23R2.2404 CCOc1ccc(cc1)CC(C)NCC(O)c2ccccc2 270004a_100000210709_200011996056 [0,1,0,0,0,1|0,0,2]=4 2486 B23R2.2404 CCOc1ccc(cc1)CN(C)CCC(O)c2ccccc2 270004a_100011218556_100000169836 [0,1,0,0,0,1|0,0,2]=4 2487 B23R2.2404 CCOc1ccc(cc1)CN(C)CC[C@@H](O)c2ccccc2 2230a_100000180828_100000729684 [0,1,0,0,0,1|0,0,2]=4 2488 B23R2.2404 CCOc1ccc(cc1)CN(C)CC[C@@H](O)c2ccccc2 269982a_100000180828_100000729684 [0,1,0,0,0,1|0,0,2]=4 2489 B23R2.2404 CCOc1ccc(cc1)NC(=O)NCC(C)c2ccccc2 2430a_100000739623_100000701038 [0,1,0,0,0,1|1,0,1]=4 2490 B23R2.2404 CCOc1ccc(cc1)NC(=O)NCC(O)c2ccccc2 2430a_100000739623_100000210709 [0,1,0,0,0,1|0,0,1]=3 2491 B23R2.2404 CCOc1ccc(cc1)NC(=O)NCC(O)c2ccccn2 2430a_100000739623_100000691469 [0,1,0,0,0,1|1,0,1]=4 2492 B23R2.2404 CCOc1ccc(cc1)NC(=O)NCC(O)c2cccnc2 2430a_100000739623_100020605170 [0,1,0,0,0,1|1,0,1]=4 2493 B23R2.2404 CCSc1ccc(cc1)NC(=O)NCC(O)c2ccccc2 2430a_100015187087_100000210709 [0,1,0,0,0,1|0,1,1]=4 2494 B23R2.2408 CCOc1ccc(cc1)OCCC(=O)[C@H](O)c2ccccc2 1458a_100000684486_100000183166 [0,1,0,0,0,1|2,0,0]=4 2495 B23R2.3731 CCCOc1ccc(cc1)CNCCC(O)c2ccccc2 207a_100000763605_100000169838 [0,1,0,0,0,1|0,0,2]=4 2496 B23R2.3731 CCCOc1ccc(cc1)CNCCC(O)c2ccccc2 2230a_100000763605_100000691472 [0,1,0,0,0,1|0,0,2]=4 2497 B23R2.3731 CCCOc1ccc(cc1)CNCCC(O)c2ccccc2 270004a_100000763605_100000169838 [0,1,0,0,0,1|0,0,2]=4 2498 B23R2.3731 CCCOc1ccc(cc1)COCC[C@@H](O)c2ccccc2 34a_100000173360_100000729684 [0,1,0,0,0,1|1,0,1]=4 2499 B23R2.3731 CCCOc1ccc(cc1)COCC[C@@H](O)c2ccccc2 7a_100000173360_100000729684 [0,1,0,0,0,1|1,0,1]=4 2500 B23R2.3731 CCCOc1ccc(cc1)CSCC[C@@H](O)c2ccccc2 62a_100000729684_100000691472 [0,1,0,0,0,1|1,0,1]=4 2501 B23R2.3731 CCOCc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 2230a_100000737407_100000729684 [0,1,0,0,0,1|0,0,2]=4 2502 B23R2.3731 CCOCc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 34a_100000737407_100000729684 [0,1,0,0,0,1|0,0,2]=4 2503 B23R2.3731 OCCOc1ccc(cc1)CNCCC(O)c2ccccc2 207a_100000763605_100011219967 [0,1,0,0,0,1|0,0,2]=4 2504 B23R2.3731 OCCOc1ccc(cc1)CNCCC(O)c2ccccc2 270004a_100000763605_100011219967 [0,1,0,0,0,1|0,0,2]=4 2505 B23R2.29481 CC(C)Oc1ccc(cc1)CCNCC(O)c2ccccc2 2230a_100015183000_100000185958 [0,1,0,0,0,1|0,0,2]=4 2506 B23R2.29481 CC(C)Oc1ccc(cc1)CCNCC(O)c2ccccc2 34a_100015183000_100000185958 [0,1,0,0,0,1|0,0,2]=4 2507 B23R2.29481 CC(C)Oc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 2230a_100015183000_100011933945 [0,1,0,0,0,1|0,0,2]=4 2508 B23R2.29481 CC(C)Oc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 34a_100015183000_100011933945 [0,1,0,0,0,1|0,0,2]=4 2509 B23R2.29481 CC(C)Oc1ccc(cc1)CNCCC(O)c2ccccc2 207a_100000763605_100000169837 [0,1,0,0,0,1|0,0,2]=4 2510 B23R2.29481 CC(C)Oc1ccc(cc1)CNCCC(O)c2ccccc2 270004a_100000763605_100000169837 [0,1,0,0,0,1|0,0,2]=4 2511 B23R2.29481 CC(C)Oc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 2230a_100020586559_100000729684 [0,1,0,0,0,1|0,0,2]=4 2512 B23R2.29481 CC(C)Oc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 34a_100020586559_100000729684 [0,1,0,0,0,1|0,0,2]=4 2513 B23R2.29481 CC(C)Oc1ccc(cc1)COCC[C@@H](O)c2ccccc2 34a_100000173089_100000729684 [0,1,0,0,0,1|1,0,1]=4 2514 B23R2.29481 CC(C)Oc1ccc(cc1)COCC[C@@H](O)c2ccccc2 7a_100000173089_100000729684 [0,1,0,0,0,1|1,0,1]=4 2515 B23R2.29481 CC(C)Oc1ccc(cc1)NN=CCC(C)c2ccccc2 4a_100016991999_100000189432 [0,1,0,0,0,1|2,0,0]=4 2516 B23R2.167193 CCOc1ccc(cc1)C=CC(=O)CC(C)c2ccccc2 1458a_100000690215_100000756946 [0,1,0,0,0,1|2,0,0]=4 2517 B23R2.167193 CCOc1ccc(cc1)C=CC(=O)CC(O)c2ccccc2 1458a_100000690215_100000185958 [0,1,0,0,0,1|1,0,0]=3 2518 B23R2.167193 CCOc1ccc(cc1)C=CC(=O)C[C@@H](O)c2ccccc2 1458a_100000690215_100011933945 [0,1,0,0,0,1|1,0,0]=3 2519 B23R2.167193 CCOc1ccc(cc1)CCC(=O)CC(O)c2ccccc2 1458a_100000743745_100000185958 [0,1,0,0,0,1|1,0,1]=4 2520 B23R2.167193 CCOc1ccc(cc1)CCC(=O)C[C@@H](O)c2ccccc2 1458a_100000743745_100011933945 [0,1,0,0,0,1|1,0,1]=4 2521 B23R2.167193 CCOc1ccc(cc1)CNC(=O)CC(O)c2ccccc2 240690a_100000185588_100000690199 [0,1,0,0,0,1|0,0,2]=4 2522 B23R2.167193 CCOc1ccc(cc1)NNC(=O)CC(O)c2ccccc2 22a_100000738955_100000690199 [0,1,0,0,0,1|1,0,1]=4 2523 B23R2.167193 CCOc1ccc(cc1)OCC(=O)CC(O)c2ccccc2 1458a_100000183567_100000185958 [0,1,0,0,0,1|1,0,1]=4 2524 B23R2.167193 CCOc1ccc(cc1)OCC(=O)C[C@@H](O)c2ccccc2 1458a_100000183567_100011933945 [0,1,0,0,0,1|1,0,1]=4 2525 B23R2.167193 CCOc1ccc(cc1)SCC(=O)CC(O)c2ccccc2 1458a_100000016182_100000185958 [0,1,0,0,0,1|1,0,1]=4 2526 B23R2.167193 CCOc1ccc(cc1)SCC(=O)C[C@@H](O)c2ccccc2 1458a_100000016182_100011933945 [0,1,0,0,0,1|1,0,1]=4 2527 B23R2.167973 CCCc1ccc(cc1)C(=O)CNCC(O)c2ccccc2 2230a_100000210709_100000183362 [0,1,0,0,0,1|1,0,1]=4 2528 B23R2.167973 CCCc1ccc(cc1)C(=O)CSCC(O)c2ccccc2 62a_100000183362_100000185958 [0,1,0,0,0,1|2,0,0]=4 2529 B23R2.167973 CCCc1ccc(cc1)C(=O)CSCC(O)c2ccccc2 62a_100000185958_100000183362 [0,1,0,0,0,1|2,0,0]=4 2530 B23R2.167973 CCCc1ccc(cc1)C(=O)CSC[C@@H](O)c2ccccc2 62a_100000183362_100011933945 [0,1,0,0,0,1|2,0,0]=4 2531 B23R2.167973 CCCc1ccc(cc1)C(=O)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000183362 [0,1,0,0,0,1|2,0,0]=4 2532 B23R2.167973 CCCc1ccc(cc1)C(=O)NCCC(O)c2ccccc2 240690a_100000763605_100011207308 [0,1,0,0,0,1|1,0,1]=4 2533 B23R2.167973 CCCc1ccc(cc1)C(=O)NCCC(O)c2ccccc2 527a_100000763605_100011207308 [0,1,0,0,0,1|1,0,1]=4 2534 B23R2.167973 CCOc1ccc(cc1)C(=O)CNCC(C)c2ccccc2 2230a_100000701038_100000203716 [0,1,0,0,0,1|1,0,1]=4 2535 B23R2.167973 CCOc1ccc(cc1)C(=O)CNCC(O)c2ccccc2 2230a_100000210709_100000203716 [0,1,0,0,0,1|0,0,1]=3 2536 B23R2.167973 CCOc1ccc(cc1)C(=O)CNCC(O)c2ccccn2 2230a_100000691469_100000203716 [0,1,0,0,0,1|1,0,1]=4 2537 B23R2.167973 CCOc1ccc(cc1)C(=O)CNCC(O)c2cccnc2 2230a_100020605170_100000203716 [0,1,0,0,0,1|1,0,1]=4 2538 B23R2.167973 CCOc1ccc(cc1)C(=O)COCC(C)c2ccccc2 7a_100011215166_100000203716 [0,1,0,0,0,1|2,0,0]=4 2539 B23R2.167973 CCOc1ccc(cc1)C(=O)CSCC(C)c2ccccc2 62a_100000203716_100000756946 [0,1,0,0,0,1|2,0,0]=4 2540 B23R2.167973 CCOc1ccc(cc1)C(=O)CSCC(O)c2ccccc2 62a_100000203716_100000185958 [0,1,0,0,0,1|1,0,0]=3 2541 B23R2.167973 CCOc1ccc(cc1)C(=O)CSC[C@@H](O)c2ccccc2 62a_100000203716_100011933945 [0,1,0,0,0,1|1,0,0]=3 2542 B23R2.167973 CCOc1ccc(cc1)C(=O)NCCC(O)c2ccccc2 240690a_100000763605_100000181891 [0,1,0,0,0,1|0,0,1]=3 2543 B23R2.167973 CCOc1ccc(cc1)C(=O)NCCC(O)c2ccccc2 527a_100000763605_100000181891 [0,1,0,0,0,1|0,0,1]=3 2544 B23R2.167973 CCOc1ccc(cc1)C(=O)NN=CC(C)c2ccccc2 4a_100000182907_100000212034 [0,1,0,0,0,1|1,0,1]=4 2545 B23R2.167973 CCOc1ccc(cc1)C(C)NCCC(O)c2ccccc2 269862a_100000763605_100000169860 [0,1,0,0,0,1|0,0,2]=4 2546 B23R2.167973 CCOc1ccc(cc1)C(C)NCC[C@@H](O)c2ccccc2 2230a_100000740525_100000729684 [0,1,0,0,0,1|0,0,2]=4 2547 B23R2.167973 CCOc1ccc(cc1)[C@@H](C)OCC[C@@H](O)c2ccccc2 34a_100000761365_100000729684 [0,1,0,0,0,1|1,0,1]=4 2548 B23R2.167973 CCOc1ccc(cc1)[C@@H](C)OCC[C@@H](O)c2ccccc2 7a_100000761365_100000729684 [0,1,0,0,0,1|1,0,1]=4 2549 B23R2.167973 CCSc1ccc(cc1)C(=O)NCCC(O)c2ccccc2 240690a_100000763605_100000244969 [0,1,0,0,0,1|0,1,1]=4 2550 B23R2.167973 CCSc1ccc(cc1)C(=O)NCCC(O)c2ccccc2 527a_100000763605_100000244969 [0,1,0,0,0,1|0,1,1]=4 2551 B23R2.168449 CCOc1ccc(cc1Br)CNCCC(O)c2ccccc2 207a_100000763605_100000173028 [0,1,0,0,0,1|0,0,2]=4 2552 B23R2.168449 CCOc1ccc(cc1Br)CNCCC(O)c2ccccc2 270004a_100000763605_100000173028 [0,1,0,0,0,1|0,0,2]=4 2553 B23R2.168449 CCOc1ccc(cc1Br)COCC[C@@H](O)c2ccccc2 34a_200011800839_100000729684 [0,1,0,0,0,1|1,0,1]=4 2554 B23R2.168449 CCOc1ccc(cc1Br)COCC[C@@H](O)c2ccccc2 7a_200011800839_100000729684 [0,1,0,0,0,1|1,0,1]=4 2555 B23R2.168449 CCOc1ccc(cc1C)CNCCC(O)c2ccccc2 207a_100000763605_100012017204 [0,1,0,0,0,1|0,0,2]=4 2556 B23R2.168449 CCOc1ccc(cc1C)CNCCC(O)c2ccccc2 270004a_100000763605_100012017204 [0,1,0,0,0,1|0,0,2]=4 2557 B23R2.168449 CCOc1ccc(cc1Cl)CNCCC(O)c2ccccc2 207a_100000763605_200000188301 [0,1,0,0,0,1|0,0,2]=4 2558 B23R2.168449 CCOc1ccc(cc1Cl)CNCCC(O)c2ccccc2 270004a_100000763605_200000188301 [0,1,0,0,0,1|0,0,2]=4 2559 B23R2.168449 CCOc1ccc(cc1Cl)COCC[C@@H](O)c2ccccc2 34a_200011523292_100000729684 [0,1,0,0,0,1|1,0,1]=4 2560 B23R2.168449 CCOc1ccc(cc1Cl)COCC[C@@H](O)c2ccccc2 7a_200011523292_100000729684 [0,1,0,0,0,1|1,0,1]=4 2561 B23R2.168449 CCOc1ccc(cc1I)CNCCC(O)c2ccccc2 207a_100000763605_200000123116 [0,1,0,0,0,1|0,0,2]=4 2562 B23R2.168449 CCOc1ccc(cc1I)CNCCC(O)c2ccccc2 269862a_100000763605_200000123116 [0,1,0,0,0,1|0,0,2]=4 2563 B23R2.168449 CCOc1ccc(cc1I)CNCCC(O)c2ccccc2 270004a_100000763605_200000123116 [0,1,0,0,0,1|0,0,2]=4 2564 B23R2.524798 CCOc1ccc(c(c1)Br)CNCCC(O)c2ccccc2 207a_100000763605_200012721597 [0,1,0,0,0,1|0,0,2]=4 2565 B23R2.524798 CCOc1ccc(c(c1)Br)CNCCC(O)c2ccccc2 270004a_100000763605_200012721597 [0,1,0,0,0,1|0,0,2]=4 2566 B23R2.524798 CCOc1ccc(c(c1)C)CNCCC(O)c2ccccc2 207a_100000763605_100011361535 [0,1,0,0,0,1|0,0,2]=4 2567 B23R2.524798 CCOc1ccc(c(c1)C)CNCCC(O)c2ccccc2 270004a_100000763605_100011361535 [0,1,0,0,0,1|0,0,2]=4 2568 B23R2.524798 CCOc1ccc(c(c1)F)CNCCC(O)c2ccccc2 2230a_100000763605_200016184943 [0,1,0,0,0,1|0,0,2]=4 2569 B23R2.524798 CCOc1ccc(c(c1)F)COCC[C@@H](O)c2ccccc2 34a_200015831911_100000729684 [0,1,0,0,0,1|1,0,1]=4 2570 B23R2.524798 CCOc1ccc(c(c1)F)COCC[C@@H](O)c2ccccc2 7a_200015831911_100000729684 [0,1,0,0,0,1|1,0,1]=4 2571 B23R2.524798 CCOc1ccc(c(c1)F)CSCC[C@@H](O)c2ccccc2 62a_100000729684_200016184943 [0,1,0,0,0,1|1,0,1]=4 2572 B23R2.524798 CCOc1ccc(c(c1)F)CSCC[C@@H](O)c2ccccc2 62a_200016184943_100000729684 [0,1,0,0,0,1|1,0,1]=4 2573 B23R2.2368 CCOc1ccc(cc1)CNCC(CO)Cc2ccccc2 207a_100160572655_100000169836 [0,1,0,0,0,1|0,0,2]=4 2574 B23R2.2368 CCOc1ccc(cc1)CNCC(CO)Cc2ccccc2 270004a_100160572655_100000169836 [0,1,0,0,0,1|0,0,2]=4 2575 B23R2.2382 CCCc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2 240690a_100000752270_100011207308 [0,1,0,0,0,1|1,0,1]=4 2576 B23R2.2382 CCCc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2 527a_100000752270_100011207308 [0,1,0,0,0,1|1,0,1]=4 2577 B23R2.2382 CCOc1ccc(cc1)C(=O)NCC(C)Oc2ccccc2 11a_100000755676_100000181891 [0,1,0,0,0,1|1,0,1]=4 2578 B23R2.2382 CCOc1ccc(cc1)C(=O)NCC(C)Oc2ccccc2 1626a_100000755676_100000181891 [0,1,0,0,0,1|1,0,1]=4 2579 B23R2.2382 CCOc1ccc(cc1)C(=O)NCC(C)Oc2ccccc2 240690a_100000755676_100000181891 [0,1,0,0,0,1|1,0,1]=4 2580 B23R2.2382 CCOc1ccc(cc1)C(=O)NCC(C)Oc2ccccc2 527a_100000755676_100000181891 [0,1,0,0,0,1|1,0,1]=4 2581 B23R2.2382 CCOc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2 240690a_100000752270_100000181891 [0,1,0,0,0,1|0,0,1]=3 2582 B23R2.2382 CCOc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2 527a_100000752270_100000181891 [0,1,0,0,0,1|0,0,1]=3 2583 B23R2.2382 CCOc1ccc(cc1)C(C)NCC(O)Cc2ccccc2 269862a_100000752270_100000169860 [0,1,0,0,0,1|0,0,2]=4 2584 B23R2.2382 CCOc1ccc(cc1)C(C)NC[C@@H](O)Cc2ccccc2 2230a_100000740525_100000729385 [0,1,0,0,0,1|0,0,2]=4 2585 B23R2.2382 CCOc1ccc(cc1)[C@@H](C)OC[C@@H](O)Cc2ccccc2 34a_100000761365_100000729385 [0,1,0,0,0,1|1,0,1]=4 2586 B23R2.2382 CCOc1ccc(cc1)[C@@H](C)OC[C@@H](O)Cc2ccccc2 7a_100000761365_100000729385 [0,1,0,0,0,1|1,0,1]=4 2587 B23R2.2382 CCSc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2 240690a_100000752270_100000244969 [0,1,0,0,0,1|0,1,1]=4 2588 B23R2.2382 CCSc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2 527a_100000752270_100000244969 [0,1,0,0,0,1|0,1,1]=4 2589 B23R2.3734 CCCOc1ccc(cc1)CNCC(O)Cc2ccccc2 207a_100000752270_100000169838 [0,1,0,0,0,1|0,0,2]=4 2590 B23R2.3734 CCCOc1ccc(cc1)CNCC(O)Cc2ccccc2 2230a_100000752270_100000691472 [0,1,0,0,0,1|0,0,2]=4 2591 B23R2.3734 CCCOc1ccc(cc1)CNCC(O)Cc2ccccc2 270004a_100000752270_100000169838 [0,1,0,0,0,1|0,0,2]=4 2592 B23R2.3734 CCCOc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 34a_100000173360_100000729385 [0,1,0,0,0,1|1,0,1]=4 2593 B23R2.3734 CCCOc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 7a_100000173360_100000729385 [0,1,0,0,0,1|1,0,1]=4 2594 B23R2.3734 CCCOc1ccc(cc1)CSC[C@@H](O)Cc2ccccc2 62a_100000729385_100000691472 [0,1,0,0,0,1|1,0,1]=4 2595 B23R2.3734 CCOCc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 2230a_100000737407_100000729385 [0,1,0,0,0,1|0,0,2]=4 2596 B23R2.3734 CCOCc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 34a_100000737407_100000729385 [0,1,0,0,0,1|0,0,2]=4 2597 B23R2.3734 OCCOc1ccc(cc1)CNCC(O)Cc2ccccc2 207a_100000752270_100011219967 [0,1,0,0,0,1|0,0,2]=4 2598 B23R2.3734 OCCOc1ccc(cc1)CNCC(O)Cc2ccccc2 270004a_100000752270_100011219967 [0,1,0,0,0,1|0,0,2]=4 2599 B23R2.29482 CC(C)Oc1ccc(cc1)CNCC(O)Cc2ccccc2 207a_100000752270_100000169837 [0,1,0,0,0,1|0,0,2]=4 2600 B23R2.29482 CC(C)Oc1ccc(cc1)CNCC(O)Cc2ccccc2 270004a_100000752270_100000169837 [0,1,0,0,0,1|0,0,2]=4 2601 B23R2.29482 CC(C)Oc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 2230a_100020586559_100000729385 [0,1,0,0,0,1|0,0,2]=4 2602 B23R2.29482 CC(C)Oc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 34a_100020586559_100000729385 [0,1,0,0,0,1|0,0,2]=4 2603 B23R2.29482 CC(C)Oc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 34a_100000173089_100000729385 [0,1,0,0,0,1|1,0,1]=4 2604 B23R2.29482 CC(C)Oc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 7a_100000173089_100000729385 [0,1,0,0,0,1|1,0,1]=4 2605 B23R2.168452 CCOc1ccc(cc1Br)CNCC(O)Cc2ccccc2 207a_100000752270_100000173028 [0,1,0,0,0,1|0,0,2]=4 2606 B23R2.168452 CCOc1ccc(cc1Br)CNCC(O)Cc2ccccc2 270004a_100000752270_100000173028 [0,1,0,0,0,1|0,0,2]=4 2607 B23R2.168452 CCOc1ccc(cc1Br)COC[C@@H](O)Cc2ccccc2 34a_200011800839_100000729385 [0,1,0,0,0,1|1,0,1]=4 2608 B23R2.168452 CCOc1ccc(cc1Br)COC[C@@H](O)Cc2ccccc2 7a_200011800839_100000729385 [0,1,0,0,0,1|1,0,1]=4 2609 B23R2.168452 CCOc1ccc(cc1C)CNCC(O)Cc2ccccc2 207a_100000752270_100012017204 [0,1,0,0,0,1|0,0,2]=4 2610 B23R2.168452 CCOc1ccc(cc1C)CNCC(O)Cc2ccccc2 270004a_100000752270_100012017204 [0,1,0,0,0,1|0,0,2]=4 2611 B23R2.168452 CCOc1ccc(cc1Cl)CNCC(O)Cc2ccccc2 207a_100000752270_200000188301 [0,1,0,0,0,1|0,0,2]=4 2612 B23R2.168452 CCOc1ccc(cc1Cl)CNCC(O)Cc2ccccc2 270004a_100000752270_200000188301 [0,1,0,0,0,1|0,0,2]=4 2613 B23R2.168452 CCOc1ccc(cc1Cl)COC[C@@H](O)Cc2ccccc2 34a_200011523292_100000729385 [0,1,0,0,0,1|1,0,1]=4 2614 B23R2.168452 CCOc1ccc(cc1Cl)COC[C@@H](O)Cc2ccccc2 7a_200011523292_100000729385 [0,1,0,0,0,1|1,0,1]=4 2615 B23R2.168452 CCOc1ccc(cc1I)CNCC(O)Cc2ccccc2 207a_100000752270_200000123116 [0,1,0,0,0,1|0,0,2]=4 2616 B23R2.168452 CCOc1ccc(cc1I)CNCC(O)Cc2ccccc2 269862a_100000752270_200000123116 [0,1,0,0,0,1|0,0,2]=4 2617 B23R2.168452 CCOc1ccc(cc1I)CNCC(O)Cc2ccccc2 270004a_100000752270_200000123116 [0,1,0,0,0,1|0,0,2]=4 2618 B23R2.169863 CCOc1ccc(cc1)CN(C)C[C@@H](O)Cc2ccccc2 2230a_100000180828_100000729385 [0,1,0,0,0,1|0,0,2]=4 2619 B23R2.169863 CCOc1ccc(cc1)CN(C)C[C@@H](O)Cc2ccccc2 269982a_100000180828_100000729385 [0,1,0,0,0,1|0,0,2]=4 2620 B23R2.524784 CCOc1ccc(c(c1)Br)CNCC(O)Cc2ccccc2 207a_100000752270_200012721597 [0,1,0,0,0,1|0,0,2]=4 2621 B23R2.524784 CCOc1ccc(c(c1)Br)CNCC(O)Cc2ccccc2 270004a_100000752270_200012721597 [0,1,0,0,0,1|0,0,2]=4 2622 B23R2.524784 CCOc1ccc(c(c1)C)CNCC(O)Cc2ccccc2 207a_100000752270_100011361535 [0,1,0,0,0,1|0,0,2]=4 2623 B23R2.524784 CCOc1ccc(c(c1)C)CNCC(O)Cc2ccccc2 270004a_100000752270_100011361535 [0,1,0,0,0,1|0,0,2]=4 2624 B23R2.524784 CCOc1ccc(c(c1)F)CNCC(O)Cc2ccccc2 2230a_100000752270_200016184943 [0,1,0,0,0,1|0,0,2]=4 2625 B23R2.524784 CCOc1ccc(c(c1)F)COC[C@@H](O)Cc2ccccc2 34a_200015831911_100000729385 [0,1,0,0,0,1|1,0,1]=4 2626 B23R2.524784 CCOc1ccc(c(c1)F)COC[C@@H](O)Cc2ccccc2 7a_200015831911_100000729385 [0,1,0,0,0,1|1,0,1]=4 2627 B23R2.524784 CCOc1ccc(c(c1)F)CSC[C@@H](O)Cc2ccccc2 62a_100000729385_200016184943 [0,1,0,0,0,1|1,0,1]=4 2628 B23R2.524784 CCOc1ccc(c(c1)F)CSC[C@@H](O)Cc2ccccc2 62a_200016184943_100000729385 [0,1,0,0,0,1|1,0,1]=4 2629 B23R2.3717 CC(O)(CNCc1ccc(cc1)OCCO)c2ccccc2 207a_100011660926_100011219967 [0,2,0,0,0,0|0,0,2]=4 2630 B23R2.3717 CC(O)(CNCc1ccc(cc1)OCCO)c2ccccc2 270004a_100011660926_100011219967 [0,2,0,0,0,0|0,0,2]=4 2631 B23R2.3717 CCCOc1ccc(cc1)CNCC(C)(O)c2ccccc2 207a_100011660926_100000169838 [0,2,0,0,0,0|0,0,2]=4 2632 B23R2.3717 CCCOc1ccc(cc1)CNCC(C)(O)c2ccccc2 2230a_100011660926_100000691472 [0,2,0,0,0,0|0,0,2]=4 2633 B23R2.3717 CCCOc1ccc(cc1)CNCC(C)(O)c2ccccc2 270004a_100011660926_100000169838 [0,2,0,0,0,0|0,0,2]=4 2634 B23R2.29478 CC(C)Oc1ccc(cc1)CNCC(C)(O)c2ccccc2 207a_100011660926_100000169837 [0,2,0,0,0,0|0,0,2]=4 2635 B23R2.29478 CC(C)Oc1ccc(cc1)CNCC(C)(O)c2ccccc2 26a_100011660926_100000757185 [0,2,0,0,0,0|0,0,2]=4 2636 B23R2.29478 CC(C)Oc1ccc(cc1)CNCC(C)(O)c2ccccc2 270004a_100011660926_100000169837 [0,2,0,0,0,0|0,0,2]=4 2637 B23R2.168435 CCOc1ccc(cc1Br)CNCC(C)(O)c2ccccc2 207a_100011660926_100000173028 [0,2,0,0,0,0|0,0,2]=4 2638 B23R2.168435 CCOc1ccc(cc1Br)CNCC(C)(O)c2ccccc2 270004a_100011660926_100000173028 [0,2,0,0,0,0|0,0,2]=4 2639 B23R2.168435 CCOc1ccc(cc1C)CNCC(C)(O)c2ccccc2 207a_100011660926_100012017204 [0,2,0,0,0,0|0,0,2]=4 2640 B23R2.168435 CCOc1ccc(cc1C)CNCC(C)(O)c2ccccc2 270004a_100011660926_100012017204 [0,2,0,0,0,0|0,0,2]=4 2641 B23R2.168435 CCOc1ccc(cc1Cl)CNCC(C)(O)c2ccccc2 207a_100011660926_200000188301 [0,2,0,0,0,0|0,0,2]=4 2642 B23R2.168435 CCOc1ccc(cc1Cl)CNCC(C)(O)c2ccccc2 270004a_100011660926_200000188301 [0,2,0,0,0,0|0,0,2]=4 2643 B23R2.168435 CCOc1ccc(cc1I)CNCC(C)(O)c2ccccc2 207a_100011660926_200000123116 [0,2,0,0,0,0|0,0,2]=4 2644 B23R2.168435 CCOc1ccc(cc1I)CNCC(C)(O)c2ccccc2 269862a_100011660926_200000123116 [0,2,0,0,0,0|0,0,2]=4 2645 B23R2.168435 CCOc1ccc(cc1I)CNCC(C)(O)c2ccccc2 270004a_100011660926_200000123116 [0,2,0,0,0,0|0,0,2]=4 2646 B23R2.168529 CCCc1ccc(cc1)C(=O)NCC(C)(O)c2ccccc2 527a_100011660926_100011207308 [0,2,0,0,0,0|1,0,1]=4 2647 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(C)(C)c2ccccc2 11a_100011211644_100000181891 [0,2,0,0,0,0|1,0,1]=4 2648 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(C)(C)c2ccccc2 1626a_100011211644_100000181891 [0,2,0,0,0,0|1,0,1]=4 2649 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(C)(C)c2ccccc2 240690a_100011211644_100000181891 [0,2,0,0,0,0|1,0,1]=4 2650 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(C)(C)c2ccccc2 527a_100011211644_100000181891 [0,2,0,0,0,0|1,0,1]=4 2651 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(C)(O)c2ccccc2 527a_100011660926_100000181891 [0,2,0,0,0,0|0,0,1]=3 2652 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(F)(F)c2ccccc2 11a_100000717977_100000181891 [0,2,0,0,0,0|1,0,1]=4 2653 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(F)(F)c2ccccc2 1626a_100000717977_100000181891 [0,2,0,0,0,0|1,0,1]=4 2654 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(F)(F)c2ccccc2 240690a_100000717977_100000181891 [0,2,0,0,0,0|1,0,1]=4 2655 B23R2.168529 CCOc1ccc(cc1)C(=O)NCC(F)(F)c2ccccc2 527a_100000717977_100000181891 [0,2,0,0,0,0|1,0,1]=4 2656 B23R2.168529 CCOc1ccc(cc1)C(C)NCC(C)(O)c2ccccc2 269862a_100011660926_100000169860 [0,2,0,0,0,0|0,0,2]=4 2657 B23R2.168529 CCSc1ccc(cc1)C(=O)NCC(C)(O)c2ccccc2 527a_100011660926_100000244969 [0,2,0,0,0,0|0,1,1]=4 2658 B23R2.170224 CCOc1ccc(cc1)CN(C)CC(C)(O)c2ccccc2 270004a_100011660921_100000169836 [0,2,0,0,0,0|0,0,2]=4 2659 B23R2.525950 CCOc1ccc(c(c1)Br)CNCC(C)(O)c2ccccc2 207a_100011660926_200012721597 [0,2,0,0,0,0|0,0,2]=4 2660 B23R2.525950 CCOc1ccc(c(c1)Br)CNCC(C)(O)c2ccccc2 270004a_100011660926_200012721597 [0,2,0,0,0,0|0,0,2]=4 2661 B23R2.525950 CCOc1ccc(c(c1)C)CNCC(C)(O)c2ccccc2 207a_100011660926_100011361535 [0,2,0,0,0,0|0,0,2]=4 2662 B23R2.525950 CCOc1ccc(c(c1)C)CNCC(C)(O)c2ccccc2 270004a_100011660926_100011361535 [0,2,0,0,0,0|0,0,2]=4 2663 B23R2.525950 CCOc1ccc(c(c1)F)CNCC(C)(O)c2ccccc2 2230a_100011660926_200016184943 [0,2,0,0,0,0|0,0,2]=4 2664 B23R2.3719 CCCOc1ccc(cc1)COCC(OC)c2ccccc2 34a_100011215540_100000691472 [0,2,0,0,0,0|1,0,1]=4 2665 B23R2.3719 CCCOc1ccc(cc1)COCC(OC)c2ccccc2 7a_100011215540_100000691472 [0,2,0,0,0,0|1,0,1]=4 2666 B23R2.40249 CCOc1ccc(cc1)NC(=O)CC(CO)c2ccccc2 1626a_100000739623_106726389045 [0,2,0,0,0,0|2,0,0]=4 2667 B23R2.40249 CCOc1ccc(cc1)NC(=O)CC(CO)c2ccccc2 22a_100000739623_106726389045 [0,2,0,0,0,0|2,0,0]=4 2668 B23R2.41815 CCOc1ccc(cc1)C(=O)CN[C@H](CO)c2ccccc2 2230a_100000751927_100000203716 [0,2,0,0,0,0|2,0,0]=4 2669 B23R2.524768 CCOc1ccc(c(c1)F)COCC(OC)c2ccccc2 34a_100011215540_200016184943 [0,2,0,0,0,0|1,0,1]=4 2670 B23R2.524768 CCOc1ccc(c(c1)F)COCC(OC)c2ccccc2 7a_100011215540_200016184943 [0,2,0,0,0,0|1,0,1]=4 2671 B23R2.2381 CCCc1ccc(cc1)C(=O)NCC(O)c2cccc(c2)O 240690a_100020657549_100011207308 [0,2,0,0,0,0|1,0,1]=4 2672 B23R2.2381 CCCc1ccc(cc1)C(=O)NCC(O)c2cccc(c2)O 527a_100020657549_100011207308 [0,2,0,0,0,0|1,0,1]=4 2673 B23R2.2381 CCOc1ccc(cc1)C(=O)NCC(O)c2cccc(c2)O 240690a_100020657549_100000181891 [0,2,0,0,0,0|0,0,1]=3 2674 B23R2.2381 CCOc1ccc(cc1)C(=O)NCC(O)c2cccc(c2)O 527a_100020657549_100000181891 [0,2,0,0,0,0|0,0,1]=3 2675 B23R2.2381 CCOc1ccc(cc1)C(C)NCC(O)c2cccc(c2)O 269862a_100020657549_100000169860 [0,2,0,0,0,0|0,0,2]=4 2676 B23R2.2381 CCSc1ccc(cc1)C(=O)NCC(O)c2cccc(c2)O 240690a_100020657549_100000244969 [0,2,0,0,0,0|0,1,1]=4 2677 B23R2.2381 CCSc1ccc(cc1)C(=O)NCC(O)c2cccc(c2)O 527a_100020657549_100000244969 [0,2,0,0,0,0|0,1,1]=4 2678 B23R2.3733 CCCOc1ccc(cc1)CNCC(O)c2cccc(c2)O 2230a_100020657549_100000691472 [0,2,0,0,0,0|0,0,2]=4 2679 B23R2.3733 CCCOc1ccc(cc1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100000169838 [0,2,0,0,0,0|0,0,2]=4 2680 B23R2.3733 CCCOc1ccc(cc1)CNCC(O)c2cccc(c2)O 34a_100020657549_100000691472 [0,2,0,0,0,0|0,0,2]=4 2681 B23R2.3733 OCCOc1ccc(cc1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100011219967 [0,2,0,0,0,0|0,0,2]=4 2682 B23R2.40797 CCOc1ccc(cc1)CNC[C@@H](O)c2ccc(c(c2)F)F 2230a_100000185588_100000761251 [0,2,0,0,0,0|0,0,2]=4 2683 B23R2.40797 CCOc1ccc(cc1)CNC[C@@H](O)c2ccc(c(c2)F)F 34a_100000185588_100000761251 [0,2,0,0,0,0|0,0,2]=4 2684 B23R2.40797 CCOc1ccc(cc1)COC[C@@H](O)c2ccc(c(c2)F)F 34a_100000173027_100000761251 [0,2,0,0,0,0|1,0,1]=4 2685 B23R2.40797 CCOc1ccc(cc1)COC[C@@H](O)c2ccc(c(c2)F)F 7a_100000173027_100000761251 [0,2,0,0,0,0|1,0,1]=4 2686 B23R2.168451 CCOc1ccc(cc1Br)CNCC(O)c2cccc(c2)O 270004a_100020657549_100000173028 [0,2,0,0,0,0|0,0,2]=4 2687 B23R2.168451 CCOc1ccc(cc1C)CNCC(O)c2cccc(c2)O 270004a_100020657549_100012017204 [0,2,0,0,0,0|0,0,2]=4 2688 B23R2.168451 CCOc1ccc(cc1Cl)CNCC(O)c2cccc(c2)O 270004a_100020657549_200000188301 [0,2,0,0,0,0|0,0,2]=4 2689 B23R2.168451 CCOc1ccc(cc1I)CNCC(O)c2cccc(c2)O 269862a_100020657549_200000123116 [0,2,0,0,0,0|0,0,2]=4 2690 B23R2.168451 CCOc1ccc(cc1I)CNCC(O)c2cccc(c2)O 270004a_100020657549_200000123116 [0,2,0,0,0,0|0,0,2]=4 2691 B23R2.169862 CCOc1ccc(cc1)CN(C)CC(O)c2cccc(c2)Br 270004a_200000733937_100000169836 [0,2,0,0,0,0|0,0,2]=4 2692 B23R2.169862 CCOc1ccc(cc1)CN(C)C[C@H](O)c2cccc(c2)O 270004a_100009815823_100000169836 [0,2,0,0,0,0|0,0,2]=4 2693 B23R2.169862 CCOc1ccc(cc1)NC(=O)C[C@H](O)c2cccc(c2)Cl 22a_100000739623_100010423400 [0,2,0,0,0,0|2,0,0]=4 2694 B23R2.175024 CC(C)Oc1ccc(cc1)CNCC(O)c2cccc(c2)O 270004a_100020657549_100000169837 [0,2,0,0,0,0|0,0,2]=4 2695 B23R2.524783 CCOc1ccc(c(c1)Br)CNCC(O)c2cccc(c2)O 270004a_100020657549_200012721597 [0,2,0,0,0,0|0,0,2]=4 2696 B23R2.524783 CCOc1ccc(c(c1)C)CNCC(O)c2cccc(c2)O 270004a_100020657549_100011361535 [0,2,0,0,0,0|0,0,2]=4 2697 B23R2.524783 CCOc1ccc(c(c1)F)CNCC(O)c2cccc(c2)O 2230a_100020657549_200016184943 [0,2,0,0,0,0|0,0,2]=4 2698 B23R2.524783 CCOc1ccc(c(c1)F)CNCC(O)c2cccc(c2)O 34a_100020657549_200016184943 [0,2,0,0,0,0|0,0,2]=4 2699 B23R2.3735 C=CCOc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000216320_100000729684 [0,2,0,0,0,0|1,0,1]=4 2700 B23R2.3735 C=CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000216320 [0,2,0,0,0,0|0,0,2]=4 2701 B23R2.3735 C=CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000216320 [0,2,0,0,0,0|0,0,2]=4 2702 B23R2.3735 CC(CNC(=O)c1ccc(cc1)OCCO)c2ccccc2 1626a_100000701038_100000217286 [0,2,0,0,0,0|1,0,1]=4 2703 B23R2.3735 CC(CNC(=O)c1ccc(cc1)OCCO)c2ccccc2 240690a_100000701038_100000217286 [0,2,0,0,0,0|1,0,1]=4 2704 B23R2.3735 CCCCc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000186158_100000729684 [0,2,0,0,0,0|2,0,0]=4 2705 B23R2.3735 CCCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000186158 [0,2,0,0,0,0|1,0,1]=4 2706 B23R2.3735 CCCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000186158 [0,2,0,0,0,0|1,0,1]=4 2707 B23R2.3735 CCCOc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000182924_100000729684 [0,2,0,0,0,0|1,0,0]=3 2708 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000182924 [0,2,0,0,0,0|1,0,1]=4 2709 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000182924 [0,2,0,0,0,0|1,0,1]=4 2710 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000182924 [0,2,0,0,0,0|1,0,1]=4 2711 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000182924 [0,2,0,0,0,0|1,0,1]=4 2712 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000182924 [0,2,0,0,0,0|0,0,1]=3 2713 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000182924 [0,2,0,0,0,0|0,0,1]=3 2714 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000182924 [0,2,0,0,0,0|1,0,1]=4 2715 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000182924 [0,2,0,0,0,0|1,0,1]=4 2716 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000182924 [0,2,0,0,0,0|1,0,1]=4 2717 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000182924 [0,2,0,0,0,0|1,0,1]=4 2718 B23R2.3735 CCCOc1ccc(cc1)C(C)NCC(O)c2ccccc2 269862a_100000210709_100000169862 [0,2,0,0,0,0|0,0,2]=4 2719 B23R2.3735 CCCOc1ccc(cc1)C(C)NCC(O)c2ccccc2 34a_100000737538_100000185958 [0,2,0,0,0,0|0,0,2]=4 2720 B23R2.3735 CCCOc1ccc(cc1)C(C)NC[C@@H](O)c2ccccc2 34a_100000737538_100011933945 [0,2,0,0,0,0|0,0,2]=4 2721 B23R2.3735 CCSCc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000193729_100000729684 [0,2,0,0,0,0|1,1,0]=4 2722 B23R2.3735 CCSCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000193729 [0,2,0,0,0,0|0,1,1]=4 2723 B23R2.3735 CCSCc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000193729 [0,2,0,0,0,0|0,1,1]=4 2724 B23R2.3735 COCOc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000230389_100000729684 [0,2,0,0,0,0|1,0,0]=3 2725 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000230389 [0,2,0,0,0,0|1,0,1]=4 2726 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000230389 [0,2,0,0,0,0|1,0,1]=4 2727 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000230389 [0,2,0,0,0,0|1,0,1]=4 2728 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000230389 [0,2,0,0,0,0|1,0,1]=4 2729 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000230389 [0,2,0,0,0,0|0,0,1]=3 2730 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000230389 [0,2,0,0,0,0|0,0,1]=3 2731 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000230389 [0,2,0,0,0,0|1,0,1]=4 2732 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000230389 [0,2,0,0,0,0|1,0,1]=4 2733 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000230389 [0,2,0,0,0,0|1,0,1]=4 2734 B23R2.3735 COCOc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000230389 [0,2,0,0,0,0|1,0,1]=4 2735 B23R2.3735 O=C(CC[C@@H](O)c1ccccc1)c2ccc(cc2)OCCO 1458a_100000217286_100000729684 [0,2,0,0,0,0|1,0,0]=3 2736 B23R2.3735 O=C(CC[C@@H](O)c1ccccc1)c2ccc(cc2)SCCO 1458a_200000182347_100000729684 [0,2,0,0,0,0|1,1,0]=4 2737 B23R2.3735 O=C(NCC(O)c1ccccc1)c2ccc(cc2)OCCO 240690a_100000210709_100000217286 [0,2,0,0,0,0|0,0,1]=3 2738 B23R2.3735 O=C(NCC(O)c1ccccc1)c2ccc(cc2)SCCO 240690a_100000210709_200000182347 [0,2,0,0,0,0|0,1,1]=4 2739 B23R2.3735 O=C(NCC(O)c1ccccn1)c2ccc(cc2)OCCO 240690a_100000691469_100000217286 [0,2,0,0,0,0|1,0,1]=4 2740 B23R2.3735 O=C(NCC(O)c1cccnc1)c2ccc(cc2)OCCO 240690a_100020605170_100000217286 [0,2,0,0,0,0|1,0,1]=4 2741 B23R2.29483 CC(=O)Oc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000188978 [0,2,0,0,0,0|0,0,2]=4 2742 B23R2.29483 CC(C)Cc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000185289_100000729684 [0,2,0,0,0,0|2,0,0]=4 2743 B23R2.29483 CC(C)Cc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000185289 [0,2,0,0,0,0|1,0,1]=4 2744 B23R2.29483 CC(C)Cc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000185289 [0,2,0,0,0,0|1,0,1]=4 2745 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000182917_100000729684 [0,2,0,0,0,0|1,0,0]=3 2746 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000182917 [0,2,0,0,0,0|1,0,1]=4 2747 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000182917 [0,2,0,0,0,0|1,0,1]=4 2748 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000182917 [0,2,0,0,0,0|1,0,1]=4 2749 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000182917 [0,2,0,0,0,0|1,0,1]=4 2750 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000182917 [0,2,0,0,0,0|0,0,1]=3 2751 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000182917 [0,2,0,0,0,0|0,0,1]=3 2752 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000182917 [0,2,0,0,0,0|1,0,1]=4 2753 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000182917 [0,2,0,0,0,0|1,0,1]=4 2754 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000182917 [0,2,0,0,0,0|1,0,1]=4 2755 B23R2.29483 CC(C)Oc1ccc(cc1)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000182917 [0,2,0,0,0,0|1,0,1]=4 2756 B23R2.29483 CC(C)Oc1ccc(cc1)C(C)NCC(O)c2ccccc2 269862a_100000210709_100000169861 [0,2,0,0,0,0|0,0,2]=4 2757 B23R2.29483 CC(C)Oc1ccc(cc1)[C@H](C)NCC(O)c2ccccc2 2230a_100161155966_100000185958 [0,2,0,0,0,0|0,0,2]=4 2758 B23R2.29483 CC(C)Oc1ccc(cc1)[C@H](C)NCC(O)c2ccccc2 34a_100161155966_100000185958 [0,2,0,0,0,0|0,0,2]=4 2759 B23R2.29483 CC(C)Oc1ccc(cc1)[C@H](C)NC[C@@H](O)c2ccccc2 2230a_100161155966_100011933945 [0,2,0,0,0,0|0,0,2]=4 2760 B23R2.29483 CC(C)Oc1ccc(cc1)[C@H](C)NC[C@@H](O)c2ccccc2 34a_100161155966_100011933945 [0,2,0,0,0,0|0,0,2]=4 2761 B23R2.29483 CC(C)Sc1ccc(cc1)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000244970_100000729684 [0,2,0,0,0,0|1,1,0]=4 2762 B23R2.29483 CC(C)Sc1ccc(cc1)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000244970 [0,2,0,0,0,0|0,1,1]=4 2763 B23R2.29483 CC(C)Sc1ccc(cc1)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000244970 [0,2,0,0,0,0|0,1,1]=4 2764 B23R2.29483 O=C(CC[C@@H](O)c1ccccc1)c2ccc(cc2)OC(F)F 1458a_100000183673_100000729684 [0,2,0,0,0,0|2,0,0]=4 2765 B23R2.29483 O=C(NCC(O)c1ccccc1)c2ccc(cc2)OC(F)F 240690a_100000210709_100000183673 [0,2,0,0,0,0|1,0,1]=4 2766 B23R2.29483 O=C(NCC(O)c1ccccc1)c2ccc(cc2)OC(F)F 527a_100000210709_100000183673 [0,2,0,0,0,0|1,0,1]=4 2767 B23R2.40815 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2Br 240690a_100011236429_100011207308 [0,2,0,0,0,0|1,0,1]=4 2768 B23R2.40815 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2Br 527a_100011236429_100011207308 [0,2,0,0,0,0|1,0,1]=4 2769 B23R2.40815 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2Cl 240690a_200000759403_100011207308 [0,2,0,0,0,0|1,0,1]=4 2770 B23R2.40815 CCCc1ccc(cc1)C(=O)NCC(O)c2ccccc2Cl 527a_200000759403_100011207308 [0,2,0,0,0,0|1,0,1]=4 2771 B23R2.40815 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2Br 240690a_100011236429_100000181891 [0,2,0,0,0,0|0,0,1]=3 2772 B23R2.40815 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2Br 527a_100011236429_100000181891 [0,2,0,0,0,0|0,0,1]=3 2773 B23R2.40815 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2Cl 240690a_200000759403_100000181891 [0,2,0,0,0,0|0,0,1]=3 2774 B23R2.40815 CCOc1ccc(cc1)C(=O)NCC(O)c2ccccc2Cl 527a_200000759403_100000181891 [0,2,0,0,0,0|0,0,1]=3 2775 B23R2.40815 CCOc1ccc(cc1)C(C)NCC(O)c2ccccc2Br 269862a_100011236429_100000169860 [0,2,0,0,0,0|0,0,2]=4 2776 B23R2.40815 CCOc1ccc(cc1)C(C)NCC(O)c2ccccc2Cl 269862a_200000759403_100000169860 [0,2,0,0,0,0|0,0,2]=4 2777 B23R2.40815 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccc2Br 240690a_100011236429_100000244969 [0,2,0,0,0,0|0,1,1]=4 2778 B23R2.40815 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccc2Br 527a_100011236429_100000244969 [0,2,0,0,0,0|0,1,1]=4 2779 B23R2.40815 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccc2Cl 240690a_200000759403_100000244969 [0,2,0,0,0,0|0,1,1]=4 2780 B23R2.40815 CCSc1ccc(cc1)C(=O)NCC(O)c2ccccc2Cl 527a_200000759403_100000244969 [0,2,0,0,0,0|0,1,1]=4 2781 B23R2.41062 CCOc1ccc(cc1)C(CC)NCC(O)c2ccccc2 2230a_200015187827_100000185958 [0,2,0,0,0,0|0,0,2]=4 2782 B23R2.41062 CCOc1ccc(cc1)C(CC)NCC(O)c2ccccc2 269862a_100000210709_200000170456 [0,2,0,0,0,0|0,0,2]=4 2783 B23R2.41062 CCOc1ccc(cc1)C(CC)NCC(O)c2ccccc2 34a_200015187827_100000185958 [0,2,0,0,0,0|0,0,2]=4 2784 B23R2.41062 CCOc1ccc(cc1)C(CC)NC[C@@H](O)c2ccccc2 2230a_200015187827_100011933945 [0,2,0,0,0,0|0,0,2]=4 2785 B23R2.41062 CCOc1ccc(cc1)C(CC)NC[C@@H](O)c2ccccc2 34a_200015187827_100011933945 [0,2,0,0,0,0|0,0,2]=4 2786 B23R2.41208 CCOc1ccc(cc1)C(C)(C)NCC(O)c2ccccc2 2230a_100015184707_100000185958 [0,2,0,0,0,0|0,0,2]=4 2787 B23R2.41208 CCOc1ccc(cc1)C(C)(C)NC[C@@H](O)c2ccccc2 2230a_100015184707_100011933945 [0,2,0,0,0,0|0,0,2]=4 2788 B23R2.41208 CCOc1ccc(cc1)S(=O)(=O)NCC(O)c2ccccc2 270084a_100000210709_100000182814 [0,2,0,0,0,0|1,0,1]=4 2789 B23R2.41208 CCOc1ccc(cc1)S(=O)(=O)NCC(O)c2ccccc2 274078a_100000210709_100000182814 [0,2,0,0,0,0|1,0,1]=4 2790 B23R2.41208 CCOc1ccc(cc1)S(=O)(=O)NCC(O)c2ccccc2 40a_100000210709_100010301650 [0,2,0,0,0,0|1,0,1]=4 2791 B23R2.167966 CCCc1ccc(cc1)C(=O)N(C)CC(O)c2ccccc2 240690a_100000227976_100011207308 [0,2,0,0,0,0|1,0,1]=4 2792 B23R2.167966 CCCc1ccc(cc1)C(=O)N(C)CC(O)c2ccccc2 527a_100000227976_100011207308 [0,2,0,0,0,0|1,0,1]=4 2793 B23R2.167966 CCOc1ccc(cc1)C(=O)N(C)CC(O)c2ccccc2 240690a_100000227976_100000181891 [0,2,0,0,0,0|0,0,1]=3 2794 B23R2.167966 CCOc1ccc(cc1)C(=O)N(C)CC(O)c2ccccc2 527a_100000227976_100000181891 [0,2,0,0,0,0|0,0,1]=3 2795 B23R2.167966 CCOc1ccc(cc1)C(C)N(C)CC(O)c2ccccc2 2230a_100015187113_100000185958 [0,2,0,0,0,0|0,0,2]=4 2796 B23R2.167966 CCOc1ccc(cc1)C(C)N(C)C[C@@H](O)c2ccccc2 2230a_100015187113_100011933945 [0,2,0,0,0,0|0,0,2]=4 2797 B23R2.167966 CCOc1ccc(cc1)N(C)C(=O)CC(O)c2ccccc2 22a_100025784348_100000690199 [0,2,0,0,0,0|2,0,0]=4 2798 B23R2.167966 CCSc1ccc(cc1)C(=O)N(C)CC(O)c2ccccc2 240690a_100000227976_100000244969 [0,2,0,0,0,0|0,1,1]=4 2799 B23R2.167966 CCSc1ccc(cc1)C(=O)N(C)CC(O)c2ccccc2 527a_100000227976_100000244969 [0,2,0,0,0,0|0,1,1]=4 2800 B23R2.167970 CCOc1ccc(cc1)C(=O)CC(=O)[C@H](O)c2ccccc2 1458a_100000684486_100000203716 [0,2,0,0,0,0|1,0,1]=4 2801 B23R2.168453 CCCc1ccc(cc1Br)C(=O)CC[C@@H](O)c2ccccc2 1458a_200010235943_100000729684 [0,2,0,0,0,0|2,0,0]=4 2802 B23R2.168453 CCCc1ccc(cc1Br)C(=O)NCC(O)c2ccccc2 240690a_100000210709_200010235943 [0,2,0,0,0,0|1,0,1]=4 2803 B23R2.168453 CCCc1ccc(cc1Br)C(=O)NCC(O)c2ccccc2 527a_100000210709_200010235943 [0,2,0,0,0,0|1,0,1]=4 2804 B23R2.168453 CCOc1ccc(cc1Br)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000230806_100000729684 [0,2,0,0,0,0|1,0,0]=3 2805 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000230806 [0,2,0,0,0,0|1,0,1]=4 2806 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000230806 [0,2,0,0,0,0|1,0,1]=4 2807 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000230806 [0,2,0,0,0,0|1,0,1]=4 2808 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000230806 [0,2,0,0,0,0|1,0,1]=4 2809 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000230806 [0,2,0,0,0,0|0,0,1]=3 2810 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000230806 [0,2,0,0,0,0|0,0,1]=3 2811 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000230806 [0,2,0,0,0,0|1,0,1]=4 2812 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000230806 [0,2,0,0,0,0|1,0,1]=4 2813 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000230806 [0,2,0,0,0,0|1,0,1]=4 2814 B23R2.168453 CCOc1ccc(cc1Br)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000230806 [0,2,0,0,0,0|1,0,1]=4 2815 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)CC[C@@H](O)c2ccccc2 1458a_100000230665_100000729684 [0,2,0,0,0,0|1,0,0]=3 2816 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(C)c2ccccc2 11a_100000701038_100000230665 [0,2,0,0,0,0|1,0,1]=4 2817 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100000230665 [0,2,0,0,0,0|1,0,1]=4 2818 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100000230665 [0,2,0,0,0,0|1,0,1]=4 2819 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(C)c2ccccc2 527a_100000701038_100000230665 [0,2,0,0,0,0|1,0,1]=4 2820 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100000230665 [0,2,0,0,0,0|0,0,1]=3 2821 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(O)c2ccccc2 527a_100000210709_100000230665 [0,2,0,0,0,0|0,0,1]=3 2822 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100000230665 [0,2,0,0,0,0|1,0,1]=4 2823 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(O)c2ccccn2 527a_100000691469_100000230665 [0,2,0,0,0,0|1,0,1]=4 2824 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100000230665 [0,2,0,0,0,0|1,0,1]=4 2825 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(O)c2cccnc2 527a_100020605170_100000230665 [0,2,0,0,0,0|1,0,1]=4 2826 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Br 240690a_100020626992_100011207308 [0,2,0,0,0,0|1,0,1]=4 2827 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Br 527a_100020626992_100011207308 [0,2,0,0,0,0|1,0,1]=4 2828 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)C 240690a_200020610344_100011207308 [0,2,0,0,0,0|1,0,1]=4 2829 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)C 527a_200020610344_100011207308 [0,2,0,0,0,0|1,0,1]=4 2830 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 11a_100000736658_100011207308 [0,2,0,0,0,0|1,0,1]=4 2831 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 240690a_100000736658_100011207308 [0,2,0,0,0,0|1,0,1]=4 2832 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 527a_100000736658_100011207308 [0,2,0,0,0,0|1,0,1]=4 2833 B23R2.168547 CCCc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)O 240690a_100000067596_100011207308 [0,2,0,0,0,0|1,0,1]=4 2834 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(C)c2ccc(cc2)O 240690a_200015188644_100000181891 [0,2,0,0,0,0|1,0,1]=4 2835 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(C)c2ccc(cc2)O 527a_200015188644_100000181891 [0,2,0,0,0,0|1,0,1]=4 2836 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Br 240690a_100020626992_100000181891 [0,2,0,0,0,0|0,0,1]=3 2837 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Br 527a_100020626992_100000181891 [0,2,0,0,0,0|0,0,1]=3 2838 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)C 240690a_200020610344_100000181891 [0,2,0,0,0,0|0,0,1]=3 2839 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)C 527a_200020610344_100000181891 [0,2,0,0,0,0|0,0,1]=3 2840 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 11a_100000736658_100000181891 [0,2,0,0,0,0|0,0,1]=3 2841 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 240690a_100000736658_100000181891 [0,2,0,0,0,0|0,0,1]=3 2842 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 527a_100000736658_100000181891 [0,2,0,0,0,0|0,0,1]=3 2843 B23R2.168547 CCOc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)O 240690a_100000067596_100000181891 [0,2,0,0,0,0|0,0,1]=3 2844 B23R2.168547 CCOc1ccc(cc1)C(C)NCC(O)c2ccc(cc2)Br 269862a_100020626992_100000169860 [0,2,0,0,0,0|0,0,2]=4 2845 B23R2.168547 CCOc1ccc(cc1)C(C)NCC(O)c2ccc(cc2)C 269862a_200020610344_100000169860 [0,2,0,0,0,0|0,0,2]=4 2846 B23R2.168547 CCOc1ccc(cc1)C(C)NCC(O)c2ccc(cc2)Cl 2230a_100000740525_200011996143 [0,2,0,0,0,0|0,0,2]=4 2847 B23R2.168547 CCOc1ccc(cc1)C(C)NCC(O)c2ccc(cc2)Cl 269862a_100000736658_100000169860 [0,2,0,0,0,0|0,0,2]=4 2848 B23R2.168547 CCOc1ccc(cc1)C(C)NC[C@H](O)c2ccc(cc2)F 2230a_100000740525_100000720402 [0,2,0,0,0,0|0,0,2]=4 2849 B23R2.168547 CCOc1ccc(cc1)[C@@H](C)OCC(O)c2ccc(cc2)Cl 34a_100000761365_200011996143 [0,2,0,0,0,0|1,0,1]=4 2850 B23R2.168547 CCOc1ccc(cc1)[C@@H](C)OCC(O)c2ccc(cc2)Cl 7a_100000761365_200011996143 [0,2,0,0,0,0|1,0,1]=4 2851 B23R2.168547 CCOc1ccc(cc1)[C@@H](C)OC[C@H](O)c2ccc(cc2)F 34a_100000761365_100000720402 [0,2,0,0,0,0|1,0,1]=4 2852 B23R2.168547 CCOc1ccc(cc1)[C@@H](C)OC[C@H](O)c2ccc(cc2)F 7a_100000761365_100000720402 [0,2,0,0,0,0|1,0,1]=4 2853 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Br 240690a_100020626992_100000244969 [0,2,0,0,0,0|0,1,1]=4 2854 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Br 527a_100020626992_100000244969 [0,2,0,0,0,0|0,1,1]=4 2855 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)C 240690a_200020610344_100000244969 [0,2,0,0,0,0|0,1,1]=4 2856 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)C 527a_200020610344_100000244969 [0,2,0,0,0,0|0,1,1]=4 2857 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 11a_100000736658_100000244969 [0,2,0,0,0,0|0,1,1]=4 2858 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 240690a_100000736658_100000244969 [0,2,0,0,0,0|0,1,1]=4 2859 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)Cl 527a_100000736658_100000244969 [0,2,0,0,0,0|0,1,1]=4 2860 B23R2.168547 CCSc1ccc(cc1)C(=O)NCC(O)c2ccc(cc2)O 240690a_100000067596_100000244969 [0,2,0,0,0,0|0,1,1]=4 2861 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)CC[C@@H](O)c2ccccc2 1458a_200012183785_100000729684 [0,2,0,0,0,0|1,0,0]=3 2862 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(C)c2ccccc2 11a_100000701038_200012183785 [0,2,0,0,0,0|1,0,1]=4 2863 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(C)c2ccccc2 1626a_100000701038_200012183785 [0,2,0,0,0,0|1,0,1]=4 2864 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(C)c2ccccc2 240690a_100000701038_200012183785 [0,2,0,0,0,0|1,0,1]=4 2865 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(C)c2ccccc2 527a_100000701038_200012183785 [0,2,0,0,0,0|1,0,1]=4 2866 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(O)c2ccccc2 240690a_100000210709_200012183785 [0,2,0,0,0,0|0,0,1]=3 2867 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(O)c2ccccc2 527a_100000210709_200012183785 [0,2,0,0,0,0|0,0,1]=3 2868 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(O)c2ccccn2 240690a_100000691469_200012183785 [0,2,0,0,0,0|1,0,1]=4 2869 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(O)c2ccccn2 527a_100000691469_200012183785 [0,2,0,0,0,0|1,0,1]=4 2870 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(O)c2cccnc2 240690a_100020605170_200012183785 [0,2,0,0,0,0|1,0,1]=4 2871 B23R2.524801 CCOc1ccc(c(c1)C)C(=O)NCC(O)c2cccnc2 527a_100020605170_200012183785 [0,2,0,0,0,0|1,0,1]=4 2872 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)CC[C@@H](O)c2ccccc2 1458a_100012184274_100000729684 [0,2,0,0,0,0|1,0,0]=3 2873 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(C)c2ccccc2 11a_100000701038_100012184274 [0,2,0,0,0,0|1,0,1]=4 2874 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(C)c2ccccc2 1626a_100000701038_100012184274 [0,2,0,0,0,0|1,0,1]=4 2875 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(C)c2ccccc2 240690a_100000701038_100012184274 [0,2,0,0,0,0|1,0,1]=4 2876 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(C)c2ccccc2 527a_100000701038_100012184274 [0,2,0,0,0,0|1,0,1]=4 2877 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(O)c2ccccc2 240690a_100000210709_100012184274 [0,2,0,0,0,0|0,0,1]=3 2878 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(O)c2ccccc2 527a_100000210709_100012184274 [0,2,0,0,0,0|0,0,1]=3 2879 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(O)c2ccccn2 240690a_100000691469_100012184274 [0,2,0,0,0,0|1,0,1]=4 2880 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(O)c2ccccn2 527a_100000691469_100012184274 [0,2,0,0,0,0|1,0,1]=4 2881 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(O)c2cccnc2 240690a_100020605170_100012184274 [0,2,0,0,0,0|1,0,1]=4 2882 B23R2.524801 CCOc1ccc(c(c1)F)C(=O)NCC(O)c2cccnc2 527a_100020605170_100012184274 [0,2,0,0,0,0|1,0,1]=4 2883 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)CC[C@@H](O)c2ccccc2 1458a_200000049073_100000729684 [0,2,0,0,0,0|1,0,0]=3 2884 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(C)c2ccccc2 240690a_100000701038_200000049073 [0,2,0,0,0,0|1,0,1]=4 2885 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(C)c2ccccc2 527a_100000701038_200000049073 [0,2,0,0,0,0|1,0,1]=4 2886 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(O)c2ccccc2 240690a_100000210709_200000049073 [0,2,0,0,0,0|0,0,1]=3 2887 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(O)c2ccccc2 527a_100000210709_200000049073 [0,2,0,0,0,0|0,0,1]=3 2888 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(O)c2ccccn2 240690a_100000691469_200000049073 [0,2,0,0,0,0|1,0,1]=4 2889 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(O)c2ccccn2 527a_100000691469_200000049073 [0,2,0,0,0,0|1,0,1]=4 2890 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(O)c2cccnc2 240690a_100020605170_200000049073 [0,2,0,0,0,0|1,0,1]=4 2891 B23R2.524801 CCOc1ccc(c(c1)O)C(=O)NCC(O)c2cccnc2 527a_100020605170_200000049073 [0,2,0,0,0,0|1,0,1]=4 2892 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100000169838 [0,2,0,0,0,0|0,0,2]=4 2893 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 2230a_100020626992_100000691472 [0,2,0,0,0,0|0,0,2]=4 2894 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100000169838 [0,2,0,0,0,0|0,0,2]=4 2895 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 34a_100020626992_100000691472 [0,2,0,0,0,0|0,0,2]=4 2896 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)C 207a_200020610344_100000169838 [0,2,0,0,0,0|0,0,2]=4 2897 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)C 2230a_200020610344_100000691472 [0,2,0,0,0,0|0,0,2]=4 2898 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100000169838 [0,2,0,0,0,0|0,0,2]=4 2899 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)C 34a_200020610344_100000691472 [0,2,0,0,0,0|0,0,2]=4 2900 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100000169838 [0,2,0,0,0,0|0,0,2]=4 2901 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100000736658_100000691472 [0,2,0,0,0,0|0,0,2]=4 2902 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100000169838 [0,2,0,0,0,0|0,0,2]=4 2903 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000736658_100000691472 [0,2,0,0,0,0|0,0,2]=4 2904 B23R2.3775 CCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)O 34a_100000067596_100000691472 [0,2,0,0,0,0|0,0,2]=4 2905 B23R2.3775 CCCOc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 34a_100000173360_200011996143 [0,2,0,0,0,0|1,0,1]=4 2906 B23R2.3775 CCCOc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 7a_100000173360_200011996143 [0,2,0,0,0,0|1,0,1]=4 2907 B23R2.3775 CCCOc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 34a_100000173360_100000720402 [0,2,0,0,0,0|1,0,1]=4 2908 B23R2.3775 CCCOc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 7a_100000173360_100000720402 [0,2,0,0,0,0|1,0,1]=4 2909 B23R2.3775 CCCOc1ccc(cc1)CSCC(O)c2ccc(cc2)Cl 62a_200011996143_100000691472 [0,2,0,0,0,0|1,0,1]=4 2910 B23R2.3775 CCCOc1ccc(cc1)CSC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000691472 [0,2,0,0,0,0|1,0,1]=4 2911 B23R2.3775 CCOCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100000737407_200011996143 [0,2,0,0,0,0|0,0,2]=4 2912 B23R2.3775 CCOCc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100000737407_200011996143 [0,2,0,0,0,0|0,0,2]=4 2913 B23R2.3775 CCOCc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 2230a_100000737407_100000720402 [0,2,0,0,0,0|0,0,2]=4 2914 B23R2.3775 CCOCc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 34a_100000737407_100000720402 [0,2,0,0,0,0|0,0,2]=4 2915 B23R2.3775 Cc1ccc(cc1)C(O)CNCc2ccc(cc2)OCCO 207a_200020610344_100011219967 [0,2,0,0,0,0|0,0,2]=4 2916 B23R2.3775 Cc1ccc(cc1)C(O)CNCc2ccc(cc2)OCCO 270004a_200020610344_100011219967 [0,2,0,0,0,0|0,0,2]=4 2917 B23R2.3775 OCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100011219967 [0,2,0,0,0,0|0,0,2]=4 2918 B23R2.3775 OCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100011219967 [0,2,0,0,0,0|0,0,2]=4 2919 B23R2.3775 OCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100011219967 [0,2,0,0,0,0|0,0,2]=4 2920 B23R2.3775 OCCOc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100011219967 [0,2,0,0,0,0|0,0,2]=4 2921 B23R2.40782 CCOc1ccc(cc1)CNC[C@@H](O)c2ccc(cc2F)F 2230a_100000185588_100000761269 [0,2,0,0,0,0|0,0,2]=4 2922 B23R2.40782 CCOc1ccc(cc1)CNC[C@@H](O)c2ccc(cc2F)F 34a_100000185588_100000761269 [0,2,0,0,0,0|0,0,2]=4 2923 B23R2.40782 CCOc1ccc(cc1)CNC[C@H](O)c2ccc(cc2Cl)Cl 2230a_100000185588_100000761231 [0,2,0,0,0,0|0,0,2]=4 2924 B23R2.40782 CCOc1ccc(cc1)CNC[C@H](O)c2ccc(cc2Cl)Cl 34a_100000185588_100000761231 [0,2,0,0,0,0|0,0,2]=4 2925 B23R2.40782 CCOc1ccc(cc1)COC[C@@H](O)c2ccc(cc2F)F 34a_100000173027_100000761269 [0,2,0,0,0,0|1,0,1]=4 2926 B23R2.40782 CCOc1ccc(cc1)COC[C@@H](O)c2ccc(cc2F)F 7a_100000173027_100000761269 [0,2,0,0,0,0|1,0,1]=4 2927 B23R2.40782 CCOc1ccc(cc1)COC[C@H](O)c2ccc(cc2Cl)Cl 34a_100000173027_100000761231 [0,2,0,0,0,0|1,0,1]=4 2928 B23R2.40782 CCOc1ccc(cc1)COC[C@H](O)c2ccc(cc2Cl)Cl 7a_100000173027_100000761231 [0,2,0,0,0,0|1,0,1]=4 2929 B23R2.40784 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)OC 207a_100000738651_100000169836 [0,2,0,0,0,0|0,0,2]=4 2930 B23R2.40784 CCOc1ccc(cc1)CNCC(O)c2ccc(cc2)OC 270004a_100000738651_100000169836 [0,2,0,0,0,0|0,0,2]=4 2931 B23R2.168493 CCOc1ccc(cc1Br)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100000173028 [0,2,0,0,0,0|0,0,2]=4 2932 B23R2.168493 CCOc1ccc(cc1Br)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100000173028 [0,2,0,0,0,0|0,0,2]=4 2933 B23R2.168493 CCOc1ccc(cc1Br)CNCC(O)c2ccc(cc2)C 207a_200020610344_100000173028 [0,2,0,0,0,0|0,0,2]=4 2934 B23R2.168493 CCOc1ccc(cc1Br)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100000173028 [0,2,0,0,0,0|0,0,2]=4 2935 B23R2.168493 CCOc1ccc(cc1Br)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100000173028 [0,2,0,0,0,0|0,0,2]=4 2936 B23R2.168493 CCOc1ccc(cc1Br)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100000173028 [0,2,0,0,0,0|0,0,2]=4 2937 B23R2.168493 CCOc1ccc(cc1Br)COCC(O)c2ccc(cc2)Cl 34a_200011800839_200011996143 [0,2,0,0,0,0|1,0,1]=4 2938 B23R2.168493 CCOc1ccc(cc1Br)COCC(O)c2ccc(cc2)Cl 7a_200011800839_200011996143 [0,2,0,0,0,0|1,0,1]=4 2939 B23R2.168493 CCOc1ccc(cc1Br)COC[C@H](O)c2ccc(cc2)F 34a_200011800839_100000720402 [0,2,0,0,0,0|1,0,1]=4 2940 B23R2.168493 CCOc1ccc(cc1Br)COC[C@H](O)c2ccc(cc2)F 7a_200011800839_100000720402 [0,2,0,0,0,0|1,0,1]=4 2941 B23R2.168493 CCOc1ccc(cc1C)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100012017204 [0,2,0,0,0,0|0,0,2]=4 2942 B23R2.168493 CCOc1ccc(cc1C)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100012017204 [0,2,0,0,0,0|0,0,2]=4 2943 B23R2.168493 CCOc1ccc(cc1C)CNCC(O)c2ccc(cc2)C 207a_200020610344_100012017204 [0,2,0,0,0,0|0,0,2]=4 2944 B23R2.168493 CCOc1ccc(cc1C)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100012017204 [0,2,0,0,0,0|0,0,2]=4 2945 B23R2.168493 CCOc1ccc(cc1C)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100012017204 [0,2,0,0,0,0|0,0,2]=4 2946 B23R2.168493 CCOc1ccc(cc1C)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100012017204 [0,2,0,0,0,0|0,0,2]=4 2947 B23R2.168493 CCOc1ccc(cc1Cl)CNCC(O)c2ccc(cc2)Br 207a_100020626992_200000188301 [0,2,0,0,0,0|0,0,2]=4 2948 B23R2.168493 CCOc1ccc(cc1Cl)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_200000188301 [0,2,0,0,0,0|0,0,2]=4 2949 B23R2.168493 CCOc1ccc(cc1Cl)CNCC(O)c2ccc(cc2)C 207a_200020610344_200000188301 [0,2,0,0,0,0|0,0,2]=4 2950 B23R2.168493 CCOc1ccc(cc1Cl)CNCC(O)c2ccc(cc2)C 270004a_200020610344_200000188301 [0,2,0,0,0,0|0,0,2]=4 2951 B23R2.168493 CCOc1ccc(cc1Cl)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_200000188301 [0,2,0,0,0,0|0,0,2]=4 2952 B23R2.168493 CCOc1ccc(cc1Cl)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_200000188301 [0,2,0,0,0,0|0,0,2]=4 2953 B23R2.168493 CCOc1ccc(cc1Cl)COCC(O)c2ccc(cc2)Cl 34a_200011523292_200011996143 [0,2,0,0,0,0|1,0,1]=4 2954 B23R2.168493 CCOc1ccc(cc1Cl)COCC(O)c2ccc(cc2)Cl 7a_200011523292_200011996143 [0,2,0,0,0,0|1,0,1]=4 2955 B23R2.168493 CCOc1ccc(cc1Cl)COC[C@H](O)c2ccc(cc2)F 34a_200011523292_100000720402 [0,2,0,0,0,0|1,0,1]=4 2956 B23R2.168493 CCOc1ccc(cc1Cl)COC[C@H](O)c2ccc(cc2)F 7a_200011523292_100000720402 [0,2,0,0,0,0|1,0,1]=4 2957 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)Br 207a_100020626992_200000123116 [0,2,0,0,0,0|0,0,2]=4 2958 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)Br 269862a_100020626992_200000123116 [0,2,0,0,0,0|0,0,2]=4 2959 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_200000123116 [0,2,0,0,0,0|0,0,2]=4 2960 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)C 207a_200020610344_200000123116 [0,2,0,0,0,0|0,0,2]=4 2961 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)C 269862a_200020610344_200000123116 [0,2,0,0,0,0|0,0,2]=4 2962 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)C 270004a_200020610344_200000123116 [0,2,0,0,0,0|0,0,2]=4 2963 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_200000123116 [0,2,0,0,0,0|0,0,2]=4 2964 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)Cl 269862a_100000736658_200000123116 [0,2,0,0,0,0|0,0,2]=4 2965 B23R2.168493 CCOc1ccc(cc1I)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_200000123116 [0,2,0,0,0,0|0,0,2]=4 2966 B23R2.168868 CCOc1ccc(cc1)CN[C@H](C)[C@@H](O)c2ccc(cc2)Cl 207a_200009830414_100000169836 [0,2,0,0,0,0|0,0,2]=4 2967 B23R2.168868 CCOc1ccc(cc1)CN[C@H](C)[C@@H](O)c2ccc(cc2)Cl 270004a_200009830414_100000169836 [0,2,0,0,0,0|0,0,2]=4 2968 B23R2.170243 CCOc1ccc(cc1)CC(=O)CC(O)c2ccc(cc2)Cl 1458a_100000183096_200011996143 [0,2,0,0,0,0|1,0,1]=4 2969 B23R2.170243 CCOc1ccc(cc1)CC(=O)C[C@H](O)c2ccc(cc2)F 1458a_100000183096_100000720402 [0,2,0,0,0,0|1,0,1]=4 2970 B23R2.170243 CCOc1ccc(cc1)CN(C)CC(O)c2ccc(cc2)Cl 2230a_100000180828_200011996143 [0,2,0,0,0,0|0,0,2]=4 2971 B23R2.170243 CCOc1ccc(cc1)CN(C)C[C@H](O)c2ccc(cc2)F 2230a_100000180828_100000720402 [0,2,0,0,0,0|0,0,2]=4 2972 B23R2.524777 CCOc1ccc(c(c1)Br)CNCC(O)c2ccc(cc2)Br 207a_100020626992_200012721597 [0,2,0,0,0,0|0,0,2]=4 2973 B23R2.524777 CCOc1ccc(c(c1)Br)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_200012721597 [0,2,0,0,0,0|0,0,2]=4 2974 B23R2.524777 CCOc1ccc(c(c1)Br)CNCC(O)c2ccc(cc2)C 207a_200020610344_200012721597 [0,2,0,0,0,0|0,0,2]=4 2975 B23R2.524777 CCOc1ccc(c(c1)Br)CNCC(O)c2ccc(cc2)C 270004a_200020610344_200012721597 [0,2,0,0,0,0|0,0,2]=4 2976 B23R2.524777 CCOc1ccc(c(c1)Br)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_200012721597 [0,2,0,0,0,0|0,0,2]=4 2977 B23R2.524777 CCOc1ccc(c(c1)Br)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_200012721597 [0,2,0,0,0,0|0,0,2]=4 2978 B23R2.524777 CCOc1ccc(c(c1)C)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100011361535 [0,2,0,0,0,0|0,0,2]=4 2979 B23R2.524777 CCOc1ccc(c(c1)C)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100011361535 [0,2,0,0,0,0|0,0,2]=4 2980 B23R2.524777 CCOc1ccc(c(c1)C)CNCC(O)c2ccc(cc2)C 207a_200020610344_100011361535 [0,2,0,0,0,0|0,0,2]=4 2981 B23R2.524777 CCOc1ccc(c(c1)C)CNCC(O)c2ccc(cc2)C 270004a_200020610344_100011361535 [0,2,0,0,0,0|0,0,2]=4 2982 B23R2.524777 CCOc1ccc(c(c1)C)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100011361535 [0,2,0,0,0,0|0,0,2]=4 2983 B23R2.524777 CCOc1ccc(c(c1)C)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100011361535 [0,2,0,0,0,0|0,0,2]=4 2984 B23R2.524777 CCOc1ccc(c(c1)F)CNCC(O)c2ccc(cc2)Br 2230a_100020626992_200016184943 [0,2,0,0,0,0|0,0,2]=4 2985 B23R2.524777 CCOc1ccc(c(c1)F)CNCC(O)c2ccc(cc2)Br 34a_100020626992_200016184943 [0,2,0,0,0,0|0,0,2]=4 2986 B23R2.524777 CCOc1ccc(c(c1)F)CNCC(O)c2ccc(cc2)C 2230a_200020610344_200016184943 [0,2,0,0,0,0|0,0,2]=4 2987 B23R2.524777 CCOc1ccc(c(c1)F)CNCC(O)c2ccc(cc2)C 34a_200020610344_200016184943 [0,2,0,0,0,0|0,0,2]=4 2988 B23R2.524777 CCOc1ccc(c(c1)F)CNCC(O)c2ccc(cc2)Cl 2230a_100000736658_200016184943 [0,2,0,0,0,0|0,0,2]=4 2989 B23R2.524777 CCOc1ccc(c(c1)F)CNCC(O)c2ccc(cc2)Cl 34a_100000736658_200016184943 [0,2,0,0,0,0|0,0,2]=4 2990 B23R2.524777 CCOc1ccc(c(c1)F)CNCC(O)c2ccc(cc2)O 34a_100000067596_200016184943 [0,2,0,0,0,0|0,0,2]=4 2991 B23R2.524777 CCOc1ccc(c(c1)F)COCC(O)c2ccc(cc2)Cl 34a_200015831911_200011996143 [0,2,0,0,0,0|1,0,1]=4 2992 B23R2.524777 CCOc1ccc(c(c1)F)COCC(O)c2ccc(cc2)Cl 7a_200015831911_200011996143 [0,2,0,0,0,0|1,0,1]=4 2993 B23R2.524777 CCOc1ccc(c(c1)F)COC[C@H](O)c2ccc(cc2)F 34a_200015831911_100000720402 [0,2,0,0,0,0|1,0,1]=4 2994 B23R2.524777 CCOc1ccc(c(c1)F)COC[C@H](O)c2ccc(cc2)F 7a_200015831911_100000720402 [0,2,0,0,0,0|1,0,1]=4 2995 B23R2.524777 CCOc1ccc(c(c1)F)CSCC(O)c2ccc(cc2)Cl 62a_200011996143_200016184943 [0,2,0,0,0,0|1,0,1]=4 2996 B23R2.524777 CCOc1ccc(c(c1)F)CSCC(O)c2ccc(cc2)Cl 62a_200016184943_200011996143 [0,2,0,0,0,0|1,0,1]=4 2997 B23R2.524777 CCOc1ccc(c(c1)F)CSC[C@H](O)c2ccc(cc2)F 62a_100000720402_200016184943 [0,2,0,0,0,0|1,0,1]=4 2998 B23R2.524777 CCOc1ccc(c(c1)F)CSC[C@H](O)c2ccc(cc2)F 62a_200016184943_100000720402 [0,2,0,0,0,0|1,0,1]=4 2999 B23R2.734168 CC(C)Oc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 207a_100020626992_100000169837 [0,2,0,0,0,0|0,0,2]=4 3000 B23R2.734168 CC(C)Oc1ccc(cc1)CNCC(O)c2ccc(cc2)Br 270004a_100020626992_100000169837 [0,2,0,0,0,0|0,0,2]=4 3001 B23R2.734168 CC(C)Oc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 207a_100000736658_100000169837 [0,2,0,0,0,0|0,0,2]=4 3002 B23R2.734168 CC(C)Oc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 2230a_100020586559_200011996143 [0,2,0,0,0,0|0,0,2]=4 3003 B23R2.734168 CC(C)Oc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 270004a_100000736658_100000169837 [0,2,0,0,0,0|0,0,2]=4 3004 B23R2.734168 CC(C)Oc1ccc(cc1)CNCC(O)c2ccc(cc2)Cl 34a_100020586559_200011996143 [0,2,0,0,0,0|0,0,2]=4 3005 B23R2.734168 CC(C)Oc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 2230a_100020586559_100000720402 [0,2,0,0,0,0|0,0,2]=4 3006 B23R2.734168 CC(C)Oc1ccc(cc1)CNC[C@H](O)c2ccc(cc2)F 34a_100020586559_100000720402 [0,2,0,0,0,0|0,0,2]=4 3007 B23R2.734168 CC(C)Oc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 34a_100000173089_200011996143 [0,2,0,0,0,0|1,0,1]=4 3008 B23R2.734168 CC(C)Oc1ccc(cc1)COCC(O)c2ccc(cc2)Cl 7a_100000173089_200011996143 [0,2,0,0,0,0|1,0,1]=4 3009 B23R2.734168 CC(C)Oc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 34a_100000173089_100000720402 [0,2,0,0,0,0|1,0,1]=4 3010 B23R2.734168 CC(C)Oc1ccc(cc1)COC[C@H](O)c2ccc(cc2)F 7a_100000173089_100000720402 [0,2,0,0,0,0|1,0,1]=4 3011 B23R2.734168 Cc1ccc(cc1)C(O)CNCc2ccc(cc2)OC(C)C 207a_200020610344_100000169837 [0,2,0,0,0,0|0,0,2]=4 3012 B23R2.734168 Cc1ccc(cc1)C(O)CNCc2ccc(cc2)OC(C)C 270004a_200020610344_100000169837 [0,2,0,0,0,0|0,0,2]=4 3013 B23R2.2760 C=CCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012049633 [0,2,0,0,0,0|2,0,0]=4 3014 B23R2.2760 C=CCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100012049633_100000729684 [0,2,0,0,0,0|2,0,0]=4 3015 B23R2.2760 CCCCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000188518 [0,2,0,0,0,0|0,0,2]=4 3016 B23R2.2760 CCCCOc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000102300_100000185958 [0,2,0,0,0,0|0,0,2]=4 3017 B23R2.2760 CCCCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000188518 [0,2,0,0,0,0|0,0,2]=4 3018 B23R2.2760 CCCCOc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000102300_100000185958 [0,2,0,0,0,0|0,0,2]=4 3019 B23R2.2760 CCCCOc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000102300_100011933945 [0,2,0,0,0,0|0,0,2]=4 3020 B23R2.2760 CCCCOc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000102300_100011933945 [0,2,0,0,0,0|0,0,2]=4 3021 B23R2.2760 CCCCOc1ccc(cc1)COCC(O)c2ccccc2 34a_100011205736_100000185958 [0,2,0,0,0,0|1,0,1]=4 3022 B23R2.2760 CCCCOc1ccc(cc1)COCC(O)c2ccccc2 7a_100011205736_100000185958 [0,2,0,0,0,0|1,0,1]=4 3023 B23R2.2760 CCCCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011205736_100011933945 [0,2,0,0,0,0|1,0,1]=4 3024 B23R2.2760 CCCCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100011205736_100011933945 [0,2,0,0,0,0|1,0,1]=4 3025 B23R2.2760 CCCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100011194258_100000729684 [0,2,0,0,0,0|2,0,0]=4 3026 B23R2.2760 CCCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100011194258_100000729684 [0,2,0,0,0,0|2,0,0]=4 3027 B23R2.2760 CCCCOc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100011215020_100000729684 [0,2,0,0,0,0|2,0,0]=4 3028 B23R2.2760 CCCCOc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100011215020_100000729684 [0,2,0,0,0,0|2,0,0]=4 3029 B23R2.2760 CCCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000230682 [0,2,0,0,0,0|2,0,0]=4 3030 B23R2.2760 COCCOc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000753292 [0,2,0,0,0,0|0,0,2]=4 3031 B23R2.2760 COCCOc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100011242488 [0,2,0,0,0,0|0,0,2]=4 3032 B23R2.2760 COCCOc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000739103_100000185958 [0,2,0,0,0,0|0,0,2]=4 3033 B23R2.2760 COCCOc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000753292 [0,2,0,0,0,0|0,0,2]=4 3034 B23R2.2760 COCCOc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000739103_100000185958 [0,2,0,0,0,0|0,0,2]=4 3035 B23R2.2760 COCCOc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000739103_100011933945 [0,2,0,0,0,0|0,0,2]=4 3036 B23R2.2760 COCCOc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000739103_100011933945 [0,2,0,0,0,0|0,0,2]=4 3037 B23R2.2760 COCCOc1ccc(cc1)COCC(O)c2ccccc2 34a_200011211010_100000185958 [0,2,0,0,0,0|1,0,1]=4 3038 B23R2.2760 COCCOc1ccc(cc1)COCC(O)c2ccccc2 7a_200011211010_100000185958 [0,2,0,0,0,0|1,0,1]=4 3039 B23R2.2760 COCCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_200011211010_100011933945 [0,2,0,0,0,0|1,0,1]=4 3040 B23R2.2760 COCCOc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_200011211010_100011933945 [0,2,0,0,0,0|1,0,1]=4 3041 B23R2.2760 COCCOc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100011242488 [0,2,0,0,0,0|1,0,1]=4 3042 B23R2.2760 COCCOc1ccc(cc1)CSCC(O)c2ccccc2 62a_100011242488_100000185958 [0,2,0,0,0,0|1,0,1]=4 3043 B23R2.2760 COCCOc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011242488_100011933945 [0,2,0,0,0,0|1,0,1]=4 3044 B23R2.2760 COCCOc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100011242488 [0,2,0,0,0,0|1,0,1]=4 3045 B23R2.2760 COCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000739146_100000729684 [0,2,0,0,0,0|2,0,0]=4 3046 B23R2.2760 COCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000739146_100000729684 [0,2,0,0,0,0|2,0,0]=4 3047 B23R2.2760 COCCOc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000726821_100000729684 [0,2,0,0,0,0|2,0,0]=4 3048 B23R2.2760 COCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000234135_100000729684 [0,2,0,0,0,0|2,0,0]=4 3049 B23R2.2760 COCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000234135 [0,2,0,0,0,0|2,0,0]=4 3050 B23R2.2760 N#CCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000172056_100000729684 [0,2,0,0,0,0|2,0,0]=4 3051 B23R2.2760 N#CCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000172056 [0,2,0,0,0,0|2,0,0]=4 3052 B23R2.2760 OC(CNCc1ccc(cc1)OCCCF)c2ccccc2 207a_100000210709_100011219438 [0,2,0,0,0,0|0,0,2]=4 3053 B23R2.2760 OC(CNCc1ccc(cc1)OCCCF)c2ccccc2 270004a_100000210709_100011219438 [0,2,0,0,0,0|0,0,2]=4 3054 B23R2.2760 OCCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000730458_100000729684 [0,2,0,0,0,0|2,0,0]=4 3055 B23R2.2760 OCCCOc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000730458_100000729684 [0,2,0,0,0,0|2,0,0]=4 3056 B23R2.2760 OCCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000756186 [0,2,0,0,0,0|2,0,0]=4 3057 B23R2.2760 OCCCOc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000756186_100000729684 [0,2,0,0,0,0|2,0,0]=4 3058 B23R2.23210 CCOC(=O)c1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100009812261 [0,2,0,0,0,0|0,0,2]=4 3059 B23R2.23210 CCOC(=O)c1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000170165 [0,2,0,0,0,0|0,0,2]=4 3060 B23R2.23210 CCOC(=O)c1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100009812261 [0,2,0,0,0,0|1,0,1]=4 3061 B23R2.23210 CCOC(=O)c1ccc(cc1)CSCC(O)c2ccccc2 62a_100009812261_100000185958 [0,2,0,0,0,0|1,0,1]=4 3062 B23R2.23210 CCOC(=O)c1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100009812261_100011933945 [0,2,0,0,0,0|1,0,1]=4 3063 B23R2.23210 CCOC(=O)c1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100009812261 [0,2,0,0,0,0|1,0,1]=4 3064 B23R2.23210 CCOC(=O)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000169885_100000729684 [0,2,0,0,0,0|2,0,0]=4 3065 B23R2.23210 CCOC(=O)c1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000169885_100000729684 [0,2,0,0,0,0|2,0,0]=4 3066 B23R2.23210 CCOC(=O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000169895_100000729684 [0,2,0,0,0,0|2,0,0]=4 3067 B23R2.23210 CCOC(=O)c1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000169919 [0,2,0,0,0,0|2,0,0]=4 3068 B23R2.56990 CC(C#N)Oc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000171792 [0,2,0,0,0,0|0,0,2]=4 3069 B23R2.56990 CC(C#N)Oc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000171792 [0,2,0,0,0,0|0,0,2]=4 3070 B23R2.56990 CCC(=O)Oc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_200000014686 [0,2,0,0,0,0|0,0,2]=4 3071 B23R2.56990 CCC(=O)Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200009811598 [0,2,0,0,0,0|2,0,0]=4 3072 B23R2.56990 CCC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_200000188537 [0,2,0,0,0,0|0,0,2]=4 3073 B23R2.56990 CCC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_200000188537 [0,2,0,0,0,0|0,0,2]=4 3074 B23R2.56990 CCC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 34a_100015187824_100000185958 [0,2,0,0,0,0|0,0,2]=4 3075 B23R2.56990 CCC(C)Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100015187824_100011933945 [0,2,0,0,0,0|0,0,2]=4 3076 B23R2.56990 CCC(C)Oc1ccc(cc1)COCC(O)c2ccccc2 34a_200000238737_100000185958 [0,2,0,0,0,0|1,0,1]=4 3077 B23R2.56990 CCC(C)Oc1ccc(cc1)COCC(O)c2ccccc2 7a_200000238737_100000185958 [0,2,0,0,0,0|1,0,1]=4 3078 B23R2.56990 CCC(C)Oc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_200000238737_100011933945 [0,2,0,0,0,0|1,0,1]=4 3079 B23R2.56990 CCC(C)Oc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_200000238737_100011933945 [0,2,0,0,0,0|1,0,1]=4 3080 B23R2.56990 CCC(C)Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000743956_100000729684 [0,2,0,0,0,0|2,0,0]=4 3081 B23R2.56990 CCC(C)Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 7a_100000743956_100000729684 [0,2,0,0,0,0|2,0,0]=4 3082 B23R2.86339 CCCOc1ccc(cc1Br)CNCC(O)c2ccccc2 207a_100000210709_100000173362 [0,2,0,0,0,0|0,0,2]=4 3083 B23R2.86339 CCCOc1ccc(cc1Br)CNCC(O)c2ccccc2 270004a_100000210709_100000173362 [0,2,0,0,0,0|0,0,2]=4 3084 B23R2.86339 CCCOc1ccc(cc1Cl)CNCC(O)c2ccccc2 207a_100000210709_200011202936 [0,2,0,0,0,0|0,0,2]=4 3085 B23R2.86339 CCCOc1ccc(cc1Cl)CNCC(O)c2ccccc2 270004a_100000210709_200011202936 [0,2,0,0,0,0|0,0,2]=4 3086 B23R2.86339 CCCOc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 34a_100000742593_100000729684 [0,2,0,0,0,0|2,0,0]=4 3087 B23R2.86339 CCCOc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 7a_100000742593_100000729684 [0,2,0,0,0,0|2,0,0]=4 3088 B23R2.86339 COCOc1ccc(cc1Br)CNCC(O)c2ccccc2 207a_100000210709_100012265718 [0,2,0,0,0,0|0,0,2]=4 3089 B23R2.86339 COCOc1ccc(cc1Br)CNCC(O)c2ccccc2 270004a_100000210709_100012265718 [0,2,0,0,0,0|0,0,2]=4 3090 B23R2.86339 COCOc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009812708 [0,2,0,0,0,0|2,0,0]=4 3091 B23R2.86339 COCOc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100009812708_100000729684 [0,2,0,0,0,0|2,0,0]=4 3092 B23R2.87341 CCCOc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_100000690199_100000691472 [0,2,0,0,0,0|1,0,1]=4 3093 B23R2.87341 CCCOc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_200000230827_100000185958 [0,2,0,0,0,0|1,0,1]=4 3094 B23R2.87341 CCCOc1ccc(cc1)CC(=O)C[C@@H](O)c2ccccc2 1458a_200000230827_100011933945 [0,2,0,0,0,0|1,0,1]=4 3095 B23R2.87341 CCCOc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000227976_100000691472 [0,2,0,0,0,0|0,0,2]=4 3096 B23R2.87341 CCCOc1ccc(cc1)CN(C)CC(O)c2ccccc2 269982a_100000227976_100000691472 [0,2,0,0,0,0|0,0,2]=4 3097 B23R2.87341 CCCOc1ccc(cc1)CN(C)CC(O)c2ccccc2 270004a_100000227976_100000169838 [0,2,0,0,0,0|0,0,2]=4 3098 B23R2.87341 CCCOc1ccc(cc1)NC(=O)CC(O)c2ccccc2 22a_100000748631_100000690199 [0,2,0,0,0,0|2,0,0]=4 3099 B23R2.87341 CN(Cc1ccc(cc1)OCCO)CC(O)c2ccccc2 270004a_100000227976_100011219967 [0,2,0,0,0,0|0,0,2]=4 3100 B23R2.87341 O=C(CC(O)c1ccccc1)Nc2ccc(cc2)OCCF 22a_100012282086_100000690199 [0,2,0,0,0,0|2,0,0]=4 3101 B23R2.87341 O=C(CC(O)c1ccccc1)Nc2ccc(cc2)OCCO 22a_100000754363_100000690199 [0,2,0,0,0,0|2,0,0]=4 3102 B23R2.150723 CCCOc1ccc(cc1)CNCC(O)c2ccccc2Br 207a_100011236429_100000169838 [0,2,0,0,0,0|0,0,2]=4 3103 B23R2.150723 CCCOc1ccc(cc1)CNCC(O)c2ccccc2Br 2230a_100011236429_100000691472 [0,2,0,0,0,0|0,0,2]=4 3104 B23R2.150723 CCCOc1ccc(cc1)CNCC(O)c2ccccc2Br 270004a_100011236429_100000169838 [0,2,0,0,0,0|0,0,2]=4 3105 B23R2.150723 CCCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 207a_200000759403_100000169838 [0,2,0,0,0,0|0,0,2]=4 3106 B23R2.150723 CCCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 2230a_200000759403_100000691472 [0,2,0,0,0,0|0,0,2]=4 3107 B23R2.150723 CCCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100000169838 [0,2,0,0,0,0|0,0,2]=4 3108 B23R2.150723 CCCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 34a_200000759403_100000691472 [0,2,0,0,0,0|0,0,2]=4 3109 B23R2.150723 OCCOc1ccc(cc1)CNCC(O)c2ccccc2Br 207a_100011236429_100011219967 [0,2,0,0,0,0|0,0,2]=4 3110 B23R2.150723 OCCOc1ccc(cc1)CNCC(O)c2ccccc2Br 270004a_100011236429_100011219967 [0,2,0,0,0,0|0,0,2]=4 3111 B23R2.150723 OCCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 207a_200000759403_100011219967 [0,2,0,0,0,0|0,0,2]=4 3112 B23R2.150723 OCCOc1ccc(cc1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100011219967 [0,2,0,0,0,0|0,0,2]=4 3113 B23R2.471653 C=C(C)COc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_200000171501 [0,2,0,0,0,0|0,0,2]=4 3114 B23R2.471653 C=C(C)COc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_200000171501 [0,2,0,0,0,0|0,0,2]=4 3115 B23R2.471653 C=C(C)COc1ccc(cc1)COCC(O)c2ccccc2 34a_100000173090_100000185958 [0,2,0,0,0,0|1,0,1]=4 3116 B23R2.471653 C=C(C)COc1ccc(cc1)COCC(O)c2ccccc2 7a_100000173090_100000185958 [0,2,0,0,0,0|1,0,1]=4 3117 B23R2.471653 C=C(C)COc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100000173090_100011933945 [0,2,0,0,0,0|1,0,1]=4 3118 B23R2.471653 C=C(C)COc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100000173090_100011933945 [0,2,0,0,0,0|1,0,1]=4 3119 B23R2.471653 C=C(C)COc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_200015186533_100000729684 [0,2,0,0,0,0|2,0,0]=4 3120 B23R2.471653 C=C(C)COc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_200015186533_100000729684 [0,2,0,0,0,0|2,0,0]=4 3121 B23R2.471653 CC(C)COc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000169839 [0,2,0,0,0,0|0,0,2]=4 3122 B23R2.471653 CC(C)COc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000169839 [0,2,0,0,0,0|0,0,2]=4 3123 B23R2.471653 CC(C)COc1ccc(cc1)CNCC(O)c2ccccc2 34a_100103151094_100000185958 [0,2,0,0,0,0|0,0,2]=4 3124 B23R2.471653 CC(C)COc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100103151094_100011933945 [0,2,0,0,0,0|0,0,2]=4 3125 B23R2.471653 CC(C)COc1ccc(cc1)NCCC(O)c2ccccc2 27a_100000763605_200000169949 [0,2,0,0,0,0|2,0,0]=4 3126 B23R2.471653 CC(C)COc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_200000243789_100000729684 [0,2,0,0,0,0|2,0,0]=4 3127 B23R2.471653 CC(C)COc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200000169949 [0,2,0,0,0,0|2,0,0]=4 3128 B23R2.471653 CC(C)COc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_200000169949_100000729684 [0,2,0,0,0,0|2,0,0]=4 3129 B23R2.471653 CC(C)OCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000758563 [0,2,0,0,0,0|2,0,0]=4 3130 B23R2.471653 CC(C)OCc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000758563_100000729684 [0,2,0,0,0,0|2,0,0]=4 3131 B23R2.471653 O[C@H](CCNc1ccc(cc1)OCC(F)F)c2ccccc2 2230a_100000766895_100000729684 [0,2,0,0,0,0|2,0,0]=4 3132 B23R2.471653 O[C@H](CCNc1ccc(cc1)OCC(F)F)c2ccccc2 34a_100000766895_100000729684 [0,2,0,0,0,0|2,0,0]=4 3133 B23R2.802391 CCCOc1ccc(c(c1)C)CNCC(O)c2ccccc2 207a_100000210709_100012183691 [0,2,0,0,0,0|0,0,2]=4 3134 B23R2.802391 CCCOc1ccc(c(c1)C)CNCC(O)c2ccccc2 270004a_100000210709_100012183691 [0,2,0,0,0,0|0,0,2]=4 3135 B23R2.802391 CCCOc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 34a_100000743293_100000729684 [0,2,0,0,0,0|2,0,0]=4 3136 B23R2.802391 CCCOc1ccc(c(c1)C)NCC[C@@H](O)c2ccccc2 7a_100000743293_100000729684 [0,2,0,0,0,0|2,0,0]=4 3137 B23R2.802391 CCCOc1ccc(c(c1)C)SCC[C@@H](O)c2ccccc2 62a_100000729684_200012361509 [0,2,0,0,0,0|2,0,0]=4 3138 B23R2.802391 CCCOc1ccc(c(c1)C)SCC[C@@H](O)c2ccccc2 62a_200012361509_100000729684 [0,2,0,0,0,0|2,0,0]=4 3139 B23R2.802391 CCCOc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_200012236930 [0,2,0,0,0,0|2,0,0]=4 3140 B23R2.802391 CCCOc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_200012236930_100000729684 [0,2,0,0,0,0|2,0,0]=4 3141 B23R2.802391 COCOc1ccc(c(c1)Cl)CNCC(O)c2ccccc2 207a_100000210709_200010992053 [0,2,0,0,0,0|0,0,2]=4 3142 B23R2.802391 COCOc1ccc(c(c1)Cl)CNCC(O)c2ccccc2 270004a_100000210709_200010992053 [0,2,0,0,0,0|0,0,2]=4 3143 B23R2.802391 COCOc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012265695 [0,2,0,0,0,0|2,0,0]=4 3144 B23R2.802391 COCOc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100012265695_100000729684 [0,2,0,0,0,0|2,0,0]=4 3145 B23R2.152356 CC(C)Oc1ccc(cc1Br)CNCC(O)c2ccccc2 207a_100000210709_200000173091 [0,2,0,0,0,0|0,0,2]=4 3146 B23R2.152356 CC(C)Oc1ccc(cc1Br)CNCC(O)c2ccccc2 270004a_100000210709_200000173091 [0,2,0,0,0,0|0,0,2]=4 3147 B23R2.152356 CC(C)Oc1ccc(cc1Br)NCC[C@@H](O)c2ccccc2 2230a_200000706018_100000729684 [0,2,0,0,0,0|2,0,0]=4 3148 B23R2.152356 CC(C)Oc1ccc(cc1Br)NCC[C@@H](O)c2ccccc2 34a_200000706018_100000729684 [0,2,0,0,0,0|2,0,0]=4 3149 B23R2.152356 CC(C)Oc1ccc(cc1Br)NCC[C@@H](O)c2ccccc2 7a_200000706018_100000729684 [0,2,0,0,0,0|2,0,0]=4 3150 B23R2.152356 CC(C)Oc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 2230a_100000737677_100000729684 [0,2,0,0,0,0|2,0,0]=4 3151 B23R2.152356 CC(C)Oc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 34a_100000737677_100000729684 [0,2,0,0,0,0|2,0,0]=4 3152 B23R2.152356 CC(C)Oc1ccc(cc1Cl)NCC[C@@H](O)c2ccccc2 7a_100000737677_100000729684 [0,2,0,0,0,0|2,0,0]=4 3153 B23R2.152356 CC(C)Oc1ccc(cc1F)CNCC(O)c2ccccc2 2230a_106430523230_100000185958 [0,2,0,0,0,0|0,0,2]=4 3154 B23R2.152356 CC(C)Oc1ccc(cc1F)CNCC(O)c2ccccc2 34a_106430523230_100000185958 [0,2,0,0,0,0|0,0,2]=4 3155 B23R2.152356 CC(C)Oc1ccc(cc1F)CNC[C@@H](O)c2ccccc2 2230a_106430523230_100011933945 [0,2,0,0,0,0|0,0,2]=4 3156 B23R2.152356 CC(C)Oc1ccc(cc1F)CNC[C@@H](O)c2ccccc2 34a_106430523230_100011933945 [0,2,0,0,0,0|0,0,2]=4 3157 B23R2.152356 CC(C)Oc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009811877 [0,2,0,0,0,0|2,0,0]=4 3158 B23R2.152356 CC(C)Oc1ccc(cc1F)SCC[C@@H](O)c2ccccc2 62a_100009811877_100000729684 [0,2,0,0,0,0|2,0,0]=4 3159 B23R2.152356 CC(C)Oc1ccc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100000690130_100000729684 [0,2,0,0,0,0|2,0,0]=4 3160 B23R2.152356 CC(C)Oc1ccc(cc1N)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000690130 [0,2,0,0,0,0|2,0,0]=4 3161 B23R2.152356 Cc1cc(ccc1OC(C)C)SCC[C@@H](O)c2ccccc2 62a_100000729684_200011825982 [0,2,0,0,0,0|2,0,0]=4 3162 B23R2.152356 Cc1cc(ccc1OC(C)C)SCC[C@@H](O)c2ccccc2 62a_200011825982_100000729684 [0,2,0,0,0,0|2,0,0]=4 3163 B23R2.152393 CC(C)Oc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 2230a_100000747098_100000729684 [0,2,0,0,0,0|2,0,0]=4 3164 B23R2.152393 CC(C)Oc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 34a_100000747098_100000729684 [0,2,0,0,0,0|2,0,0]=4 3165 B23R2.152393 CC(C)Oc1ccc(c(c1)F)NCC[C@@H](O)c2ccccc2 7a_100000747098_100000729684 [0,2,0,0,0,0|2,0,0]=4 3166 B23R2.152393 CC(C)Oc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_200012236954 [0,2,0,0,0,0|2,0,0]=4 3167 B23R2.152393 CC(C)Oc1ccc(c(c1)F)SCC[C@@H](O)c2ccccc2 62a_200012236954_100000729684 [0,2,0,0,0,0|2,0,0]=4 3168 B23R2.369861 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2Br 207a_100011236429_100000169837 [0,2,0,0,0,0|0,0,2]=4 3169 B23R2.369861 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2Br 270004a_100011236429_100000169837 [0,2,0,0,0,0|0,0,2]=4 3170 B23R2.369861 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2Cl 207a_200000759403_100000169837 [0,2,0,0,0,0|0,0,2]=4 3171 B23R2.369861 CC(C)Oc1ccc(cc1)CNCC(O)c2ccccc2Cl 270004a_200000759403_100000169837 [0,2,0,0,0,0|0,0,2]=4 3172 B23R2.478043 CC(C)(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100011215133 [0,2,0,0,0,0|0,0,2]=4 3173 B23R2.478043 CC(C)(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000745534_100000185958 [0,2,0,0,0,0|0,0,2]=4 3174 B23R2.478043 CC(C)(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100011215133 [0,2,0,0,0,0|0,0,2]=4 3175 B23R2.478043 CC(C)(C)Oc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000745534_100000185958 [0,2,0,0,0,0|0,0,2]=4 3176 B23R2.478043 CC(C)(C)Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000745534_100011933945 [0,2,0,0,0,0|0,0,2]=4 3177 B23R2.478043 CC(C)(C)Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000745534_100011933945 [0,2,0,0,0,0|0,0,2]=4 3178 B23R2.478043 CC(C)(C)Oc1ccc(cc1)COCC(O)c2ccccc2 34a_100011218667_100000185958 [0,2,0,0,0,0|1,0,1]=4 3179 B23R2.478043 CC(C)(C)Oc1ccc(cc1)COCC(O)c2ccccc2 7a_100011218667_100000185958 [0,2,0,0,0,0|1,0,1]=4 3180 B23R2.478043 CC(C)(C)Oc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011218667_100011933945 [0,2,0,0,0,0|1,0,1]=4 3181 B23R2.478043 CC(C)(C)Oc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100011218667_100011933945 [0,2,0,0,0,0|1,0,1]=4 3182 B23R2.478043 CC(C)(C)Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 2230a_100000760240_100000729684 [0,2,0,0,0,0|2,0,0]=4 3183 B23R2.478043 CC(C)(C)Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000760240_100000729684 [0,2,0,0,0,0|2,0,0]=4 3184 B23R2.478043 CC(C)(C)Oc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000061920_100000729684 [0,2,0,0,0,0|2,0,0]=4 3185 B23R2.478043 CC(C)(C)Oc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000061920_100000729684 [0,2,0,0,0,0|2,0,0]=4 3186 B23R2.478043 CC(C)(C)Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000701926_100000729684 [0,2,0,0,0,0|2,0,0]=4 3187 B23R2.478043 CC(C)(C)Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000701926 [0,2,0,0,0,0|2,0,0]=4 3188 B23R2.810535 CC(C)Oc1ccc(cc1)CC(=O)CC(O)c2ccccc2 1458a_100000244678_100000185958 [0,2,0,0,0,0|1,0,1]=4 3189 B23R2.810535 CC(C)Oc1ccc(cc1)CC(=O)C[C@@H](O)c2ccccc2 1458a_100000244678_100011933945 [0,2,0,0,0,0|1,0,1]=4 3190 B23R2.810535 CC(C)Oc1ccc(cc1)CN(C)CC(O)c2ccccc2 2230a_100000713913_100000185958 [0,2,0,0,0,0|0,0,2]=4 3191 B23R2.810535 CC(C)Oc1ccc(cc1)CN(C)CC(O)c2ccccc2 26a_100000227976_100000757185 [0,2,0,0,0,0|0,0,2]=4 3192 B23R2.810535 CC(C)Oc1ccc(cc1)CN(C)CC(O)c2ccccc2 270004a_100000227976_100000169837 [0,2,0,0,0,0|0,0,2]=4 3193 B23R2.810535 CC(C)Oc1ccc(cc1)CN(C)CC(O)c2ccccc2 34a_100000713913_100000185958 [0,2,0,0,0,0|0,0,2]=4 3194 B23R2.810535 CC(C)Oc1ccc(cc1)CN(C)C[C@@H](O)c2ccccc2 2230a_100000713913_100011933945 [0,2,0,0,0,0|0,0,2]=4 3195 B23R2.810535 CC(C)Oc1ccc(cc1)CN(C)C[C@@H](O)c2ccccc2 34a_100000713913_100011933945 [0,2,0,0,0,0|0,0,2]=4 3196 B23R2.810535 CC(C)Oc1ccc(cc1)NC(=O)CC(O)c2ccccc2 22a_100011194259_100000690199 [0,2,0,0,0,0|2,0,0]=4 3197 B23R2.4970860 CCOc1ccc(cc1Br)CNCC(O)c2ccccc2Br 207a_100011236429_100000173028 [0,2,0,0,0,0|0,0,2]=4 3198 B23R2.4970860 CCOc1ccc(cc1Br)CNCC(O)c2ccccc2Br 270004a_100011236429_100000173028 [0,2,0,0,0,0|0,0,2]=4 3199 B23R2.4970860 CCOc1ccc(cc1Br)CNCC(O)c2ccccc2Cl 207a_200000759403_100000173028 [0,2,0,0,0,0|0,0,2]=4 3200 B23R2.4970860 CCOc1ccc(cc1Br)CNCC(O)c2ccccc2Cl 270004a_200000759403_100000173028 [0,2,0,0,0,0|0,0,2]=4 3201 B23R2.4970860 CCOc1ccc(cc1C)CNCC(O)c2ccccc2Br 207a_100011236429_100012017204 [0,2,0,0,0,0|0,0,2]=4 3202 B23R2.4970860 CCOc1ccc(cc1C)CNCC(O)c2ccccc2Br 270004a_100011236429_100012017204 [0,2,0,0,0,0|0,0,2]=4 3203 B23R2.4970860 CCOc1ccc(cc1C)CNCC(O)c2ccccc2Cl 207a_200000759403_100012017204 [0,2,0,0,0,0|0,0,2]=4 3204 B23R2.4970860 CCOc1ccc(cc1C)CNCC(O)c2ccccc2Cl 270004a_200000759403_100012017204 [0,2,0,0,0,0|0,0,2]=4 3205 B23R2.4970860 CCOc1ccc(cc1Cl)CNCC(O)c2ccccc2Br 207a_100011236429_200000188301 [0,2,0,0,0,0|0,0,2]=4 3206 B23R2.4970860 CCOc1ccc(cc1Cl)CNCC(O)c2ccccc2Br 270004a_100011236429_200000188301 [0,2,0,0,0,0|0,0,2]=4 3207 B23R2.4970860 CCOc1ccc(cc1Cl)CNCC(O)c2ccccc2Cl 207a_200000759403_200000188301 [0,2,0,0,0,0|0,0,2]=4 3208 B23R2.4970860 CCOc1ccc(cc1Cl)CNCC(O)c2ccccc2Cl 270004a_200000759403_200000188301 [0,2,0,0,0,0|0,0,2]=4 3209 B23R2.4970860 CCOc1ccc(cc1I)CNCC(O)c2ccccc2Br 207a_100011236429_200000123116 [0,2,0,0,0,0|0,0,2]=4 3210 B23R2.4970860 CCOc1ccc(cc1I)CNCC(O)c2ccccc2Br 269862a_100011236429_200000123116 [0,2,0,0,0,0|0,0,2]=4 3211 B23R2.4970860 CCOc1ccc(cc1I)CNCC(O)c2ccccc2Br 270004a_100011236429_200000123116 [0,2,0,0,0,0|0,0,2]=4 3212 B23R2.4970860 CCOc1ccc(cc1I)CNCC(O)c2ccccc2Cl 207a_200000759403_200000123116 [0,2,0,0,0,0|0,0,2]=4 3213 B23R2.4970860 CCOc1ccc(cc1I)CNCC(O)c2ccccc2Cl 269862a_200000759403_200000123116 [0,2,0,0,0,0|0,0,2]=4 3214 B23R2.4970860 CCOc1ccc(cc1I)CNCC(O)c2ccccc2Cl 270004a_200000759403_200000123116 [0,2,0,0,0,0|0,0,2]=4 3215 B23R2.9545676 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccc2Br 207a_100011236429_200012721597 [0,2,0,0,0,0|0,0,2]=4 3216 B23R2.9545676 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccc2Br 270004a_100011236429_200012721597 [0,2,0,0,0,0|0,0,2]=4 3217 B23R2.9545676 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccc2Cl 207a_200000759403_200012721597 [0,2,0,0,0,0|0,0,2]=4 3218 B23R2.9545676 CCOc1ccc(c(c1)Br)CNCC(O)c2ccccc2Cl 270004a_200000759403_200012721597 [0,2,0,0,0,0|0,0,2]=4 3219 B23R2.9545676 CCOc1ccc(c(c1)C)CNCC(O)c2ccccc2Br 207a_100011236429_100011361535 [0,2,0,0,0,0|0,0,2]=4 3220 B23R2.9545676 CCOc1ccc(c(c1)C)CNCC(O)c2ccccc2Br 270004a_100011236429_100011361535 [0,2,0,0,0,0|0,0,2]=4 3221 B23R2.9545676 CCOc1ccc(c(c1)C)CNCC(O)c2ccccc2Cl 207a_200000759403_100011361535 [0,2,0,0,0,0|0,0,2]=4 3222 B23R2.9545676 CCOc1ccc(c(c1)C)CNCC(O)c2ccccc2Cl 270004a_200000759403_100011361535 [0,2,0,0,0,0|0,0,2]=4 3223 B23R2.9545676 CCOc1ccc(c(c1)F)CNCC(O)c2ccccc2Br 2230a_100011236429_200016184943 [0,2,0,0,0,0|0,0,2]=4 3224 B23R2.9545676 CCOc1ccc(c(c1)F)CNCC(O)c2ccccc2Cl 2230a_200000759403_200016184943 [0,2,0,0,0,0|0,0,2]=4 3225 B23R2.9545676 CCOc1ccc(c(c1)F)CNCC(O)c2ccccc2Cl 34a_200000759403_200016184943 [0,2,0,0,0,0|0,0,2]=4 3226 B23R2.171023 CCOc1ccc(cc1)CN[C@H](CO)[C@H](O)c2ccccc2 207a_100000004308_100000169836 [0,2,0,0,0,0|0,0,2]=4 3227 B23R2.171023 CCOc1ccc(cc1)CN[C@H](CO)[C@H](O)c2ccccc2 270004a_100000004308_100000169836 [0,2,0,0,0,0|0,0,2]=4 3228 B23R2.167729 CCOc1ccc(cc1C#N)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000188824 [0,2,0,0,0,0|2,0,0]=4 3229 B23R2.167729 CCOc1ccc(cc1C=O)SCC[C@@H](O)c2ccccc2 62a_100000170027_100000729684 [0,2,0,0,0,0|2,0,0]=4 3230 B23R2.167729 CCOc1ccc(cc1CC)SCC[C@@H](O)c2ccccc2 62a_100000729684_200010070707 [0,2,0,0,0,0|2,0,0]=4 3231 B23R2.167729 CCOc1ccc(cc1CC)SCC[C@@H](O)c2ccccc2 62a_200010070707_100000729684 [0,2,0,0,0,0|2,0,0]=4 3232 B23R2.167729 CCOc1ccc(cc1CO)CNCC(O)c2ccccc2 207a_100000210709_100000051005 [0,2,0,0,0,0|0,0,2]=4 3233 B23R2.167729 CCOc1ccc(cc1CO)CNCC(O)c2ccccc2 270004a_100000210709_100000051005 [0,2,0,0,0,0|0,0,2]=4 3234 B23R2.167729 CCOc1ccc(cc1OC)CNCC(O)c2ccccc2 207a_100000210709_100000169853 [0,2,0,0,0,0|0,0,2]=4 3235 B23R2.167729 CCOc1ccc(cc1OC)CNCC(O)c2ccccc2 2230a_200000739100_100000185958 [0,2,0,0,0,0|0,0,2]=4 3236 B23R2.167729 CCOc1ccc(cc1OC)CNCC(O)c2ccccc2 270004a_100000210709_100000169853 [0,2,0,0,0,0|0,0,2]=4 3237 B23R2.167729 CCOc1ccc(cc1OC)CNCC(O)c2ccccc2 34a_200000739100_100000185958 [0,2,0,0,0,0|0,0,2]=4 3238 B23R2.167729 CCOc1ccc(cc1OC)CNC[C@@H](O)c2ccccc2 2230a_200000739100_100011933945 [0,2,0,0,0,0|0,0,2]=4 3239 B23R2.167729 CCOc1ccc(cc1OC)CNC[C@@H](O)c2ccccc2 34a_200000739100_100011933945 [0,2,0,0,0,0|0,0,2]=4 3240 B23R2.167729 CCOc1ccc(cc1OC)COCC(O)c2ccccc2 34a_100000184821_100000185958 [0,2,0,0,0,0|1,0,1]=4 3241 B23R2.167729 CCOc1ccc(cc1OC)COC[C@@H](O)c2ccccc2 34a_100000184821_100011933945 [0,2,0,0,0,0|1,0,1]=4 3242 B23R2.167729 CCOc1ccc(cc1OC)NCC[C@@H](O)c2ccccc2 2230a_100000184985_100000729684 [0,2,0,0,0,0|2,0,0]=4 3243 B23R2.167729 CCOc1ccc(cc1OC)NCC[C@@H](O)c2ccccc2 34a_100000184985_100000729684 [0,2,0,0,0,0|2,0,0]=4 3244 B23R2.168043 CCOc1ccc(cc1Br)CN(C)CC(O)c2ccccc2 270004a_100000227976_100000173028 [0,2,0,0,0,0|0,0,2]=4 3245 B23R2.168043 CCOc1ccc(cc1C)CN(C)CC(O)c2ccccc2 270004a_100000227976_100012017204 [0,2,0,0,0,0|0,0,2]=4 3246 B23R2.168043 CCOc1ccc(cc1Cl)CN(C)CC(O)c2ccccc2 270004a_100000227976_200000188301 [0,2,0,0,0,0|0,0,2]=4 3247 B23R2.168043 CCOc1ccc(cc1Cl)NC(=O)CC(O)c2ccccc2 22a_100000741444_100000690199 [0,2,0,0,0,0|2,0,0]=4 3248 B23R2.168043 CCOc1ccc(cc1I)CN(C)CC(O)c2ccccc2 270004a_100000227976_200000123116 [0,2,0,0,0,0|0,0,2]=4 3249 B23R2.3257053 CCOc1ccc(c(c1F)F)CNCC(O)c2ccccc2 207a_100000210709_100000061987 [0,2,0,0,0,0|0,0,2]=4 3250 B23R2.3257053 CCOc1ccc(c(c1F)F)CNCC(O)c2ccccc2 2230a_100000210709_200009814557 [0,2,0,0,0,0|0,0,2]=4 3251 B23R2.3257053 CCOc1ccc(c(c1F)F)COCC(O)c2ccccc2 34a_100000061422_100000185958 [0,2,0,0,0,0|1,0,1]=4 3252 B23R2.3257053 CCOc1ccc(c(c1F)F)COCC(O)c2ccccc2 7a_100000061422_100000185958 [0,2,0,0,0,0|1,0,1]=4 3253 B23R2.3257053 CCOc1ccc(c(c1F)F)COC[C@@H](O)c2ccccc2 34a_100000061422_100011933945 [0,2,0,0,0,0|1,0,1]=4 3254 B23R2.3257053 CCOc1ccc(c(c1F)F)COC[C@@H](O)c2ccccc2 7a_100000061422_100011933945 [0,2,0,0,0,0|1,0,1]=4 3255 B23R2.3257053 CCOc1ccc(c(c1F)F)CSCC(O)c2ccccc2 62a_100000185958_200009814557 [0,2,0,0,0,0|1,0,1]=4 3256 B23R2.3257053 CCOc1ccc(c(c1F)F)CSCC(O)c2ccccc2 62a_200009814557_100000185958 [0,2,0,0,0,0|1,0,1]=4 3257 B23R2.3257053 CCOc1ccc(c(c1F)F)CSC[C@@H](O)c2ccccc2 62a_100011933945_200009814557 [0,2,0,0,0,0|1,0,1]=4 3258 B23R2.3257053 CCOc1ccc(c(c1F)F)CSC[C@@H](O)c2ccccc2 62a_200009814557_100011933945 [0,2,0,0,0,0|1,0,1]=4 3259 B23R2.3257053 CCOc1ccc(c(c1F)F)NCC[C@@H](O)c2ccccc2 2230a_100000061421_100000729684 [0,2,0,0,0,0|2,0,0]=4 3260 B23R2.3257053 CCOc1ccc(c(c1F)F)NCC[C@@H](O)c2ccccc2 34a_100000061421_100000729684 [0,2,0,0,0,0|2,0,0]=4 3261 B23R2.3257053 CCOc1ccc(c(c1F)F)NCC[C@@H](O)c2ccccc2 7a_100000061421_100000729684 [0,2,0,0,0,0|2,0,0]=4 3262 B23R2.3257053 CCOc1ccc(c(c1F)F)OCC[C@@H](O)c2ccccc2 34a_100000061663_100000729684 [0,2,0,0,0,0|2,0,0]=4 3263 B23R2.3257053 CCOc1ccc(c(c1F)F)OCC[C@@H](O)c2ccccc2 7a_100000061663_100000729684 [0,2,0,0,0,0|2,0,0]=4 3264 B23R2.3257053 CCOc1ccc(c(c1F)F)SCC[C@@H](O)c2ccccc2 62a_100000729684_100010177744 [0,2,0,0,0,0|2,0,0]=4 3265 B23R2.3257053 CCOc1ccc(c(c1F)F)SCC[C@@H](O)c2ccccc2 62a_100010177744_100000729684 [0,2,0,0,0,0|2,0,0]=4 3266 B23R2.6450263 CCOc1c(cc(cc1Br)CNCC(O)c2ccccc2)Br 207a_100000210709_100000184202 [0,2,0,0,0,0|0,0,2]=4 3267 B23R2.6450263 CCOc1c(cc(cc1Br)CNCC(O)c2ccccc2)Br 269862a_100000210709_100000184202 [0,2,0,0,0,0|0,0,2]=4 3268 B23R2.6450263 CCOc1c(cc(cc1Br)CNCC(O)c2ccccc2)Br 270004a_100000210709_100000184202 [0,2,0,0,0,0|0,0,2]=4 3269 B23R2.6450263 CCOc1c(cc(cc1Br)NCC[C@@H](O)c2ccccc2)Cl 34a_200010126271_100000729684 [0,2,0,0,0,0|2,0,0]=4 3270 B23R2.6450263 CCOc1c(cc(cc1Br)NCC[C@@H](O)c2ccccc2)Cl 7a_200010126271_100000729684 [0,2,0,0,0,0|2,0,0]=4 3271 B23R2.6450263 CCOc1c(cc(cc1C)CNCC(O)c2ccccc2)C 207a_100000210709_200011198599 [0,2,0,0,0,0|0,0,2]=4 3272 B23R2.6450263 CCOc1c(cc(cc1C)CNCC(O)c2ccccc2)C 270004a_100000210709_200011198599 [0,2,0,0,0,0|0,0,2]=4 3273 B23R2.6450263 CCOc1c(cc(cc1C)COCC(O)c2ccccc2)C 34a_100000750731_100000185958 [0,2,0,0,0,0|1,0,1]=4 3274 B23R2.6450263 CCOc1c(cc(cc1C)COCC(O)c2ccccc2)C 7a_100000750731_100000185958 [0,2,0,0,0,0|1,0,1]=4 3275 B23R2.6450263 CCOc1c(cc(cc1C)COC[C@@H](O)c2ccccc2)C 34a_100000750731_100011933945 [0,2,0,0,0,0|1,0,1]=4 3276 B23R2.6450263 CCOc1c(cc(cc1C)COC[C@@H](O)c2ccccc2)C 7a_100000750731_100011933945 [0,2,0,0,0,0|1,0,1]=4 3277 B23R2.6450263 CCOc1c(cc(cc1Cl)CNCC(O)c2ccccc2)F 207a_100000210709_100000061655 [0,2,0,0,0,0|0,0,2]=4 3278 B23R2.6450263 CCOc1c(cc(cc1Cl)CNCC(O)c2ccccc2)F 2230a_100000210709_100010209347 [0,2,0,0,0,0|0,0,2]=4 3279 B23R2.6450263 CCOc1c(cc(cc1Cl)CNCC(O)c2ccccc2)F 270004a_100000210709_100000061655 [0,2,0,0,0,0|0,0,2]=4 3280 B23R2.6450263 CCOc1c(cc(cc1Cl)CSCC(O)c2ccccc2)F 62a_100000185958_100010209347 [0,2,0,0,0,0|1,0,1]=4 3281 B23R2.6450263 CCOc1c(cc(cc1Cl)CSCC(O)c2ccccc2)F 62a_100010209347_100000185958 [0,2,0,0,0,0|1,0,1]=4 3282 B23R2.6450263 CCOc1c(cc(cc1Cl)CSC[C@@H](O)c2ccccc2)F 62a_100010209347_100011933945 [0,2,0,0,0,0|1,0,1]=4 3283 B23R2.6450263 CCOc1c(cc(cc1Cl)CSC[C@@H](O)c2ccccc2)F 62a_100011933945_100010209347 [0,2,0,0,0,0|1,0,1]=4 3284 B23R2.6450263 CCOc1c(cc(cc1F)CNCC(O)c2ccccc2)F 207a_100000210709_100011830268 [0,2,0,0,0,0|0,0,2]=4 3285 B23R2.6450263 CCOc1c(cc(cc1F)CNCC(O)c2ccccc2)F 270004a_100000210709_100011830268 [0,2,0,0,0,0|0,0,2]=4 3286 B23R2.6450263 CCOc1c(cc(cc1F)NCC[C@@H](O)c2ccccc2)F 34a_100011396735_100000729684 [0,2,0,0,0,0|2,0,0]=4 3287 B23R2.6450263 CCOc1c(cc(cc1F)NCC[C@@H](O)c2ccccc2)F 7a_100011396735_100000729684 [0,2,0,0,0,0|2,0,0]=4 3288 B23R2.6450263 CCOc1c(cc(cc1F)OCC[C@@H](O)c2ccccc2)F 34a_100000061417_100000729684 [0,2,0,0,0,0|2,0,0]=4 3289 B23R2.6450263 CCOc1c(cc(cc1F)OCC[C@@H](O)c2ccccc2)F 7a_100000061417_100000729684 [0,2,0,0,0,0|2,0,0]=4 3290 B23R2.6450263 CCOc1c(cc(cc1F)SCC[C@@H](O)c2ccccc2)F 62a_100000729684_200010078527 [0,2,0,0,0,0|2,0,0]=4 3291 B23R2.6450263 CCOc1c(cc(cc1F)SCC[C@@H](O)c2ccccc2)F 62a_200010078527_100000729684 [0,2,0,0,0,0|2,0,0]=4 3292 B23R2.169860 CCOc1ccc(cc1)CN(CC)CC(O)c2ccccc2 2230a_200015185875_100000185958 [0,2,0,0,0,0|0,0,2]=4 3293 B23R2.169860 CCOc1ccc(cc1)CN(CC)C[C@@H](O)c2ccccc2 2230a_200015185875_100011933945 [0,2,0,0,0,0|0,0,2]=4 3294 B23R2.526890 CCOc1ccc(c(c1)Br)CN(C)CC(O)c2ccccc2 270004a_100000227976_200012721597 [0,2,0,0,0,0|0,0,2]=4 3295 B23R2.526890 CCOc1ccc(c(c1)C)CN(C)CC(O)c2ccccc2 270004a_100000227976_100011361535 [0,2,0,0,0,0|0,0,2]=4 3296 B23R2.526890 CCOc1ccc(c(c1)C)NC(=O)CC(O)c2ccccc2 22a_100000742753_100000690199 [0,2,0,0,0,0|2,0,0]=4 3297 B23R2.526890 CCOc1ccc(c(c1)F)CC(=O)CC(O)c2ccccc2 1458a_100000690199_200016184943 [0,2,0,0,0,0|1,0,1]=4 3298 B23R2.526890 CCOc1ccc(c(c1)F)CN(C)CC(O)c2ccccc2 2230a_100000227976_200016184943 [0,2,0,0,0,0|0,0,2]=4 3299 B23R2.526890 CCOc1ccc(c(c1)F)CN(C)CC(O)c2ccccc2 269982a_100000227976_200016184943 [0,2,0,0,0,0|0,0,2]=4 3300 B23R2.526890 CCOc1ccc(c(c1)F)NC(=O)CC(O)c2ccccc2 22a_100015186438_100000690199 [0,2,0,0,0,0|2,0,0]=4 3301 B23R2.49488 CCOc1cc(c(c(c1)F)CNCC(O)c2ccccc2)F 207a_100000210709_100000061416 [0,2,0,0,0,0|0,0,2]=4 3302 B23R2.49488 CCOc1cc(c(c(c1)F)CNCC(O)c2ccccc2)F 2230a_100000210709_100009814556 [0,2,0,0,0,0|0,0,2]=4 3303 B23R2.49488 CCOc1cc(c(c(c1)F)CNCC(O)c2ccccc2)F 270004a_100000210709_100000061416 [0,2,0,0,0,0|0,0,2]=4 3304 B23R2.49488 CCOc1cc(c(c(c1)F)COCC(O)c2ccccc2)F 34a_100000061418_100000185958 [0,2,0,0,0,0|1,0,1]=4 3305 B23R2.49488 CCOc1cc(c(c(c1)F)COCC(O)c2ccccc2)F 7a_100000061418_100000185958 [0,2,0,0,0,0|1,0,1]=4 3306 B23R2.49488 CCOc1cc(c(c(c1)F)COC[C@@H](O)c2ccccc2)F 34a_100000061418_100011933945 [0,2,0,0,0,0|1,0,1]=4 3307 B23R2.49488 CCOc1cc(c(c(c1)F)COC[C@@H](O)c2ccccc2)F 7a_100000061418_100011933945 [0,2,0,0,0,0|1,0,1]=4 3308 B23R2.49488 CCOc1cc(c(c(c1)F)CSCC(O)c2ccccc2)F 62a_100000185958_100009814556 [0,2,0,0,0,0|1,0,1]=4 3309 B23R2.49488 CCOc1cc(c(c(c1)F)CSCC(O)c2ccccc2)F 62a_100009814556_100000185958 [0,2,0,0,0,0|1,0,1]=4 3310 B23R2.49488 CCOc1cc(c(c(c1)F)CSC[C@@H](O)c2ccccc2)F 62a_100009814556_100011933945 [0,2,0,0,0,0|1,0,1]=4 3311 B23R2.49488 CCOc1cc(c(c(c1)F)CSC[C@@H](O)c2ccccc2)F 62a_100011933945_100009814556 [0,2,0,0,0,0|1,0,1]=4 3312 B23R2.525835 CCOc1ccc(c(c1)C=O)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012345016 [0,2,0,0,0,0|2,0,0]=4 3313 B23R2.525835 CCOc1ccc(c(c1)C=O)SCC[C@@H](O)c2ccccc2 62a_100012345016_100000729684 [0,2,0,0,0,0|2,0,0]=4 3314 B21R2.14026 CCOc1cccc(c1N)SCC(O)c2ccccc2 62a_200103155331_100000185958 [0,0,1,1,0,0|2,0,0]=4 3315 B21R2.14026 CCOc1cccc(c1N)SC[C@@H](O)c2ccccc2 62a_200103155331_100011933945 [0,0,1,1,0,0|2,0,0]=4 3316 B21R2.14296 CCOc1ccc(c(c1)SCC(O)c2ccccc2)C 62a_100000185958_100011099959 [0,0,1,1,0,0|1,0,1]=4 3317 B21R2.14296 CCOc1ccc(c(c1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_100011099959 [0,0,1,1,0,0|1,0,1]=4 3318 B21R3.5 CCc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100000767149_100000729704 [1,0,0,1,0,0|0,0,2]=4 3319 B21R3.5 COc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100000754496_100000729704 [1,0,0,1,0,0|0,0,2]=4 3320 B21R3.181633 CCc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100000767149_100000067196 [1,0,0,1,0,0|0,0,2]=4 3321 B21R3.181633 COc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100000754496_100000067196 [1,0,0,1,0,0|0,0,2]=4 3322 B21R3.8000859 OC(CNCc1ccc2c(c1)CC2)c3ccccc3 207a_100000210709_100010273998 [1,0,0,1,0,0|0,0,2]=4 3323 B21R3.8000859 OC(CNCc1ccc2c(c1)CC2)c3ccccc3 270004a_100000210709_100010273998 [1,0,0,1,0,0|0,0,2]=4 3324 B21R3.8000859 OC(COCc1ccc2c(c1)CC2)c3ccccc3 34a_100010733339_100000185958 [1,0,0,1,0,0|1,0,1]=4 3325 B21R3.8000859 OC(COCc1ccc2c(c1)CC2)c3ccccc3 7a_100010733339_100000185958 [1,0,0,1,0,0|1,0,1]=4 3326 B21R3.8000859 O[C@H](CCSc1ccc2c(c1)CC2)c3ccccc3 62a_100000729684_100009818592 [1,0,0,1,0,0|2,0,0]=4 3327 B21R3.8000859 O[C@H](CCSc1ccc2c(c1)CC2)c3ccccc3 62a_100009818592_100000729684 [1,0,0,1,0,0|2,0,0]=4 3328 B21R3.8000859 O[C@H](COCc1ccc2c(c1)CC2)c3ccccc3 34a_100010733339_100011933945 [1,0,0,1,0,0|1,0,1]=4 3329 B21R3.8000859 O[C@H](COCc1ccc2c(c1)CC2)c3ccccc3 7a_100010733339_100011933945 [1,0,0,1,0,0|1,0,1]=4 3330 B21R3.2849 CCOc1ccc(cc1)COC2Cc3c2cccc3 7a_100000173027_100009813401 [1,0,0,1,0,0|1,0,1]=4 3331 B21R3.2849 CCOc1ccc(cc1)NN=C2Cc3c2cccc3 4a_100000738955_100000051409 [1,0,0,1,0,0|1,0,1]=4 3332 B21R3.7751 CCOc1ccc(cc1)c2nccc3c2cccc3 271570a_100011215908_100011934041 [1,0,0,1,0,0|0,0,2]=4 3333 B21R3.7751 CCOc1ccc(cc1)c2ncnc3c2cccc3 271570a_100011215908_100000217608 [1,0,0,1,0,0|1,0,1]=4 3334 B21R3.7776 CCOc1ccc(cc1)NC2CCc3c2cccc3 2230a_100000739623_200000721974 [1,0,0,1,0,0|2,0,0]=4 3335 B21R3.47737 C(=NNCc1ccccc1)c2ccc(cc2)C3CC3 4a_100000007032_100011263248 [1,0,0,1,0,0|2,0,0]=4 3336 B21R3.47810 C(=NNCc1ccccc1)c2ccc3c(c2)CCC3 4a_100000007032_100000765347 [1,0,0,1,0,0|2,0,0]=4 3337 B21R3.47810 C(=NNCc1ccccc1)c2ccc3c(c2)CCO3 4a_100000007032_100011218456 [1,0,0,1,0,0|1,0,0]=3 3338 B21R3.47810 C(=NNCc1ccccn1)c2ccc3c(c2)CCO3 4a_100000736832_100011218456 [1,0,0,1,0,0|2,0,0]=4 3339 B21R3.47810 C(=NNCc1cccnc1)c2ccc3c(c2)CCO3 4a_100000738295_100011218456 [1,0,0,1,0,0|2,0,0]=4 3340 B21R3.47810 C(=NNCc1ccncc1)c2ccc3c(c2)CCO3 4a_100000736929_100011218456 [1,0,0,1,0,0|2,0,0]=4 3341 B21R3.47810 c1ccc(cc1)CCCNc2ccc3c(c2)CCO3 2230a_100000736984_100000211621 [1,0,0,1,0,0|2,0,0]=4 3342 B21R3.47810 c1ccc(cc1)CCCNc2ccc3c(c2)CCO3 34a_100000736984_100000211621 [1,0,0,1,0,0|2,0,0]=4 3343 B21R3.47810 c1ccc(cc1)CCCSc2ccc3c(c2)CCO3 62a_100000211621_100000729065 [1,0,0,1,0,0|2,0,0]=4 3344 B21R3.47810 c1ccc(cc1)CCCSc2ccc3c(c2)CCO3 62a_100000729065_100000211621 [1,0,0,1,0,0|2,0,0]=4 3345 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 207a_100000106460_100011218456 [1,0,0,1,0,0|0,0,2]=4 3346 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 2230a_100011219410_100000765856 [1,0,0,1,0,0|0,0,2]=4 3347 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 270004a_100000106460_100011218456 [1,0,0,1,0,0|0,0,2]=4 3348 B21R3.47810 c1ccc(cc1)CCNCc2ccc3c(c2)CCO3 34a_100011219410_100000765856 [1,0,0,1,0,0|0,0,2]=4 3349 B21R3.47810 c1ccc(cc1)CCOCc2ccc3c(c2)CCO3 34a_100011219353_100000765856 [1,0,0,1,0,0|1,0,1]=4 3350 B21R3.47810 c1ccc(cc1)CCOCc2ccc3c(c2)CCO3 7a_100011219353_100000765856 [1,0,0,1,0,0|1,0,1]=4 3351 B21R3.41536 CC(CNc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000736984_100000756946 [0,0,0,1,1,0|1,0,1]=4 3352 B21R3.41536 CC(CNc1ccc2c(c1)CCO2)c3ccccc3 34a_100000736984_100000756946 [0,0,0,1,1,0|1,0,1]=4 3353 B21R3.41536 CC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729065_100000756946 [0,0,0,1,1,0|2,0,0]=4 3354 B21R3.41536 CC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000756946_100000729065 [0,0,0,1,1,0|2,0,0]=4 3355 B21R3.41536 OC(CNc1ccc2c(c1)CCC2)c3ccccc3 2230a_100000211504_100000185958 [0,0,0,1,1,0|1,0,1]=4 3356 B21R3.41536 OC(CNc1ccc2c(c1)CCC2)c3ccccc3 34a_100000211504_100000185958 [0,0,0,1,1,0|1,0,1]=4 3357 B21R3.41536 OC(CNc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000736984_100000185958 [0,0,0,1,1,0|0,0,1]=3 3358 B21R3.41536 OC(CNc1ccc2c(c1)CCO2)c3ccccc3 34a_100000736984_100000185958 [0,0,0,1,1,0|0,0,1]=3 3359 B21R3.41536 OC(CNc1ccc2c(c1)OCO2)c3ccccc3 2230a_100000209953_100000185958 [0,0,0,1,1,0|1,0,1]=4 3360 B21R3.41536 OC(CNc1ccc2c(c1)OCO2)c3ccccc3 34a_100000209953_100000185958 [0,0,0,1,1,0|1,0,1]=4 3361 B21R3.41536 OC(COc1ccc2c(c1)CCC2)c3ccccc3 34a_100000209987_100000185958 [0,0,0,1,1,0|2,0,0]=4 3362 B21R3.41536 OC(COc1ccc2c(c1)CCC2)c3ccccc3 7a_100000209987_100000185958 [0,0,0,1,1,0|2,0,0]=4 3363 B21R3.41536 OC(COc1ccc2c(c1)CCN2)c3ccccc3 34a_100020636429_100000185958 [0,0,0,1,1,0|2,0,0]=4 3364 B21R3.41536 OC(COc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210298_100000185958 [0,0,0,1,1,0|2,0,0]=4 3365 B21R3.41536 OC(CSc1cc2c(cn1)OCC2)c3ccccc3 62a_100000185958_102495363667 [0,0,0,1,1,0|2,0,0]=4 3366 B21R3.41536 OC(CSc1cc2c(cn1)OCC2)c3ccccc3 62a_102495363667_100000185958 [0,0,0,1,1,0|2,0,0]=4 3367 B21R3.41536 OC(CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000185958_100000745594 [0,0,0,1,1,0|2,0,0]=4 3368 B21R3.41536 OC(CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000745594_100000185958 [0,0,0,1,1,0|2,0,0]=4 3369 B21R3.41536 OC(CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000185958_100000691068 [0,0,0,1,1,0|2,0,0]=4 3370 B21R3.41536 OC(CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000691068_100000185958 [0,0,0,1,1,0|2,0,0]=4 3371 B21R3.41536 OC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000185958_100000729065 [0,0,0,1,1,0|1,0,0]=3 3372 B21R3.41536 OC(CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729065_100000185958 [0,0,0,1,1,0|1,0,0]=3 3373 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCC2)c3ccccc3 2230a_100000211504_100011933945 [0,0,0,1,1,0|1,0,1]=4 3374 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCC2)c3ccccc3 34a_100000211504_100011933945 [0,0,0,1,1,0|1,0,1]=4 3375 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000736984_100011933945 [0,0,0,1,1,0|0,0,1]=3 3376 B21R3.41536 O[C@H](CNc1ccc2c(c1)CCO2)c3ccccc3 34a_100000736984_100011933945 [0,0,0,1,1,0|0,0,1]=3 3377 B21R3.41536 O[C@H](CNc1ccc2c(c1)OCO2)c3ccccc3 2230a_100000209953_100011933945 [0,0,0,1,1,0|1,0,1]=4 3378 B21R3.41536 O[C@H](CNc1ccc2c(c1)OCO2)c3ccccc3 34a_100000209953_100011933945 [0,0,0,1,1,0|1,0,1]=4 3379 B21R3.41536 O[C@H](COc1ccc2c(c1)CCC2)c3ccccc3 34a_100000209987_100011933945 [0,0,0,1,1,0|2,0,0]=4 3380 B21R3.41536 O[C@H](COc1ccc2c(c1)CCC2)c3ccccc3 7a_100000209987_100011933945 [0,0,0,1,1,0|2,0,0]=4 3381 B21R3.41536 O[C@H](COc1ccc2c(c1)CCN2)c3ccccc3 34a_100020636429_100011933945 [0,0,0,1,1,0|2,0,0]=4 3382 B21R3.41536 O[C@H](COc1ccc2c(c1)OCO2)c3ccccc3 34a_100000210298_100011933945 [0,0,0,1,1,0|2,0,0]=4 3383 B21R3.41536 O[C@H](CSc1cc2c(cn1)OCC2)c3ccccc3 62a_100011933945_102495363667 [0,0,0,1,1,0|2,0,0]=4 3384 B21R3.41536 O[C@H](CSc1cc2c(cn1)OCC2)c3ccccc3 62a_102495363667_100011933945 [0,0,0,1,1,0|2,0,0]=4 3385 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100000745594_100011933945 [0,0,0,1,1,0|2,0,0]=4 3386 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCC2)c3ccccc3 62a_100011933945_100000745594 [0,0,0,1,1,0|2,0,0]=4 3387 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100000691068_100011933945 [0,0,0,1,1,0|2,0,0]=4 3388 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCN2)c3ccccc3 62a_100011933945_100000691068 [0,0,0,1,1,0|2,0,0]=4 3389 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100000729065_100011933945 [0,0,0,1,1,0|1,0,0]=3 3390 B21R3.41536 O[C@H](CSc1ccc2c(c1)CCO2)c3ccccc3 62a_100011933945_100000729065 [0,0,0,1,1,0|1,0,0]=3 3391 B21R3.44140 CCOc1ccc(cc1)c2nn(c3c2cccc3)C 271570a_100010171893_100000169946 [0,0,0,1,1,0|2,0,0]=4 3392 B21R3.44140 CCOc1ccc(cc1)c2nn(c3c2cccc3)C 271570a_100011215908_100009817141 [0,0,0,1,1,0|2,0,0]=4 3393 B21R3.3575059 OC(CNc1ccc(cc1)C2CC2)c3ccccc3 34a_100016991203_100000185958 [0,0,0,1,1,0|1,0,1]=4 3394 B21R3.3575059 OC(COc1ccc(cc1)C2CC2)c3ccccc3 34a_100011997980_100000185958 [0,0,0,1,1,0|2,0,0]=4 3395 B21R3.3575059 OC(COc1ccc(cc1)C2CC2)c3ccccc3 7a_100011997980_100000185958 [0,0,0,1,1,0|2,0,0]=4 3396 B21R3.3575059 OC(CSc1ccc(cc1)C2CC2)c3ccccc3 62a_100000185958_100009820665 [0,0,0,1,1,0|2,0,0]=4 3397 B21R3.3575059 O[C@H](CNc1ccc(cc1)C2CC2)c3ccccc3 34a_100016991203_100011933945 [0,0,0,1,1,0|1,0,1]=4 3398 B21R3.3575059 O[C@H](COc1ccc(cc1)C2CC2)c3ccccc3 34a_100011997980_100011933945 [0,0,0,1,1,0|2,0,0]=4 3399 B21R3.3575059 O[C@H](COc1ccc(cc1)C2CC2)c3ccccc3 7a_100011997980_100011933945 [0,0,0,1,1,0|2,0,0]=4 3400 B21R3.3575059 O[C@H](CSc1ccc(cc1)C2CC2)c3ccccc3 62a_100011933945_100009820665 [0,0,0,1,1,0|2,0,0]=4 3401 B23R3.15967 CCOc1ccc(cc1)Nc2ncc(o2)c3ccccc3 27a_100000739623_100000729704 [0,0,0,1,0,1|0,0,2]=4 3402 B23R3.15967 CCOc1ccc(cc1)Nc2nnc(o2)c3ccccc3 27a_100000739623_100000240041 [0,0,0,1,0,1|1,0,1]=4 3403 B23R3.129823 CCOc1ccc(cc1)NN=C2CC(C2)c3ccccc3 4a_100000738955_100000741317 [0,0,0,1,0,1|2,0,0]=4 3404 B23R3.938223 OC(CCNCc1ccc2c(c1)CCO2)c3ccccc3 207a_100000763605_100011218456 [0,0,0,1,0,1|0,0,2]=4 3405 B23R3.938223 OC(CCNCc1ccc2c(c1)CCO2)c3ccccc3 270004a_100000763605_100011218456 [0,0,0,1,0,1|0,0,2]=4 3406 B23R3.938223 OC(CNCCc1ccc2c(c1)CCO2)c3ccccc3 2230a_100000210709_100000763274 [0,0,0,1,0,1|0,0,2]=4 3407 B23R3.938223 OC(COCCc1ccc2c(c1)CCO2)c3ccccc3 34a_100012161074_100000185958 [0,0,0,1,0,1|1,0,1]=4 3408 B23R3.938223 OC(COCCc1ccc2c(c1)CCO2)c3ccccc3 7a_100012161074_100000185958 [0,0,0,1,0,1|1,0,1]=4 3409 B23R3.938223 OC(CSCCc1ccc2c(c1)CCO2)c3ccccc3 62a_100000185958_100000763274 [0,0,0,1,0,1|1,0,1]=4 3410 B23R3.938223 OC(CSCCc1ccc2c(c1)CCO2)c3ccccc3 62a_100000763274_100000185958 [0,0,0,1,0,1|1,0,1]=4 3411 B23R3.938223 O[C@H](CCNCc1ccc2c(c1)CCO2)c3ccccc3 2230a_100011219410_100000729684 [0,0,0,1,0,1|0,0,2]=4 3412 B23R3.938223 O[C@H](CCNCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219410_100000729684 [0,0,0,1,0,1|0,0,2]=4 3413 B23R3.938223 O[C@H](CCOCc1ccc2c(c1)CCO2)c3ccccc3 34a_100011219353_100000729684 [0,0,0,1,0,1|1,0,1]=4 3414 B23R3.938223 O[C@H](CCOCc1ccc2c(c1)CCO2)c3ccccc3 7a_100011219353_100000729684 [0,0,0,1,0,1|1,0,1]=4 3415 B23R3.938223 O[C@H](COCCc1ccc2c(c1)CCO2)c3ccccc3 34a_100012161074_100011933945 [0,0,0,1,0,1|1,0,1]=4 3416 B23R3.938223 O[C@H](COCCc1ccc2c(c1)CCO2)c3ccccc3 7a_100012161074_100011933945 [0,0,0,1,0,1|1,0,1]=4 3417 B23R3.938223 O[C@H](CSCCc1ccc2c(c1)CCO2)c3ccccc3 62a_100000763274_100011933945 [0,0,0,1,0,1|1,0,1]=4 3418 B23R3.938223 O[C@H](CSCCc1ccc2c(c1)CCO2)c3ccccc3 62a_100011933945_100000763274 [0,0,0,1,0,1|1,0,1]=4 3419 B23R3.7851978 CCOc1ccc(cc1)NN=C2CC(c3c2cccc3)C 4a_100000738955_100000750356 [0,0,0,1,0,1|2,0,0]=4 3420 B23R3.938315 OC(CNCc1ccc2c(c1)CCO2)Cc3ccccc3 207a_100000752270_100011218456 [0,0,0,1,0,1|0,0,2]=4 3421 B23R3.938315 OC(CNCc1ccc2c(c1)CCO2)Cc3ccccc3 270004a_100000752270_100011218456 [0,0,0,1,0,1|0,0,2]=4 3422 B23R3.938315 O[C@H](CNCc1ccc2c(c1)CCO2)Cc3ccccc3 2230a_100011219410_100000729385 [0,0,0,1,0,1|0,0,2]=4 3423 B23R3.938315 O[C@H](CNCc1ccc2c(c1)CCO2)Cc3ccccc3 34a_100011219410_100000729385 [0,0,0,1,0,1|0,0,2]=4 3424 B23R3.938315 O[C@H](COCc1ccc2c(c1)CCO2)Cc3ccccc3 34a_100011219353_100000729385 [0,0,0,1,0,1|1,0,1]=4 3425 B23R3.938315 O[C@H](COCc1ccc2c(c1)CCO2)Cc3ccccc3 7a_100011219353_100000729385 [0,0,0,1,0,1|1,0,1]=4 3426 B23R3.1965017 CCOc1ccc(cc1)C=NNc2nc3ccccc3o2 4a_100000182307_100000169836 [0,0,0,1,0,1|1,0,1]=4 3427 B23R3.1965017 CCOc1ccc(cc1)CNCC2Cc3ccccc3O2 207a_100015207006_100000169836 [0,0,0,1,0,1|0,0,2]=4 3428 B23R3.1965017 CCOc1ccc(cc1)CNCC2Cc3ccccc3O2 270004a_100015207006_100000169836 [0,0,0,1,0,1|0,0,2]=4 3429 B23R3.7856118 CCOc1ccc(cc1)CN[C@H]2c3ccccc3C[C@H]2O 207a_100000744645_100000169836 [0,0,0,1,0,1|0,0,2]=4 3430 B23R3.7856118 CCOc1ccc(cc1)CN[C@H]2c3ccccc3C[C@H]2O 270004a_100000744645_100000169836 [0,0,0,1,0,1|0,0,2]=4 3431 B23R3.1963810 CCOc1ccc(cc1)CN2CC(C2)(O)c3ccccc3 270004a_100000717221_100000169836 [0,1,0,1,0,0|0,0,2]=4 3432 B23R3.8184258 CC(O)(CNCc1ccc2c(c1)CCO2)c3ccccc3 207a_100011660926_100011218456 [0,1,0,1,0,0|0,0,2]=4 3433 B23R3.8184258 CC(O)(CNCc1ccc2c(c1)CCO2)c3ccccc3 270004a_100011660926_100011218456 [0,1,0,1,0,0|0,0,2]=4 3434 B23R3.207 CCOc1ccc(cc1)C2=CCC(CC2)c3ccccc3 271570a_100010240226_100000169946 [0,1,0,1,0,0|2,0,0]=4 3435 B23R3.3673183 CCOc1ccc(cc1)c2ncc(c3c2cccc3)OC 271570a_100011215908_100009847308 [0,1,0,1,0,0|0,0,2]=4 3436 B23R3.17865689 Oc1cccc(c1)C(O)CNCc2ccc3c(c2)CCO3 270004a_100020657549_100011218456 [0,1,0,1,0,0|0,0,2]=4 3437 B23R3.128166 CCOc1ccc(cc1)C(=O)N[C@H]2C[C@@H]2c3ccccc3 11a_100020588832_100000181891 [0,1,0,1,0,0|1,0,1]=4 3438 B23R3.128166 CCOc1ccc(cc1)C(=O)N[C@H]2C[C@@H]2c3ccccc3 1626a_100020588832_100000181891 [0,1,0,1,0,0|1,0,1]=4 3439 B23R3.128166 CCOc1ccc(cc1)C(=O)N[C@H]2C[C@@H]2c3ccccc3 240690a_100020588832_100000181891 [0,1,0,1,0,0|1,0,1]=4 3440 B23R3.128166 CCOc1ccc(cc1)C(=O)N[C@H]2C[C@@H]2c3ccccc3 527a_100020588832_100000181891 [0,1,0,1,0,0|1,0,1]=4 3441 B23R3.938154 CC(CNC(=O)c1ccc2c(c1)CCO2)c3ccccc3 11a_100000701038_100011207309 [0,1,0,1,0,0|1,0,1]=4 3442 B23R3.938154 CC(CNC(=O)c1ccc2c(c1)CCO2)c3ccccc3 1626a_100000701038_100011207309 [0,1,0,1,0,0|1,0,1]=4 3443 B23R3.938154 CC(CNC(=O)c1ccc2c(c1)CCO2)c3ccccc3 240690a_100000701038_100011207309 [0,1,0,1,0,0|1,0,1]=4 3444 B23R3.938154 CC(CNC(=O)c1ccc2c(c1)CCO2)c3ccccc3 527a_100000701038_100011207309 [0,1,0,1,0,0|1,0,1]=4 3445 B23R3.938154 CC(NCC(O)c1ccccc1)c2ccc3c(c2)CCO3 2230a_100159266031_100000185958 [0,1,0,1,0,0|0,0,2]=4 3446 B23R3.938154 CC(NCC(O)c1ccccc1)c2ccc3c(c2)CCO3 269862a_100000210709_100000241315 [0,1,0,1,0,0|0,0,2]=4 3447 B23R3.938154 CC(NCC(O)c1ccccc1)c2ccc3c(c2)CCO3 34a_100159266031_100000185958 [0,1,0,1,0,0|0,0,2]=4 3448 B23R3.938154 CC(NC[C@@H](O)c1ccccc1)c2ccc3c(c2)CCO3 2230a_100159266031_100011933945 [0,1,0,1,0,0|0,0,2]=4 3449 B23R3.938154 CC(NC[C@@H](O)c1ccccc1)c2ccc3c(c2)CCO3 34a_100159266031_100011933945 [0,1,0,1,0,0|0,0,2]=4 3450 B23R3.938154 O=C(CC[C@@H](O)c1ccccc1)c2ccc3c(c2)CCC3 1458a_100000195560_100000729684 [0,1,0,1,0,0|2,0,0]=4 3451 B23R3.938154 O=C(CC[C@@H](O)c1ccccc1)c2ccc3c(c2)CCO3 1458a_100011207309_100000729684 [0,1,0,1,0,0|1,0,0]=3 3452 B23R3.938154 O=C(CC[C@@H](O)c1ccccc1)c2ccc3c(c2)OCO3 1458a_100000210863_100000729684 [0,1,0,1,0,0|2,0,0]=4 3453 B23R3.938154 O=C(NCC(O)c1ccccc1)c2ccc3c(c2)CCC3 240690a_100000210709_100000195560 [0,1,0,1,0,0|1,0,1]=4 3454 B23R3.938154 O=C(NCC(O)c1ccccc1)c2ccc3c(c2)CCC3 527a_100000210709_100000195560 [0,1,0,1,0,0|1,0,1]=4 3455 B23R3.938154 O=C(NCC(O)c1ccccc1)c2ccc3c(c2)CCO3 240690a_100000210709_100011207309 [0,1,0,1,0,0|0,0,1]=3 3456 B23R3.938154 O=C(NCC(O)c1ccccc1)c2ccc3c(c2)CCO3 527a_100000210709_100011207309 [0,1,0,1,0,0|0,0,1]=3 3457 B23R3.938154 O=C(NCC(O)c1ccccc1)c2ccc3c(c2)OCO3 240690a_100000210709_100000210863 [0,1,0,1,0,0|1,0,1]=4 3458 B23R3.938154 O=C(NCC(O)c1ccccc1)c2ccc3c(c2)OCO3 527a_100000210709_100000210863 [0,1,0,1,0,0|1,0,1]=4 3459 B23R3.938154 O=C(NCC(O)c1ccccn1)c2ccc3c(c2)CCO3 240690a_100000691469_100011207309 [0,1,0,1,0,0|1,0,1]=4 3460 B23R3.938154 O=C(NCC(O)c1ccccn1)c2ccc3c(c2)CCO3 527a_100000691469_100011207309 [0,1,0,1,0,0|1,0,1]=4 3461 B23R3.938154 O=C(NCC(O)c1cccnc1)c2ccc3c(c2)CCO3 240690a_100020605170_100011207309 [0,1,0,1,0,0|1,0,1]=4 3462 B23R3.938154 O=C(NCC(O)c1cccnc1)c2ccc3c(c2)CCO3 527a_100020605170_100011207309 [0,1,0,1,0,0|1,0,1]=4 3463 B23R3.19444394 O=C(CC[C@@H](O)c1ccccc1)c2ccc(cc2)C3CC3 1458a_100011688853_100000729684 [0,1,0,1,0,0|2,0,0]=4 3464 B23R3.19444394 O=C(NCC(O)c1ccccc1)c2ccc(cc2)C3CC3 240690a_100000210709_100011688853 [0,1,0,1,0,0|1,0,1]=4 3465 B23R3.19444394 O=C(NCC(O)c1ccccc1)c2ccc(cc2)C3CC3 527a_100000210709_100011688853 [0,1,0,1,0,0|1,0,1]=4 3466 B23R3.1339342 Cc1ccc(cc1)C(O)CNCc2ccc3c(c2)CCO3 207a_200020610344_100011218456 [0,1,0,1,0,0|0,0,2]=4 3467 B23R3.1339342 Cc1ccc(cc1)C(O)CNCc2ccc3c(c2)CCO3 270004a_200020610344_100011218456 [0,1,0,1,0,0|0,0,2]=4 3468 B23R3.1339342 OC(CNCc1ccc2c(c1)CCO2)c3ccc(cc3)Br 207a_100020626992_100011218456 [0,1,0,1,0,0|0,0,2]=4 3469 B23R3.1339342 OC(CNCc1ccc2c(c1)CCO2)c3ccc(cc3)Br 270004a_100020626992_100011218456 [0,1,0,1,0,0|0,0,2]=4 3470 B23R3.1339342 OC(CNCc1ccc2c(c1)CCO2)c3ccc(cc3)Cl 207a_100000736658_100011218456 [0,1,0,1,0,0|0,0,2]=4 3471 B23R3.1339342 OC(CNCc1ccc2c(c1)CCO2)c3ccc(cc3)Cl 2230a_100011219410_200011996143 [0,1,0,1,0,0|0,0,2]=4 3472 B23R3.1339342 OC(CNCc1ccc2c(c1)CCO2)c3ccc(cc3)Cl 270004a_100000736658_100011218456 [0,1,0,1,0,0|0,0,2]=4 3473 B23R3.1339342 OC(CNCc1ccc2c(c1)CCO2)c3ccc(cc3)Cl 34a_100011219410_200011996143 [0,1,0,1,0,0|0,0,2]=4 3474 B23R3.1339342 OC(COCc1ccc2c(c1)CCO2)c3ccc(cc3)Cl 34a_100011219353_200011996143 [0,1,0,1,0,0|1,0,1]=4 3475 B23R3.1339342 OC(COCc1ccc2c(c1)CCO2)c3ccc(cc3)Cl 7a_100011219353_200011996143 [0,1,0,1,0,0|1,0,1]=4 3476 B23R3.1339342 O[C@@H](CNCc1ccc2c(c1)CCO2)c3ccc(cc3)F 2230a_100011219410_100000720402 [0,1,0,1,0,0|0,0,2]=4 3477 B23R3.1339342 O[C@@H](CNCc1ccc2c(c1)CCO2)c3ccc(cc3)F 34a_100011219410_100000720402 [0,1,0,1,0,0|0,0,2]=4 3478 B23R3.1339342 O[C@@H](COCc1ccc2c(c1)CCO2)c3ccc(cc3)F 34a_100011219353_100000720402 [0,1,0,1,0,0|1,0,1]=4 3479 B23R3.1339342 O[C@@H](COCc1ccc2c(c1)CCO2)c3ccc(cc3)F 7a_100011219353_100000720402 [0,1,0,1,0,0|1,0,1]=4 3480 B23R3.135 CCCOc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100011216076_100000729704 [0,1,0,1,0,0|0,0,2]=4 3481 B23R3.135 CCOCc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_200011236305_100000729704 [0,1,0,1,0,0|0,0,2]=4 3482 B23R3.135 COCOc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100011996819_100000729704 [0,1,0,1,0,0|0,0,2]=4 3483 B23R3.135 FCCOc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_200010198693_100000729704 [0,1,0,1,0,0|0,0,2]=4 3484 B23R3.135 OCCOc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100010369067_100000729704 [0,1,0,1,0,0|0,0,2]=4 3485 B23R3.51014 OC(CNCc1ccc2c(c1)CCCO2)c3ccccc3 207a_100000210709_100011934692 [0,1,0,1,0,0|0,0,2]=4 3486 B23R3.51014 OC(CNCc1ccc2c(c1)CCCO2)c3ccccc3 270004a_100000210709_100011934692 [0,1,0,1,0,0|0,0,2]=4 3487 B23R3.51014 OC(CNCc1ccc2c(c1)OCCO2)c3ccccc3 207a_100000210709_100000184955 [0,1,0,1,0,0|0,0,2]=4 3488 B23R3.51014 OC(CNCc1ccc2c(c1)OCCO2)c3ccccc3 2230a_100000684186_100000185958 [0,1,0,1,0,0|0,0,2]=4 3489 B23R3.51014 OC(CNCc1ccc2c(c1)OCCO2)c3ccccc3 270004a_100000210709_100000184955 [0,1,0,1,0,0|0,0,2]=4 3490 B23R3.51014 OC(CNCc1ccc2c(c1)OCCO2)c3ccccc3 34a_100000684186_100000185958 [0,1,0,1,0,0|0,0,2]=4 3491 B23R3.51014 OC(COCc1ccc2c(c1)OCCO2)c3ccccc3 34a_100000745213_100000185958 [0,1,0,1,0,0|1,0,1]=4 3492 B23R3.51014 O[C@H](CCNc1ccc2c(c1)CCCO2)c3ccccc3 2230a_100138412508_100000729684 [0,1,0,1,0,0|2,0,0]=4 3493 B23R3.51014 O[C@H](CCNc1ccc2c(c1)CCCO2)c3ccccc3 34a_100138412508_100000729684 [0,1,0,1,0,0|2,0,0]=4 3494 B23R3.51014 O[C@H](CCNc1ccc2c(c1)OCCO2)c3ccccc3 2230a_100020630400_100000729684 [0,1,0,1,0,0|2,0,0]=4 3495 B23R3.51014 O[C@H](CCNc1ccc2c(c1)OCCO2)c3ccccc3 34a_100020630400_100000729684 [0,1,0,1,0,0|2,0,0]=4 3496 B23R3.51014 O[C@H](CCOc1ccc2c(c1)CCOC2)c3ccccc3 34a_100009841951_100000729684 [0,1,0,1,0,0|2,0,0]=4 3497 B23R3.51014 O[C@H](CCOc1ccc2c(c1)CCOC2)c3ccccc3 7a_100009841951_100000729684 [0,1,0,1,0,0|2,0,0]=4 3498 B23R3.51014 O[C@H](CCOc1ccc2c(c1)NCCO2)c3ccccc3 34a_100020636358_100000729684 [0,1,0,1,0,0|2,0,0]=4 3499 B23R3.51014 O[C@H](CCOc1ccc2c(c1)OCCO2)c3ccccc3 34a_100000234341_100000729684 [0,1,0,1,0,0|2,0,0]=4 3500 B23R3.51014 O[C@H](CCSc1ccc2c(c1)CCCO2)c3ccccc3 62a_100000729684_100011393166 [0,1,0,1,0,0|2,0,0]=4 3501 B23R3.51014 O[C@H](CCSc1ccc2c(c1)CCCO2)c3ccccc3 62a_100011393166_100000729684 [0,1,0,1,0,0|2,0,0]=4 3502 B23R3.51014 O[C@H](CCSc1ccc2c(c1)NCCO2)c3ccccc3 62a_100000729684_100000708519 [0,1,0,1,0,0|2,0,0]=4 3503 B23R3.51014 O[C@H](CCSc1ccc2c(c1)OCCO2)c3ccccc3 62a_100000729684_100011216881 [0,1,0,1,0,0|2,0,0]=4 3504 B23R3.51014 O[C@H](CCSc1ccc2c(c1)OCCO2)c3ccccc3 62a_100011216881_100000729684 [0,1,0,1,0,0|2,0,0]=4 3505 B23R3.51014 O[C@H](CNCc1ccc2c(c1)OCCO2)c3ccccc3 2230a_100000684186_100011933945 [0,1,0,1,0,0|0,0,2]=4 3506 B23R3.51014 O[C@H](CNCc1ccc2c(c1)OCCO2)c3ccccc3 34a_100000684186_100011933945 [0,1,0,1,0,0|0,0,2]=4 3507 B23R3.51014 O[C@H](COCc1ccc2c(c1)OCCO2)c3ccccc3 34a_100000745213_100011933945 [0,1,0,1,0,0|1,0,1]=4 3508 B23R3.940161 O[C@H](CCSc1ccc(cc1)OC2CC2)c3ccccc3 62a_100000704264_100000729684 [0,1,0,1,0,0|2,0,0]=4 3509 B23R3.940161 O[C@H](CCSc1ccc(cc1)OC2CC2)c3ccccc3 62a_100000729684_100000704264 [0,1,0,1,0,0|2,0,0]=4 3510 B23R3.7458633 CCCOc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100011216076_100000067196 [0,1,0,1,0,0|0,0,2]=4 3511 B23R3.7458633 CCOCc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_200011236305_100000067196 [0,1,0,1,0,0|0,0,2]=4 3512 B23R3.7458633 COCOc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100011996819_100000067196 [0,1,0,1,0,0|0,0,2]=4 3513 B23R3.7458633 OCCOc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100010369067_100000067196 [0,1,0,1,0,0|0,0,2]=4 3514 B23R3.7458633 Oc1cnc(c2c1cccc2)c3ccc(cc3)OCCF 271570a_200010198693_100000067196 [0,1,0,1,0,0|0,0,2]=4 3515 B23R3.1745 CC(C)Oc1ccc(cc1)c2ncc(o2)c3ccccc3 271570a_100000734448_100000729704 [0,1,0,1,0,0|0,0,2]=4 3516 B23R3.38401 CC1Cc2cc(ccc2O1)NCC[C@@H](O)c3ccccc3 2230a_100102713350_100000729684 [0,1,0,1,0,0|2,0,0]=4 3517 B23R3.38401 CC1Cc2cc(ccc2O1)NCC[C@@H](O)c3ccccc3 34a_100102713350_100000729684 [0,1,0,1,0,0|2,0,0]=4 3518 B23R3.740208 CC(C)Oc1ccc(cc1)c2ncc(c3c2cccc3)O 271570a_100000734448_100000067196 [0,1,0,1,0,0|0,0,2]=4 3519 B23R3.3843 CCOc1ccc(cc1)CNC2Cc3ccccc3C2O 2230a_100000185588_100000211646 [0,1,0,1,0,0|0,0,2]=4 3520 B23R3.3843 CCOc1ccc(cc1)CNC2Cc3ccccc3C2O 34a_100000185588_100000211646 [0,1,0,1,0,0|0,0,2]=4 3521 B23R3.3843 CCOc1ccc(cc1)COC2Cc3ccccc3C2O 34a_100000173027_100000211646 [0,1,0,1,0,0|1,0,1]=4 3522 B23R3.665641 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3Br 207a_100011236429_100011218456 [0,1,0,1,0,0|0,0,2]=4 3523 B23R3.665641 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3Br 270004a_100011236429_100011218456 [0,1,0,1,0,0|0,0,2]=4 3524 B23R3.665641 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3Cl 207a_200000759403_100011218456 [0,1,0,1,0,0|0,0,2]=4 3525 B23R3.665641 OC(CNCc1ccc2c(c1)CCO2)c3ccccc3Cl 270004a_200000759403_100011218456 [0,1,0,1,0,0|0,0,2]=4 3526 B23R3.15916 CCOc1ccc(cc1C)c2ncc(o2)c3ccccc3 271570a_100011356792_100000729704 [0,1,0,1,0,0|0,0,2]=4 3527 B23R3.15916 CCOc1ccc(cc1Cl)c2ncc(o2)c3ccccc3 271570a_100000041897_100000729704 [0,1,0,1,0,0|0,0,2]=4 3528 B23R3.15916 CCOc1ccc(cc1F)c2ncc(o2)c3ccccc3 271570a_100011220056_100000729704 [0,1,0,1,0,0|0,0,2]=4 3529 B23R3.761271 OC(CNCc1cc(c2c(c1)CCO2)Br)c3ccccc3 207a_100000210709_100009816904 [0,1,0,1,0,0|0,0,2]=4 3530 B23R3.761271 OC(CNCc1cc(c2c(c1)CCO2)Br)c3ccccc3 270004a_100000210709_100009816904 [0,1,0,1,0,0|0,0,2]=4 3531 B23R3.72673115 CCOc1ccc(cc1C)c2ncc(c3c2cccc3)O 271570a_100011356792_100000067196 [0,1,0,1,0,0|0,0,2]=4 3532 B23R3.72673115 CCOc1ccc(cc1Cl)c2ncc(c3c2cccc3)O 271570a_100000041897_100000067196 [0,1,0,1,0,0|0,0,2]=4 3533 B23R3.72673115 CCOc1ccc(cc1F)c2ncc(c3c2cccc3)O 271570a_100011220056_100000067196 [0,1,0,1,0,0|0,0,2]=4 3534 B23R3.940707 CN(Cc1ccc2c(c1)CCO2)CC(O)c3ccccc3 270004a_100000227976_100011218456 [0,1,0,1,0,0|0,0,2]=4 3535 B23R3.940707 O=C(CC(O)c1ccccc1)Nc2ccc3c(c2)CCO3 22a_100000736984_100000690199 [0,1,0,1,0,0|2,0,0]=4 3536 B23R3.940707 O=C(Cc1ccc2c(c1)CCO2)CC(O)c3ccccc3 1458a_100000242752_100000185958 [0,1,0,1,0,0|1,0,1]=4 3537 B23R3.940707 O=C(Cc1ccc2c(c1)CCO2)C[C@@H](O)c3ccccc3 1458a_100000242752_100011933945 [0,1,0,1,0,0|1,0,1]=4 3538 B23R3.53961 CCOc1ccc(c(c1)C)c2ncc(o2)c3ccccc3 271570a_100011356808_100000729704 [0,1,0,1,0,0|0,0,2]=4 3539 B23R3.53961 CCOc1ccc(c(c1)Cl)c2ncc(o2)c3ccccc3 271570a_100000043668_100000729704 [0,1,0,1,0,0|0,0,2]=4 3540 B23R3.53961 CCOc1ccc(c(c1)F)c2ncc(o2)c3ccccc3 271570a_100011999371_100000729704 [0,1,0,1,0,0|0,0,2]=4 3541 B23R3.159401856 CCOc1ccc(c(c1)C)c2ncc(c3c2cccc3)O 271570a_100011356808_100000067196 [0,1,0,1,0,0|0,0,2]=4 3542 B23R3.159401856 CCOc1ccc(c(c1)Cl)c2ncc(c3c2cccc3)O 271570a_100000043668_100000067196 [0,1,0,1,0,0|0,0,2]=4 3543 B23R3.159401856 CCOc1ccc(c(c1)F)c2ncc(c3c2cccc3)O 271570a_100011999371_100000067196 [0,1,0,1,0,0|0,0,2]=4 3544 B23R4.5445 c1ccc(cc1)c2cnc(o2)c3ccc4c(c3)CCO4 271570a_100011216065_100000729704 [0,0,0,2,0,0|0,0,2]=4 3545 B23R4.2829111 Oc1cnc(c2c1cccc2)c3ccc4c(c3)CCO4 271570a_100011216065_100000067196 [0,0,0,2,0,0|0,0,2]=4 3546 B19R2.79 CCc1ccc(cc1)NCC(C)c2ccccc2 2230a_100000211069_100000756946 [1,0,0,0,1,0|1,0,1]=4 3547 B19R2.79 CCc1ccc(cc1)NCC(C)c2ccccc2 34a_100000211069_100000756946 [1,0,0,0,1,0|1,0,1]=4 3548 B19R2.79 CCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000211069_100000185958 [1,0,0,0,1,0|0,0,1]=3 3549 B19R2.79 CCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000211069_100000185958 [1,0,0,0,1,0|0,0,1]=3 3550 B19R2.79 CCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000211069_100011933945 [1,0,0,0,1,0|0,0,1]=3 3551 B19R2.79 CCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000211069_100011933945 [1,0,0,0,1,0|0,0,1]=3 3552 B19R2.79 CCc1ccc(cc1)OCC(C)c2ccccc2 34a_100000211359_100000756946 [1,0,0,0,1,0|2,0,0]=4 3553 B19R2.79 CCc1ccc(cc1)OCC(C)c2ccccc2 7a_100000211359_100000756946 [1,0,0,0,1,0|2,0,0]=4 3554 B19R2.79 CCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211359_100000185958 [1,0,0,0,1,0|1,0,0]=3 3555 B19R2.79 CCc1ccc(cc1)OCC(O)c2ccccc2 7a_100000211359_100000185958 [1,0,0,0,1,0|1,0,0]=3 3556 B19R2.79 CCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211359_100011933945 [1,0,0,0,1,0|1,0,0]=3 3557 B19R2.79 CCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000211359_100011933945 [1,0,0,0,1,0|1,0,0]=3 3558 B19R2.79 CCc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100011215824 [1,0,0,0,1,0|2,0,0]=4 3559 B19R2.79 CCc1ccc(cc1)SCC(C)c2ccccc2 62a_100011215824_100000756946 [1,0,0,0,1,0|2,0,0]=4 3560 B19R2.79 CCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011215824 [1,0,0,0,1,0|1,0,0]=3 3561 B19R2.79 CCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011215824_100000185958 [1,0,0,0,1,0|1,0,0]=3 3562 B19R2.79 CCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011215824_100011933945 [1,0,0,0,1,0|1,0,0]=3 3563 B19R2.79 CCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215824 [1,0,0,0,1,0|1,0,0]=3 3564 B19R2.79 CCc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100009820025 [1,0,0,0,1,0|2,0,0]=4 3565 B19R2.79 CCc1ccc(cn1)SCC(O)c2ccccc2 62a_100009820025_100000185958 [1,0,0,0,1,0|2,0,0]=4 3566 B19R2.79 CCc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100009820025_100011933945 [1,0,0,0,1,0|2,0,0]=4 3567 B19R2.79 CCc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009820025 [1,0,0,0,1,0|2,0,0]=4 3568 B19R2.79 CCc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100009843584 [1,0,0,0,1,0|2,0,0]=4 3569 B19R2.79 CCc1ccc(nc1)SCC(O)c2ccccc2 62a_100009843584_100000185958 [1,0,0,0,1,0|2,0,0]=4 3570 B19R2.79 CCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100009843584_100011933945 [1,0,0,0,1,0|2,0,0]=4 3571 B19R2.79 CCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009843584 [1,0,0,0,1,0|2,0,0]=4 3572 B19R2.79 CNc1ccc(cc1)OCC(O)c2ccccc2 34a_100000182112_100000185958 [1,0,0,0,1,0|2,0,0]=4 3573 B19R2.79 CNc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000182112_100011933945 [1,0,0,0,1,0|2,0,0]=4 3574 B19R2.79 CNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000743151 [1,0,0,0,1,0|2,0,0]=4 3575 B19R2.79 CNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000743151_100000185958 [1,0,0,0,1,0|2,0,0]=4 3576 B19R2.79 CNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000743151_100011933945 [1,0,0,0,1,0|2,0,0]=4 3577 B19R2.79 CNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000743151 [1,0,0,0,1,0|2,0,0]=4 3578 B19R2.79 COc1ccc(cc1)NCC(C)c2ccccc2 34a_100000184247_100000756946 [1,0,0,0,1,0|1,0,1]=4 3579 B19R2.79 COc1ccc(cc1)NCC(O)c2ccccc2 34a_100000184247_100000185958 [1,0,0,0,1,0|0,0,1]=3 3580 B19R2.79 COc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000184247_100011933945 [1,0,0,0,1,0|0,0,1]=3 3581 B19R2.79 COc1ccc(cc1)OCC(C)c2ccccc2 34a_100000210503_100000756946 [1,0,0,0,1,0|2,0,0]=4 3582 B19R2.79 COc1ccc(cc1)OCC(O)c2ccccc2 34a_100000210503_100000185958 [1,0,0,0,1,0|1,0,0]=3 3583 B19R2.79 COc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000210503_100011933945 [1,0,0,0,1,0|1,0,0]=3 3584 B19R2.79 COc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000171711 [1,0,0,0,1,0|2,0,0]=4 3585 B19R2.79 COc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000171711 [1,0,0,0,1,0|1,0,0]=3 3586 B19R2.79 COc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000171711 [1,0,0,0,1,0|1,0,0]=3 3587 B19R2.79 COc1ccc(cn1)OCC(O)c2ccccc2 34a_100011934560_100000185958 [1,0,0,0,1,0|2,0,0]=4 3588 B19R2.79 COc1ccc(cn1)OC[C@@H](O)c2ccccc2 34a_100011934560_100011933945 [1,0,0,0,1,0|2,0,0]=4 3589 B19R2.79 COc1ccc(cn1)SCC(O)c2ccccc2 62a_100000047065_100000185958 [1,0,0,0,1,0|2,0,0]=4 3590 B19R2.79 COc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000047065 [1,0,0,0,1,0|2,0,0]=4 3591 B19R2.79 COc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000047065_100011933945 [1,0,0,0,1,0|2,0,0]=4 3592 B19R2.79 COc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000047065 [1,0,0,0,1,0|2,0,0]=4 3593 B19R2.79 COc1ccc(nc1)OCC(O)c2ccccc2 34a_100012002028_100000185958 [1,0,0,0,1,0|2,0,0]=4 3594 B19R2.79 COc1ccc(nc1)OC[C@@H](O)c2ccccc2 34a_100012002028_100011933945 [1,0,0,0,1,0|2,0,0]=4 3595 B19R2.79 COc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000744180 [1,0,0,0,1,0|2,0,0]=4 3596 B19R2.79 COc1ccc(nc1)SCC(O)c2ccccc2 62a_100000755202_100000185958 [1,0,0,0,1,0|2,0,0]=4 3597 B19R2.79 COc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000755202_100011933945 [1,0,0,0,1,0|2,0,0]=4 3598 B19R2.79 COc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744180 [1,0,0,0,1,0|2,0,0]=4 3599 B19R2.79 CSc1ccc(cc1)NCC(O)c2ccccc2 34a_100000212337_100000185958 [1,0,0,0,1,0|0,1,1]=4 3600 B19R2.79 CSc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000212337_100011933945 [1,0,0,0,1,0|0,1,1]=4 3601 B19R2.79 CSc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211864_100000185958 [1,0,0,0,1,0|1,1,0]=4 3602 B19R2.79 CSc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211864_100011933945 [1,0,0,0,1,0|1,1,0]=4 3603 B19R2.79 CSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011263217 [1,0,0,0,1,0|1,1,0]=4 3604 B19R2.79 CSc1ccc(cc1)SCC(O)c2ccccc2 62a_100011263217_100000185958 [1,0,0,0,1,0|1,1,0]=4 3605 B19R2.79 CSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011263217_100011933945 [1,0,0,0,1,0|1,1,0]=4 3606 B19R2.79 CSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011263217 [1,0,0,0,1,0|1,1,0]=4 3607 B19R2.79 NCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000185549_100000185958 [1,0,0,0,1,0|2,0,0]=4 3608 B19R2.79 NCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000185549_100011933945 [1,0,0,0,1,0|2,0,0]=4 3609 B19R2.79 NCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100016989417 [1,0,0,0,1,0|2,0,0]=4 3610 B19R2.79 NCc1ccc(cc1)SCC(O)c2ccccc2 62a_100016989417_100000185958 [1,0,0,0,1,0|2,0,0]=4 3611 B19R2.79 NCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100016989417 [1,0,0,0,1,0|2,0,0]=4 3612 B19R2.79 NCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100016989417_100011933945 [1,0,0,0,1,0|2,0,0]=4 3613 B19R2.79 OC(CSc1ccc(cc1)CF)c2ccccc2 62a_100000185958_100010268989 [1,0,0,0,1,0|2,0,0]=4 3614 B19R2.79 OC(CSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100000185958 [1,0,0,0,1,0|2,0,0]=4 3615 B19R2.79 OCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100011215238_100000185958 [1,0,0,0,1,0|1,0,1]=4 3616 B19R2.79 OCc1ccc(cc1)NCC(O)c2ccccc2 34a_100011215238_100000185958 [1,0,0,0,1,0|1,0,1]=4 3617 B19R2.79 OCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100011215238_100011933945 [1,0,0,0,1,0|1,0,1]=4 3618 B19R2.79 OCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011215238_100011933945 [1,0,0,0,1,0|1,0,1]=4 3619 B19R2.79 OCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211755_100000185958 [1,0,0,0,1,0|2,0,0]=4 3620 B19R2.79 OCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211755_100011933945 [1,0,0,0,1,0|2,0,0]=4 3621 B19R2.79 OCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000690907 [1,0,0,0,1,0|2,0,0]=4 3622 B19R2.79 OCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000690907_100000185958 [1,0,0,0,1,0|2,0,0]=4 3623 B19R2.79 OCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000690907_100011933945 [1,0,0,0,1,0|2,0,0]=4 3624 B19R2.79 OCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000690907 [1,0,0,0,1,0|2,0,0]=4 3625 B19R2.79 O[C@H](CSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100011933945 [1,0,0,0,1,0|2,0,0]=4 3626 B19R2.79 O[C@H](CSc1ccc(cc1)CF)c2ccccc2 62a_100011933945_100010268989 [1,0,0,0,1,0|2,0,0]=4 3627 B19R2.4312 CCCc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000750032 [1,0,0,0,1,0|1,0,1]=4 3628 B19R2.4312 CCCc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000229940 [1,0,0,0,1,0|2,0,0]=4 3629 B19R2.4312 CCCc1ccc(cc1)NCCc2ccccc2 2230a_100000211780_100000765856 [1,0,0,0,1,0|1,0,1]=4 3630 B19R2.4312 CCCc1ccc(cc1)NCCc2ccccc2 34a_100000211780_100000765856 [1,0,0,0,1,0|1,0,1]=4 3631 B19R2.4312 CCCc1ccc(cc1)OCCc2ccccc2 34a_100000749406_100000765856 [1,0,0,0,1,0|2,0,0]=4 3632 B19R2.4312 CCCc1ccc(cc1)OCCc2ccccc2 7a_100000749406_100000765856 [1,0,0,0,1,0|2,0,0]=4 3633 B19R2.4312 CCCc1ccc(cc1)SCCc2ccccc2 62a_100000750032_100011218657 [1,0,0,0,1,0|2,0,0]=4 3634 B19R2.4312 CCCc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000750032 [1,0,0,0,1,0|2,0,0]=4 3635 B19R2.4312 CCNc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000219632 [1,0,0,0,1,0|1,0,1]=4 3636 B19R2.4312 CCNc1ccc(cc1)OCCc2ccccc2 34a_100011337800_100000765856 [1,0,0,0,1,0|2,0,0]=4 3637 B19R2.4312 CCNc1ccc(cc1)OCCc2ccccc2 7a_100011337800_100000765856 [1,0,0,0,1,0|2,0,0]=4 3638 B19R2.4312 CCNc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000219632 [1,0,0,0,1,0|2,0,0]=4 3639 B19R2.4312 CCOc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000169946 [1,0,0,0,1,0|0,0,1]=3 3640 B19R2.4312 CCOc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000169836 [1,0,0,0,1,0|1,0,0]=3 3641 B19R2.4312 CCOc1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000169836 [1,0,0,0,1,0|2,0,0]=4 3642 B19R2.4312 CCOc1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000169836 [1,0,0,0,1,0|2,0,0]=4 3643 B19R2.4312 CCOc1ccc(cc1)C=NNc2ccncc2 4a_100000698918_100000169836 [1,0,0,0,1,0|2,0,0]=4 3644 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 207a_100000185588_100015611070 [1,0,0,0,1,0|0,0,2]=4 3645 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000169836 [1,0,0,0,1,0|0,0,2]=4 3646 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 2230a_100000185588_100015291786 [1,0,0,0,1,0|0,0,2]=4 3647 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 270004a_100000185588_100015611070 [1,0,0,0,1,0|0,0,2]=4 3648 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000169836 [1,0,0,0,1,0|0,0,2]=4 3649 B19R2.4312 CCOc1ccc(cc1)CNCc2ccccc2 34a_100000185588_100015291786 [1,0,0,0,1,0|0,0,2]=4 3650 B19R2.4312 CCOc1ccc(cc1)COCc2ccccc2 34a_100000173027_100015291786 [1,0,0,0,1,0|1,0,1]=4 3651 B19R2.4312 CCOc1ccc(cc1)COCc2ccccc2 7a_100000173027_100000211182 [1,0,0,0,1,0|1,0,1]=4 3652 B19R2.4312 CCOc1ccc(cc1)NCCc2ccccc2 2230a_100000739623_100000765856 [1,0,0,0,1,0|0,0,1]=3 3653 B19R2.4312 CCOc1ccc(cc1)NCCc2ccccc2 34a_100000739623_100000765856 [1,0,0,0,1,0|0,0,1]=3 3654 B19R2.4312 CCOc1ccc(cc1)NCCc2ccccn2 2230a_100000739623_100015183660 [1,0,0,0,1,0|1,0,1]=4 3655 B19R2.4312 CCOc1ccc(cc1)NCCc2cccnc2 2230a_100000739623_200011713674 [1,0,0,0,1,0|1,0,1]=4 3656 B19R2.4312 CCOc1ccc(cc1)NCCc2ccncc2 2230a_100000739623_100000723409 [1,0,0,0,1,0|1,0,1]=4 3657 B19R2.4312 CCOc1ccc(cc1)NCSc2ccccc2 2230a_100000739623_100011218342 [1,0,0,0,1,0|1,0,1]=4 3658 B19R2.4312 CCOc1ccc(cc1)NN=Cc2ccccc2 4a_100000738955_100015611070 [1,0,0,0,1,0|1,0,1]=4 3659 B19R2.4312 CCOc1ccc(cc1)OCCc2ccccc2 34a_100000185467_100000765856 [1,0,0,0,1,0|1,0,0]=3 3660 B19R2.4312 CCOc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000171712 [1,0,0,0,1,0|1,0,0]=3 3661 B19R2.4312 CCOc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000171712 [1,0,0,0,1,0|2,0,0]=4 3662 B19R2.4312 CCOc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000171712 [1,0,0,0,1,0|2,0,0]=4 3663 B19R2.4312 CCOc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000171712 [1,0,0,0,1,0|2,0,0]=4 3664 B19R2.4312 CCOc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000171712 [1,0,0,0,1,0|2,0,0]=4 3665 B19R2.4312 CCOc1ccc(cn1)C=CCc2ccccc2 271570a_200016263579_100011219444 [1,0,0,0,1,0|1,0,1]=4 3666 B19R2.4312 CCOc1ccc(cn1)C=NNc2ccccc2 4a_100015195140_100012002837 [1,0,0,0,1,0|2,0,0]=4 3667 B19R2.4312 CCOc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100011219444 [1,0,0,0,1,0|2,0,0]=4 3668 B19R2.4312 CCOc1ccc(cn1)SCCc2ccccc2 62a_100011219444_100011218657 [1,0,0,0,1,0|2,0,0]=4 3669 B19R2.4312 CCOc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100000753957 [1,0,0,0,1,0|1,0,1]=4 3670 B19R2.4312 CCOc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000753957 [1,0,0,0,1,0|2,0,0]=4 3671 B19R2.4312 CCOc1ccc(nc1)SCCc2ccccc2 62a_100012355646_100011218657 [1,0,0,0,1,0|2,0,0]=4 3672 B19R2.4312 CCSc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_200009811893 [1,0,0,0,1,0|0,1,1]=4 3673 B19R2.4312 CCSc1ccc(cc1)NCCc2ccccc2 34a_100015187087_100000765856 [1,0,0,0,1,0|0,1,1]=4 3674 B19R2.4312 CCSc1ccc(cc1)SCCc2ccccc2 62a_100000765856_200009811893 [1,0,0,0,1,0|1,1,0]=4 3675 B19R2.4312 CCSc1ccc(cc1)SCCc2ccccc2 62a_200009811893_100011218657 [1,0,0,0,1,0|1,1,0]=4 3676 B19R2.4298 CCCc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000750032 [0,0,0,0,2,0|2,0,0]=4 3677 B19R2.4298 CCNc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000219632 [0,0,0,0,2,0|2,0,0]=4 3678 B19R2.4298 CCOc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000169946 [0,0,0,0,2,0|1,0,0]=3 3679 B19R2.4298 CCOc1ccc(cc1)NC(C)c2ccccc2 2230a_100000739623_100000230085 [0,0,0,0,2,0|1,0,1]=4 3680 B19R2.4298 CCOc1ccc(cc1)NC(C)c2ccccc2 34a_100000739623_100000211855 [0,0,0,0,2,0|1,0,1]=4 3681 B19R2.4298 CCOc1ccc(cc1)OC(C)c2ccccc2 34a_100000185467_100000211855 [0,0,0,0,2,0|2,0,0]=4 3682 B19R2.4298 CCOc1ccc(cc1)SC(C)c2ccccc2 62a_100000230085_100000171712 [0,0,0,0,2,0|2,0,0]=4 3683 B19R2.4298 CCOc1ccc(cn1)CC(C)c2ccccc2 271570a_100000062452_100011219444 [0,0,0,0,2,0|2,0,0]=4 3684 B19R2.4298 CCOc1ccc(nc1)CC(C)c2ccccc2 271570a_100000062452_100000753957 [0,0,0,0,2,0|2,0,0]=4 3685 B19R2.4298 CCSc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_200009811893 [0,0,0,0,2,0|1,1,0]=4 3686 B21R2.76 CCc1ccc(cc1)CCNCC(O)c2ccccc2 2230a_100025712186_100000185958 [1,0,0,0,0,1|0,0,2]=4 3687 B21R2.76 CCc1ccc(cc1)CCNCC(O)c2ccccc2 34a_100025712186_100000185958 [1,0,0,0,0,1|0,0,2]=4 3688 B21R2.76 CCc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 2230a_100025712186_100011933945 [1,0,0,0,0,1|0,0,2]=4 3689 B21R2.76 CCc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 34a_100025712186_100011933945 [1,0,0,0,0,1|0,0,2]=4 3690 B21R2.76 CCc1ccc(cc1)CNCCC(O)c2ccccc2 207a_100000763605_100000211036 [1,0,0,0,0,1|0,0,2]=4 3691 B21R2.76 CCc1ccc(cc1)CNCCC(O)c2ccccc2 2230a_100000763605_100000747183 [1,0,0,0,0,1|0,0,2]=4 3692 B21R2.76 CCc1ccc(cc1)CNCCC(O)c2ccccc2 270004a_100000763605_100000211036 [1,0,0,0,0,1|0,0,2]=4 3693 B21R2.76 CCc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 2230a_100000721222_100000729684 [1,0,0,0,0,1|0,0,2]=4 3694 B21R2.76 CCc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 34a_100000721222_100000729684 [1,0,0,0,0,1|0,0,2]=4 3695 B21R2.76 CCc1ccc(cc1)COCC[C@@H](O)c2ccccc2 34a_100000702245_100000729684 [1,0,0,0,0,1|1,0,1]=4 3696 B21R2.76 CCc1ccc(cc1)COCC[C@@H](O)c2ccccc2 7a_100000702245_100000729684 [1,0,0,0,0,1|1,0,1]=4 3697 B21R2.76 CCc1ccc(cc1)CSCC[C@@H](O)c2ccccc2 62a_100000729684_100000747183 [1,0,0,0,0,1|1,0,1]=4 3698 B21R2.76 CCc1ccc(cc1)CSCC[C@@H](O)c2ccccc2 62a_100000757233_100000729684 [1,0,0,0,0,1|1,0,1]=4 3699 B21R2.76 CCc1ccc(cc1)NN=CCC(C)c2ccccc2 4a_100015204395_100000189432 [1,0,0,0,0,1|2,0,0]=4 3700 B21R2.76 COc1ccc(cc1)/C=C/COC(C)c2ccccc2 34a_200016269047_100000211855 [1,0,0,0,0,1|2,0,0]=4 3701 B21R2.76 COc1ccc(cc1)C=CCN[C@H](C)c2ccccc2 270004a_100000751104_100016259823 [1,0,0,0,0,1|2,0,0]=4 3702 B21R2.76 COc1ccc(cc1)CCNCC(O)c2ccccc2 2230a_100000210709_100011713689 [1,0,0,0,0,1|0,0,2]=4 3703 B21R2.76 COc1ccc(cc1)CCNCC(O)c2ccccc2 2230a_100000210796_100000185958 [1,0,0,0,0,1|0,0,2]=4 3704 B21R2.76 COc1ccc(cc1)CCNCC(O)c2ccccc2 270004a_100000210709_100011242372 [1,0,0,0,0,1|0,0,2]=4 3705 B21R2.76 COc1ccc(cc1)CCNCC(O)c2ccccc2 34a_100000210796_100000185958 [1,0,0,0,0,1|0,0,2]=4 3706 B21R2.76 COc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 2230a_100000210796_100011933945 [1,0,0,0,0,1|0,0,2]=4 3707 B21R2.76 COc1ccc(cc1)CCNC[C@@H](O)c2ccccc2 34a_100000210796_100011933945 [1,0,0,0,0,1|0,0,2]=4 3708 B21R2.76 COc1ccc(cc1)CCOCC(O)c2ccccc2 34a_100011219623_100000185958 [1,0,0,0,0,1|1,0,1]=4 3709 B21R2.76 COc1ccc(cc1)CCOCC(O)c2ccccc2 7a_100011219623_100000185958 [1,0,0,0,0,1|1,0,1]=4 3710 B21R2.76 COc1ccc(cc1)CCOC[C@@H](O)c2ccccc2 34a_100011219623_100011933945 [1,0,0,0,0,1|1,0,1]=4 3711 B21R2.76 COc1ccc(cc1)CCOC[C@@H](O)c2ccccc2 7a_100011219623_100011933945 [1,0,0,0,0,1|1,0,1]=4 3712 B21R2.76 COc1ccc(cc1)CCSCC(O)c2ccccc2 62a_100000185958_100011713689 [1,0,0,0,0,1|1,0,1]=4 3713 B21R2.76 COc1ccc(cc1)CCSCC(O)c2ccccc2 62a_100011713689_100000185958 [1,0,0,0,0,1|1,0,1]=4 3714 B21R2.76 COc1ccc(cc1)CCSC[C@@H](O)c2ccccc2 62a_100011713689_100011933945 [1,0,0,0,0,1|1,0,1]=4 3715 B21R2.76 COc1ccc(cc1)CCSC[C@@H](O)c2ccccc2 62a_100011933945_100011713689 [1,0,0,0,0,1|1,0,1]=4 3716 B21R2.76 COc1ccc(cc1)CNCCC(O)c2ccccc2 207a_100000763605_100000169835 [1,0,0,0,0,1|0,0,2]=4 3717 B21R2.76 COc1ccc(cc1)CNCCC(O)c2ccccc2 2230a_100000763605_100000742318 [1,0,0,0,0,1|0,0,2]=4 3718 B21R2.76 COc1ccc(cc1)CNCCC(O)c2ccccc2 270004a_100000763605_100000169835 [1,0,0,0,0,1|0,0,2]=4 3719 B21R2.76 COc1ccc(cc1)CNCC[C@@H](O)c2ccccc2 34a_100000185587_100000729684 [1,0,0,0,0,1|0,0,2]=4 3720 B21R2.76 COc1ccc(cc1)COCC[C@@H](O)c2ccccc2 34a_100000173359_100000729684 [1,0,0,0,0,1|1,0,1]=4 3721 B21R2.76 COc1ccc(cc1)CSCC[C@@H](O)c2ccccc2 62a_100000729684_100000742318 [1,0,0,0,0,1|1,0,1]=4 3722 B21R2.76 COc1ccc(cc1)NN=CCC(C)c2ccccc2 4a_100000005221_100000189432 [1,0,0,0,0,1|2,0,0]=4 3723 B21R2.79 CCc1ccc(cc1)CNCC(O)Cc2ccccc2 207a_100000752270_100000211036 [1,0,0,0,0,1|0,0,2]=4 3724 B21R2.79 CCc1ccc(cc1)CNCC(O)Cc2ccccc2 2230a_100000752270_100000747183 [1,0,0,0,0,1|0,0,2]=4 3725 B21R2.79 CCc1ccc(cc1)CNCC(O)Cc2ccccc2 270004a_100000752270_100000211036 [1,0,0,0,0,1|0,0,2]=4 3726 B21R2.79 CCc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 2230a_100000721222_100000729385 [1,0,0,0,0,1|0,0,2]=4 3727 B21R2.79 CCc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 34a_100000721222_100000729385 [1,0,0,0,0,1|0,0,2]=4 3728 B21R2.79 CCc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 34a_100000702245_100000729385 [1,0,0,0,0,1|1,0,1]=4 3729 B21R2.79 CCc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 7a_100000702245_100000729385 [1,0,0,0,0,1|1,0,1]=4 3730 B21R2.79 CCc1ccc(cc1)CSC[C@@H](O)Cc2ccccc2 62a_100000729385_100000747183 [1,0,0,0,0,1|1,0,1]=4 3731 B21R2.79 CCc1ccc(cc1)CSC[C@@H](O)Cc2ccccc2 62a_100000757233_100000729385 [1,0,0,0,0,1|1,0,1]=4 3732 B21R2.79 COc1ccc(cc1)CNCC(O)Cc2ccccc2 207a_100000752270_100000169835 [1,0,0,0,0,1|0,0,2]=4 3733 B21R2.79 COc1ccc(cc1)CNCC(O)Cc2ccccc2 2230a_100000752270_100000742318 [1,0,0,0,0,1|0,0,2]=4 3734 B21R2.79 COc1ccc(cc1)CNCC(O)Cc2ccccc2 270004a_100000752270_100000169835 [1,0,0,0,0,1|0,0,2]=4 3735 B21R2.79 COc1ccc(cc1)CNC[C@@H](O)Cc2ccccc2 34a_100000185587_100000729385 [1,0,0,0,0,1|0,0,2]=4 3736 B21R2.79 COc1ccc(cc1)COC[C@@H](O)Cc2ccccc2 34a_100000173359_100000729385 [1,0,0,0,0,1|1,0,1]=4 3737 B21R2.79 COc1ccc(cc1)CSC[C@@H](O)Cc2ccccc2 62a_100000729385_100000742318 [1,0,0,0,0,1|1,0,1]=4 3738 B21R2.2528 CCCc1ccc(cc1)C=CCOCc2ccccc2 271570a_200011106559_100000750032 [1,0,0,0,0,1|2,0,0]=4 3739 B21R2.2528 CCCc1ccc(cc1)C=NNCCc2ccccc2 4a_100000740470_100000229940 [1,0,0,0,0,1|1,0,0]=3 3740 B21R2.2528 CCCc1ccc(cc1)NN=CCCc2ccccc2 4a_100015306804_100000198083 [1,0,0,0,0,1|2,0,0]=4 3741 B21R2.2528 CCNc1ccc(cc1)C=CCOCc2ccccc2 271570a_200011106559_100000219632 [1,0,0,0,0,1|2,0,0]=4 3742 B21R2.2528 CCOc1ccc(cc1)C=CCOCc2ccccc2 271570a_200011106559_100000169946 [1,0,0,0,0,1|1,0,0]=3 3743 B21R2.2528 CCOc1ccc(cc1)C=NNCCc2ccccc2 4a_100000740470_100000169836 [1,0,0,0,0,1|0,0,0]=2 3744 B21R2.2528 CCOc1ccc(cc1)CCCNCc2ccccc2 207a_100011236317_100015611070 [1,0,0,0,0,1|1,0,1]=4 3745 B21R2.2528 CCOc1ccc(cc1)CCCNCc2ccccc2 2230a_100011236317_100015291786 [1,0,0,0,0,1|1,0,1]=4 3746 B21R2.2528 CCOc1ccc(cc1)CCCNCc2ccccc2 270004a_100011236317_100015611070 [1,0,0,0,0,1|1,0,1]=4 3747 B21R2.2528 CCOc1ccc(cc1)CCCNCc2ccccc2 34a_100011236317_100015291786 [1,0,0,0,0,1|1,0,1]=4 3748 B21R2.2528 CCOc1ccc(cc1)CCNCCc2ccccc2 2230a_100011194255_100000765856 [1,0,0,0,0,1|0,0,2]=4 3749 B21R2.2528 CCOc1ccc(cc1)CCNCCc2ccccc2 34a_100011194255_100000765856 [1,0,0,0,0,1|0,0,2]=4 3750 B21R2.2528 CCOc1ccc(cc1)CCOCCc2ccccc2 34a_100011217992_100000765856 [1,0,0,0,0,1|1,0,1]=4 3751 B21R2.2528 CCOc1ccc(cc1)CCOCCc2ccccc2 7a_100011217992_100000765856 [1,0,0,0,0,1|1,0,1]=4 3752 B21R2.2528 CCOc1ccc(cc1)CNCCCc2ccccc2 207a_100000211184_100000169836 [1,0,0,0,0,1|0,0,2]=4 3753 B21R2.2528 CCOc1ccc(cc1)CNCCCc2ccccc2 2230a_100000185588_100000211621 [1,0,0,0,0,1|0,0,2]=4 3754 B21R2.2528 CCOc1ccc(cc1)CNCCCc2ccccc2 270004a_100000211184_100000169836 [1,0,0,0,0,1|0,0,2]=4 3755 B21R2.2528 CCOc1ccc(cc1)CNCCCc2ccccc2 34a_100000185588_100000211621 [1,0,0,0,0,1|0,0,2]=4 3756 B21R2.2528 CCOc1ccc(cc1)CNCCOc2ccccc2 207a_100000174943_100000169836 [1,0,0,0,0,1|0,0,2]=4 3757 B21R2.2528 CCOc1ccc(cc1)CNCCOc2ccccc2 2230a_100000185588_100000184471 [1,0,0,0,0,1|0,0,2]=4 3758 B21R2.2528 CCOc1ccc(cc1)CNCCOc2ccccc2 270004a_100000174943_100000169836 [1,0,0,0,0,1|0,0,2]=4 3759 B21R2.2528 CCOc1ccc(cc1)CNCCOc2ccccc2 270004a_100000185588_100000758736 [1,0,0,0,0,1|0,0,2]=4 3760 B21R2.2528 CCOc1ccc(cc1)CNCCOc2ccccc2 34a_100000185588_100000184471 [1,0,0,0,0,1|0,0,2]=4 3761 B21R2.2528 CCOc1ccc(cc1)CNCCSc2ccccc2 207a_100000189519_100000169836 [1,0,0,0,0,1|0,0,2]=4 3762 B21R2.2528 CCOc1ccc(cc1)CNCCSc2ccccc2 2230a_100000185588_100000246102 [1,0,0,0,0,1|0,0,2]=4 3763 B21R2.2528 CCOc1ccc(cc1)CNCCSc2ccccc2 270004a_100000189519_100000169836 [1,0,0,0,0,1|0,0,2]=4 3764 B21R2.2528 CCOc1ccc(cc1)CNCCSc2ccccc2 34a_100000185588_100000246102 [1,0,0,0,0,1|0,0,2]=4 3765 B21R2.2528 CCOc1ccc(cc1)CNCOCc2ccccc2 2230a_100000185588_100000763385 [1,0,0,0,0,1|0,0,2]=4 3766 B21R2.2528 CCOc1ccc(cc1)CNCOCc2ccccc2 34a_100000185588_100000763385 [1,0,0,0,0,1|0,0,2]=4 3767 B21R2.2528 CCOc1ccc(cc1)CNCSCc2ccccc2 2230a_100000185588_200011217039 [1,0,0,0,0,1|0,0,2]=4 3768 B21R2.2528 CCOc1ccc(cc1)CNCSCc2ccccc2 34a_100000185588_200011217039 [1,0,0,0,0,1|0,0,2]=4 3769 B21R2.2528 CCOc1ccc(cc1)COCCCc2ccccc2 34a_100000173027_100000211621 [1,0,0,0,0,1|1,0,1]=4 3770 B21R2.2528 CCOc1ccc(cc1)COCCCc2ccccc2 7a_100000173027_100000211621 [1,0,0,0,0,1|1,0,1]=4 3771 B21R2.2528 CCOc1ccc(cc1)COCCOc2ccccc2 34a_100000173027_100000184471 [1,0,0,0,0,1|1,0,1]=4 3772 B21R2.2528 CCOc1ccc(cc1)COCCOc2ccccc2 7a_100000173027_100000184471 [1,0,0,0,0,1|1,0,1]=4 3773 B21R2.2528 CCOc1ccc(cc1)COCCSc2ccccc2 34a_100000173027_100000246102 [1,0,0,0,0,1|1,0,1]=4 3774 B21R2.2528 CCOc1ccc(cc1)COCCSc2ccccc2 7a_100000173027_100000246102 [1,0,0,0,0,1|1,0,1]=4 3775 B21R2.2528 CCOc1ccc(cc1)COCOCc2ccccc2 34a_100000173027_100000763385 [1,0,0,0,0,1|1,0,1]=4 3776 B21R2.2528 CCOc1ccc(cc1)COCSCc2ccccc2 34a_100000173027_200011217039 [1,0,0,0,0,1|1,0,1]=4 3777 B21R2.2528 CCOc1ccc(cc1)NCCCCc2ccccc2 2230a_100000739623_100000701786 [1,0,0,0,0,1|1,0,1]=4 3778 B21R2.2528 CCOc1ccc(cc1)NCCCCc2ccccc2 34a_100000739623_100000701786 [1,0,0,0,0,1|1,0,1]=4 3779 B21R2.2528 CCOc1ccc(cc1)NCCCOc2ccccc2 2230a_100000739623_100000199009 [1,0,0,0,0,1|2,0,0]=4 3780 B21R2.2528 CCOc1ccc(cc1)NCCCOc2ccccc2 34a_100000739623_100000199009 [1,0,0,0,0,1|2,0,0]=4 3781 B21R2.2528 CCOc1ccc(cc1)NCCCSc2ccccc2 2230a_100000739623_200011203293 [1,0,0,0,0,1|2,0,0]=4 3782 B21R2.2528 CCOc1ccc(cc1)NCCCSc2ccccc2 34a_100000739623_200011203293 [1,0,0,0,0,1|2,0,0]=4 3783 B21R2.2528 CCOc1ccc(cc1)NCCOCc2ccccc2 2230a_100000739623_100000234347 [1,0,0,0,0,1|2,0,0]=4 3784 B21R2.2528 CCOc1ccc(cc1)NCCOCc2ccccc2 34a_100000739623_100000234347 [1,0,0,0,0,1|2,0,0]=4 3785 B21R2.2528 CCOc1ccc(cc1)NCCSCc2ccccc2 2230a_100000739623_200011297719 [1,0,0,0,0,1|2,0,0]=4 3786 B21R2.2528 CCOc1ccc(cc1)NCCSCc2ccccc2 34a_100000739623_200011297719 [1,0,0,0,0,1|2,0,0]=4 3787 B21R2.2528 CCOc1ccc(cc1)NN=CCCc2ccccc2 4a_100000738955_100000198083 [1,0,0,0,0,1|1,0,0]=3 3788 B21R2.2528 CCOc1ccc(cc1)NN=CCOc2ccccc2 4a_100000738955_100000758736 [1,0,0,0,0,1|1,0,1]=4 3789 B21R2.2528 CCOc1ccc(cc1)OCCCCc2ccccc2 34a_100000185467_100000701786 [1,0,0,0,0,1|1,0,1]=4 3790 B21R2.2528 CCOc1ccc(cc1)OCCCOc2ccccc2 34a_100000185467_100000199009 [1,0,0,0,0,1|2,0,0]=4 3791 B21R2.2528 CCOc1ccc(cc1)OCCCSc2ccccc2 34a_100000185467_200011203293 [1,0,0,0,0,1|2,0,0]=4 3792 B21R2.2528 CCOc1ccc(cc1)OCCNCc2ccccc2 2230a_100015324214_100000183166 [1,0,0,0,0,1|2,0,0]=4 3793 B21R2.2528 CCOc1ccc(cc1)OCCNCc2ccccc2 34a_100015324214_100000183166 [1,0,0,0,0,1|2,0,0]=4 3794 B21R2.2528 CCOc1ccc(cc1)OCCOCc2ccccc2 34a_100000185467_100000234347 [1,0,0,0,0,1|2,0,0]=4 3795 B21R2.2528 CCOc1ccc(cc1)OCCOCc2ccccc2 34a_100000210790_100000183166 [1,0,0,0,0,1|2,0,0]=4 3796 B21R2.2528 CCOc1ccc(cc1)OCCOCc2ccccc2 34a_200011305789_100015291786 [1,0,0,0,0,1|2,0,0]=4 3797 B21R2.2528 CCOc1ccc(cc1)OCCOCc2ccccc2 7a_100000210790_100000183166 [1,0,0,0,0,1|2,0,0]=4 3798 B21R2.2528 CCOc1ccc(cc1)OCCSCc2ccccc2 34a_100000185467_200011297719 [1,0,0,0,0,1|2,0,0]=4 3799 B21R2.2528 CCOc1ccc(cc1)OCCSCc2ccccc2 62a_100000183166_100015291786 [1,0,0,0,0,1|2,0,0]=4 3800 B21R2.2528 CCOc1ccc(cc1)OCCSCc2ccccc2 62a_100000211182_100000183166 [1,0,0,0,0,1|2,0,0]=4 3801 B21R2.2528 CCOc1ccc(cc1)SCCCCc2ccccc2 62a_100000701786_100000171712 [1,0,0,0,0,1|1,0,1]=4 3802 B21R2.2528 CCOc1ccc(cc1)SCCCOc2ccccc2 62a_100000199009_100000171712 [1,0,0,0,0,1|2,0,0]=4 3803 B21R2.2528 CCOc1ccc(cc1)SCCCSc2ccccc2 62a_200011203293_100000171712 [1,0,0,0,0,1|2,0,0]=4 3804 B21R2.2528 CCOc1ccc(cc1)SCCOCc2ccccc2 62a_100000234347_100000171712 [1,0,0,0,0,1|2,0,0]=4 3805 B21R2.2528 CCOc1ccc(cc1)SCCSCc2ccccc2 62a_200011297719_100000171712 [1,0,0,0,0,1|2,0,0]=4 3806 B21R2.2528 CCOc1ccc(cn1)C=CCOCc2ccccc2 271570a_200011106559_100011219444 [1,0,0,0,0,1|2,0,0]=4 3807 B21R2.2528 CCOc1ccc(cn1)C=NNCCc2ccccc2 4a_100000740470_100012002837 [1,0,0,0,0,1|1,0,0]=3 3808 B21R2.2528 CCOc1ccc(nc1)C=CCOCc2ccccc2 271570a_200011106559_100000753957 [1,0,0,0,0,1|2,0,0]=4 3809 B21R2.2528 CCSc1ccc(cc1)C=CCOCc2ccccc2 271570a_200011106559_200009811893 [1,0,0,0,0,1|1,1,0]=4 3810 B21R2.13946 CCOc1cc(ccn1)CNCC(O)c2ccccc2 2230a_100160572661_100000185958 [0,0,0,0,1,1|0,0,2]=4 3811 B21R2.13946 CCOc1cc(ccn1)CNC[C@@H](O)c2ccccc2 2230a_100160572661_100011933945 [0,0,0,0,1,1|0,0,2]=4 3812 B21R2.13946 CCOc1cc(ccn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009995528 [0,0,0,0,1,1|2,0,0]=4 3813 B21R2.13946 CCOc1cc(ccn1)SCC[C@@H](O)c2ccccc2 62a_100009995528_100000729684 [0,0,0,0,1,1|2,0,0]=4 3814 B21R2.13946 CCOc1cccc(c1)CNCC(O)c2ccccc2 207a_100000210709_100000170239 [0,0,0,0,1,1|0,0,2]=4 3815 B21R2.13946 CCOc1cccc(c1)CNCC(O)c2ccccc2 2230a_106359896916_100000185958 [0,0,0,0,1,1|0,0,2]=4 3816 B21R2.13946 CCOc1cccc(c1)CNCC(O)c2ccccc2 270004a_100000210709_100000170239 [0,0,0,0,1,1|0,0,2]=4 3817 B21R2.13946 CCOc1cccc(c1)CNCC(O)c2ccccc2 34a_106359896916_100000185958 [0,0,0,0,1,1|0,0,2]=4 3818 B21R2.13946 CCOc1cccc(c1)CNC[C@@H](O)c2ccccc2 2230a_106359896916_100011933945 [0,0,0,0,1,1|0,0,2]=4 3819 B21R2.13946 CCOc1cccc(c1)CNC[C@@H](O)c2ccccc2 34a_106359896916_100011933945 [0,0,0,0,1,1|0,0,2]=4 3820 B21R2.13946 CCOc1cccc(c1)COCC(O)c2ccccc2 34a_200011232711_100000185958 [0,0,0,0,1,1|1,0,1]=4 3821 B21R2.13946 CCOc1cccc(c1)COCC(O)c2ccccc2 7a_200011232711_100000185958 [0,0,0,0,1,1|1,0,1]=4 3822 B21R2.13946 CCOc1cccc(c1)COC[C@@H](O)c2ccccc2 34a_200011232711_100011933945 [0,0,0,0,1,1|1,0,1]=4 3823 B21R2.13946 CCOc1cccc(c1)COC[C@@H](O)c2ccccc2 7a_200011232711_100011933945 [0,0,0,0,1,1|1,0,1]=4 3824 B21R2.13946 CCOc1cccc(c1)NCC[C@@H](O)c2ccccc2 2230a_100000742568_100000729684 [0,0,0,0,1,1|2,0,0]=4 3825 B21R2.13946 CCOc1cccc(c1)NCC[C@@H](O)c2ccccc2 34a_100000742568_100000729684 [0,0,0,0,1,1|2,0,0]=4 3826 B21R2.13946 CCOc1cccc(c1)OCC[C@@H](O)c2ccccc2 34a_100011215941_100000729684 [0,0,0,0,1,1|2,0,0]=4 3827 B21R2.13946 CCOc1cccc(c1)OCC[C@@H](O)c2ccccc2 7a_100011215941_100000729684 [0,0,0,0,1,1|2,0,0]=4 3828 B21R2.13946 CCOc1cccc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000170002 [0,0,0,0,1,1|2,0,0]=4 3829 B21R2.13946 CCOc1ccnc(c1)NCCC(O)c2ccccc2 27a_100000763605_100009995529 [0,0,0,0,1,1|2,0,0]=4 3830 B21R2.13946 CCOc1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011922638 [0,0,0,0,1,1|2,0,0]=4 3831 B21R2.13946 CCOc1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100009995529_100000729684 [0,0,0,0,1,1|2,0,0]=4 3832 B21R2.13946 CCOc1cncc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100012029586 [0,0,0,0,1,1|2,0,0]=4 3833 B21R2.13946 CCOc1cncc(c1)SCC[C@@H](O)c2ccccc2 62a_100012029586_100000729684 [0,0,0,0,1,1|2,0,0]=4 3834 B23R2.2379 CCOc1ccc(cc1)CCNC[C@@H](O)Cc2ccccc2 2230a_100011194255_100000729385 [0,0,0,0,0,2|0,0,2]=4 3835 B23R2.2379 CCOc1ccc(cc1)CCNC[C@@H](O)Cc2ccccc2 34a_100011194255_100000729385 [0,0,0,0,0,2|0,0,2]=4 3836 B23R2.2379 CCOc1ccc(cc1)CCOC[C@@H](O)Cc2ccccc2 34a_100011217992_100000729385 [0,0,0,0,0,2|1,0,1]=4 3837 B23R2.2379 CCOc1ccc(cc1)CCOC[C@@H](O)Cc2ccccc2 7a_100011217992_100000729385 [0,0,0,0,0,2|1,0,1]=4 3838 B23R2.2396 CCOc1ccc(cc1)CCCNCC(O)c2ccccc2 2230a_100011236317_100000185958 [0,0,0,0,0,2|0,0,2]=4 3839 B23R2.2396 CCOc1ccc(cc1)CCCNCC(O)c2ccccc2 34a_100011236317_100000185958 [0,0,0,0,0,2|0,0,2]=4 3840 B23R2.2396 CCOc1ccc(cc1)CCCNC[C@@H](O)c2ccccc2 2230a_100011236317_100011933945 [0,0,0,0,0,2|0,0,2]=4 3841 B23R2.2396 CCOc1ccc(cc1)CCCNC[C@@H](O)c2ccccc2 34a_100011236317_100011933945 [0,0,0,0,0,2|0,0,2]=4 3842 B23R2.2396 CCOc1ccc(cc1)CCNCC[C@@H](O)c2ccccc2 2230a_100011194255_100000729684 [0,0,0,0,0,2|0,0,2]=4 3843 B23R2.2396 CCOc1ccc(cc1)CCNCC[C@@H](O)c2ccccc2 34a_100011194255_100000729684 [0,0,0,0,0,2|0,0,2]=4 3844 B23R2.2396 CCOc1ccc(cc1)CCOCC[C@@H](O)c2ccccc2 34a_100011217992_100000729684 [0,0,0,0,0,2|1,0,1]=4 3845 B23R2.2396 CCOc1ccc(cc1)CCOCC[C@@H](O)c2ccccc2 7a_100011217992_100000729684 [0,0,0,0,0,2|1,0,1]=4 3846 B23R2.2396 CCOc1ccc(cc1)OCCNCC(O)c2ccccc2 2230a_100000210709_100000183166 [0,0,0,0,0,2|0,0,2]=4 3847 B23R2.2396 CCOc1ccc(cc1)OCCOCC(O)c2ccccc2 34a_200011305789_100000185958 [0,0,0,0,0,2|1,0,1]=4 3848 B23R2.2396 CCOc1ccc(cc1)OCCOC[C@@H](O)c2ccccc2 34a_200011305789_100011933945 [0,0,0,0,0,2|1,0,1]=4 3849 B23R2.2396 CCOc1ccc(cc1)OCCSCC(O)c2ccccc2 62a_100000183166_100000185958 [0,0,0,0,0,2|1,0,1]=4 3850 B23R2.2396 CCOc1ccc(cc1)OCCSCC(O)c2ccccc2 62a_100000185958_100000183166 [0,0,0,0,0,2|1,0,1]=4 3851 B23R2.2396 CCOc1ccc(cc1)OCCSC[C@@H](O)c2ccccc2 62a_100000183166_100011933945 [0,0,0,0,0,2|1,0,1]=4 3852 B23R2.2396 CCOc1ccc(cc1)OCCSC[C@@H](O)c2ccccc2 62a_100011933945_100000183166 [0,0,0,0,0,2|1,0,1]=4 3853 B23R2.2389 CCOc1ccc(cc1)CNCC(O)COc2ccccc2 207a_100000738913_100000169836 [0,0,0,0,0,2|0,0,2]=4 3854 B23R2.2389 CCOc1ccc(cc1)CNCC(O)COc2ccccc2 270004a_100000738913_100000169836 [0,0,0,0,0,2|0,0,2]=4