0 B13R1.386 C=C=Cc1cc(c(nn1)OC)OC 271570a_100015277604_200000095610 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.386 C=C=Cc1ccc(c(c1)C#N)OC 271570a_100015277604_100000188252 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.386 C=C=Cc1ccc(c(c1)C=O)OC 271570a_100015277604_100000170026 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.386 C=C=Cc1ccc(c(c1)CC)OC 271570a_100015277604_200010179862 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.386 C=C=Cc1ccc(c(c1)CN)OC 271570a_100015277604_100000690498 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.386 C=C=Cc1ccc(c(c1)CO)OC 271570a_100015277604_100000204679 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.386 C=C=Cc1ccc(c(c1)OC)C#N 271570a_100015277604_100000694671 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.386 C=C=Cc1ccc(c(c1)OC)CC 271570a_100015277604_200010710398 [0,0,0,0,0,0|1,0,2]=3 9 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,0,0,0,0,0|2,0,2]=4 10 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,0,0,0,0,0|0,0,2]=2 11 B13R1.386 C=C=Cc1ccc(c(c1)OC)SC 271570a_100015277604_200011001119 [0,0,0,0,0,0|0,1,2]=3 12 B13R1.386 C=C=Cc1ccc(c(c1)SC)OC 271570a_100015277604_200009892704 [0,0,0,0,0,0|0,1,2]=3 13 B13R1.386 C=C=Cc1ccc(c(n1)OC)OC 271570a_100015277604_100010214848 [0,0,0,0,0,0|1,0,2]=3 14 B13R1.386 C=C=Cc1cnc(c(c1)OC)OC 271570a_100015277604_100010234541 [0,0,0,0,0,0|1,0,2]=3 15 B13R1.386 C=C=Cc1cnc(c(n1)OC)OC 271570a_100015277604_100010132954 [0,0,0,0,0,0|2,0,2]=4 16 B13R1.386 C=C=Cc1ncc(c(n1)OC)OC 271570a_100015277604_100010280452 [0,0,0,0,0,0|2,0,2]=4 17 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,0,0,0,0,0|0,0,0]=0 18 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,0,0,0,0,0|0,0,0]=0 19 B13R1.386 C=Cc1cc(ccc1OC)CC#N 271570a_100011290941_100011215974 [0,0,0,0,0,0|2,0,2]=4 20 B13R1.386 C=Cc1cc(ccc1OC)CCN 271570a_100011290941_103549771065 [0,0,0,0,0,0|2,0,2]=4 21 B13R1.386 C=Cc1cc(ccc1OC)CCO 271570a_100011290941_100011962876 [0,0,0,0,0,0|2,0,2]=4 22 B13R1.386 C=Cc1ccc(cc1OC)CC#N 271570a_100011290941_100010176002 [0,0,0,0,0,0|2,0,2]=4 23 B13R1.386 CC=Cc1cc(c(nn1)OC)OC 271570a_100016259895_200000095610 [0,0,0,0,0,0|2,0,2]=4 24 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [0,0,0,0,0,0|2,0,2]=4 25 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [0,0,0,0,0,0|2,0,2]=4 26 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,0,0,0,0,0|1,0,2]=3 27 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [0,0,0,0,0,0|2,0,2]=4 28 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [0,0,0,0,0,0|2,0,2]=4 29 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [0,0,0,0,0,0|2,0,2]=4 30 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [0,0,0,0,0,0|2,0,2]=4 31 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [0,0,0,0,0,0|1,0,2]=3 32 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,0,0,0,0,0|2,0,2]=4 33 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,0,0,0,0,0|0,0,2]=2 34 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,0,0,0,0,0|0,0,2]=2 35 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,0,0,0,0,0|0,0,2]=2 36 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [0,0,0,0,0,0|0,1,2]=3 37 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,0,0,0,0,0|0,1,2]=3 38 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [0,0,0,0,0,0|1,0,2]=3 39 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [0,0,0,0,0,0|1,0,2]=3 40 B13R1.386 CC=Cc1cnc(c(n1)OC)OC 271570a_100016259895_100010132954 [0,0,0,0,0,0|2,0,2]=4 41 B13R1.386 CC=Cc1ncc(c(n1)OC)OC 271570a_100016259895_100010280452 [0,0,0,0,0,0|2,0,2]=4 42 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,0,0,0,0,0|0,0,2]=2 43 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,0,0,0,0,0|0,0,2]=2 44 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,0,0,0,0,0|0,0,2]=2 45 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,0,0,0,0,0|0,0,2]=2 46 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,0,0,0,0,0|1,0,2]=3 47 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,0,0,0,0,0|1,0,2]=3 48 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_100000210202_200010179862 [0,0,0,0,0,0|2,0,2]=4 49 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210202 [0,0,0,0,0,0|2,0,2]=4 50 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_100000210202_200010710398 [0,0,0,0,0,0|2,0,2]=4 51 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210202 [0,0,0,0,0,0|2,0,2]=4 52 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,0,0,0,0,0|1,0,2]=3 53 B13R1.386 CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210202 [0,0,0,0,0,0|1,1,2]=4 54 B13R1.386 CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210202 [0,0,0,0,0,0|1,1,2]=4 55 B13R1.386 CCSc1ccc(c(n1)OC)OC 62a_100000210202_100010214848 [0,0,0,0,0,0|2,0,2]=4 56 B13R1.386 CCSc1cnc(c(c1)OC)OC 62a_100000210202_100010234541 [0,0,0,0,0,0|2,0,2]=4 57 B13R1.386 CCc1cc(ccc1OC)SCF 62a_100015361967_200010179862 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.386 CCc1cc(ccc1OC)SCF 62a_200010179862_100015361967 [0,0,0,0,0,0|3,0,1]=4 59 B13R1.386 CCc1ccc(cc1OC)SCF 62a_100015361967_200010710398 [0,0,0,0,0,0|3,0,1]=4 60 B13R1.386 CCc1ccc(cc1OC)SCF 62a_200010710398_100015361967 [0,0,0,0,0,0|3,0,1]=4 61 B13R1.386 CNCc1ccc(c(c1)CO)OC 207a_100102657272_100011361677 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.386 CNCc1ccc(c(c1)CO)OC 270004a_106832991635_100011361677 [0,0,0,0,0,0|3,0,1]=4 63 B13R1.386 CNCc1ccc(c(c1)OC)C#N 207a_100102657272_100000726430 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.386 CNCc1ccc(c(c1)OC)C#N 270004a_106832991635_100000726430 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,0,0,0,0,0|1,0,1]=2 66 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,0,0,0,0,0|1,0,1]=2 67 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,0,0,0,0,0|1,0,1]=2 68 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,0,0,0,0,0|1,0,1]=2 69 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,0,0,0,0,0|1,0,1]=2 70 B13R1.386 CNCc1ccc(c(c1)OC)SC 207a_100102657272_100000050949 [0,0,0,0,0,0|1,1,1]=3 71 B13R1.386 CNCc1ccc(c(c1)OC)SC 270004a_106832991635_100000050949 [0,0,0,0,0,0|1,1,1]=3 72 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,0,0,0,0,0|1,0,1]=2 73 B13R1.386 CNCc1cnc(c(c1)OC)OC 207a_100102657272_100000117638 [0,0,0,0,0,0|2,0,1]=3 74 B13R1.386 CNCc1cnc(c(c1)OC)OC 270004a_106832991635_100000117638 [0,0,0,0,0,0|2,0,1]=3 75 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,0,0,0,0,0|1,0,1]=2 76 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,0,0,0,0,0|1,0,1]=2 77 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,0,0,0,0,0|1,0,1]=2 78 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,0,0,0,0,0|1,0,1]=2 79 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,0,0,0,0,0|1,0,1]=2 80 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,0,0,0,0,0|1,0,1]=2 81 B13R1.386 COc1cc(ccc1SC)CC#N 62a_100010176002_200000210301 [0,0,0,0,0,0|1,1,1]=3 82 B13R1.386 COc1cc(ccc1SC)CC#N 62a_200000210301_100010176002 [0,0,0,0,0,0|1,1,1]=3 83 B13R1.386 COc1cc(ccc1SC)SCF 62a_200011001119_100015361967 [0,0,0,0,0,0|2,1,1]=4 84 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_100010176002_200025704644 [0,0,0,0,0,0|1,1,1]=3 85 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100010176002 [0,0,0,0,0,0|1,1,1]=3 86 B13R1.386 COc1cc(cnc1OC)SCF 62a_100015361967_100010234541 [0,0,0,0,0,0|3,0,1]=4 87 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,0,0,0,0,0|1,0,1]=2 88 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,0,0,0,0,0|1,0,1]=2 89 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,0,0,0,0,0|1,0,1]=2 90 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,0,0,0,0,0|1,0,1]=2 91 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,0,0,0,0,0|1,0,1]=2 92 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,0,0,0,0,0|1,0,1]=2 93 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,0,0,0,0,0|1,0,1]=2 94 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,0,0,0,0,0|1,0,1]=2 95 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,0,0,0,0,0|1,0,1]=2 96 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,0,0,0,0,0|1,0,1]=2 97 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,0,0,0,0,0|2,0,1]=3 98 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,0,0,0,0,0|2,0,1]=3 99 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,0,0,0,0,0|2,0,1]=3 100 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,0,0,0,0,0|1,0,1]=2 101 B13R1.386 COc1ccc(cc1SC)CC#N 62a_100011215974_200000210301 [0,0,0,0,0,0|1,1,1]=3 102 B13R1.386 COc1ccc(cc1SC)CC#N 62a_200000210301_100011215974 [0,0,0,0,0,0|1,1,1]=3 103 B13R1.386 COc1ccc(cc1SC)CCN 62a_103549771065_200000210301 [0,0,0,0,0,0|1,1,1]=3 104 B13R1.386 COc1ccc(cc1SC)CCN 62a_200000210301_103549771065 [0,0,0,0,0,0|1,1,1]=3 105 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [0,0,0,0,0,0|1,1,1]=3 106 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [0,0,0,0,0,0|1,1,1]=3 107 B13R1.386 COc1ccc(cc1SC)SCF 62a_200009892704_100015361967 [0,0,0,0,0,0|2,1,1]=4 108 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_100011215974_200025704644 [0,0,0,0,0,0|1,1,1]=3 109 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_200025704644_100011215974 [0,0,0,0,0,0|1,1,1]=3 110 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_103549771065_200025704644 [0,0,0,0,0,0|1,1,1]=3 111 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_200025704644_103549771065 [0,0,0,0,0,0|1,1,1]=3 112 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [0,0,0,0,0,0|1,1,1]=3 113 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [0,0,0,0,0,0|1,1,1]=3 114 B13R1.386 COc1ccc(nc1OC)SCF 62a_100015361967_100010214848 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.78 C=Cc1cc(c(cn1)C#N)OC 271570a_100011290941_100009830018 [1,0,0,0,0,0|3,0,0]=4 116 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [1,0,0,0,0,0|3,0,0]=4 117 B12R1.78 C=Cc1cc(c(nn1)OC)OC 271570a_100011290941_200000095610 [1,0,0,0,0,0|2,0,0]=3 118 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [1,0,0,0,0,0|2,0,1]=4 119 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [1,0,0,0,0,0|1,0,2]=4 120 B12R1.78 C=Cc1cc(ccc1OC)CN 271570a_100011290941_100159240714 [1,0,0,0,0,0|2,0,1]=4 121 B12R1.78 C=Cc1cc(ccc1OC)CO 271570a_100011290941_100000246451 [1,0,0,0,0,0|2,0,1]=4 122 B12R1.78 C=Cc1ccc(c(c1)C#N)NC 271570a_100011290941_100013037436 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [1,0,0,0,0,0|2,0,0]=3 124 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [1,0,0,0,0,0|2,0,0]=3 125 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [1,0,0,0,0,0|3,0,0]=4 126 B12R1.78 C=Cc1ccc(c(c1)CC)NN 271570a_100011290941_100000700371 [1,0,0,0,0,0|3,0,0]=4 127 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [1,0,0,0,0,0|1,0,0]=2 128 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [1,0,0,0,0,0|2,0,0]=3 129 B12R1.78 C=Cc1ccc(c(c1)CO)CC 271570a_100011290941_100010766240 [1,0,0,0,0,0|3,0,0]=4 130 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [1,0,0,0,0,0|2,0,0]=3 131 B12R1.78 C=Cc1ccc(c(c1)NC)C#N 271570a_100011290941_200012356631 [1,0,0,0,0,0|3,0,0]=4 132 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [1,0,0,0,0,0|2,0,0]=3 133 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [1,0,0,0,0,0|2,0,0]=3 134 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [1,0,0,0,0,0|1,0,0]=2 135 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [1,0,0,0,0,0|2,0,0]=3 136 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [1,0,0,0,0,0|0,0,0]=1 137 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [1,0,0,0,0,0|0,0,0]=1 138 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [1,0,0,0,0,0|0,0,0]=1 139 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [1,0,0,0,0,0|0,1,0]=2 140 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [1,0,0,0,0,0|0,1,0]=2 141 B12R1.78 C=Cc1ccc(c(n1)C#N)OC 271570a_100011290941_100011093937 [1,0,0,0,0,0|3,0,0]=4 142 B12R1.78 C=Cc1ccc(c(n1)OC)C#N 271570a_100011290941_100000708423 [1,0,0,0,0,0|3,0,0]=4 143 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [1,0,0,0,0,0|3,0,0]=4 144 B12R1.78 C=Cc1ccc(c(n1)OC)CN 271570a_100011290941_100015687481 [1,0,0,0,0,0|3,0,0]=4 145 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [1,0,0,0,0,0|3,0,0]=4 146 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [1,0,0,0,0,0|1,0,0]=2 147 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [1,0,0,0,0,0|2,0,1]=4 148 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [1,0,0,0,0,0|1,0,2]=4 149 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [1,0,0,0,0,0|2,0,1]=4 150 B12R1.78 C=Cc1cnc(c(c1)C#N)OC 271570a_100011290941_100011935052 [1,0,0,0,0,0|3,0,0]=4 151 B12R1.78 C=Cc1cnc(c(c1)C=O)OC 271570a_100011290941_100009814609 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.78 C=Cc1cnc(c(c1)CO)OC 271570a_100011290941_100000695684 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.78 C=Cc1cnc(c(c1)OC)C#N 271570a_100011290941_100000719880 [1,0,0,0,0,0|3,0,0]=4 154 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [1,0,0,0,0,0|1,0,0]=2 157 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [1,0,0,0,0,0|2,0,0]=3 158 B12R1.78 C=Cc1ncc(c(n1)OC)OC 271570a_100011290941_100010280452 [1,0,0,0,0,0|2,0,0]=3 159 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [1,0,0,0,0,0|2,0,1]=4 160 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [1,0,0,0,0,0|2,0,1]=4 163 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [1,0,0,0,0,0|1,0,1]=3 164 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [1,0,0,0,0,0|1,0,1]=3 165 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [1,0,0,0,0,0|1,0,1]=3 166 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [1,0,0,0,0,0|1,0,1]=3 167 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [1,0,0,0,0,0|0,0,1]=2 168 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [1,0,0,0,0,0|0,0,1]=2 169 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [1,0,0,0,0,0|0,0,1]=2 170 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [1,0,0,0,0,0|0,0,1]=2 171 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [1,0,0,0,0,0|0,0,1]=2 172 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [1,0,0,0,0,0|0,0,1]=2 173 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [1,0,0,0,0,0|0,1,1]=3 174 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [1,0,0,0,0,0|0,1,1]=3 175 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [1,0,0,0,0,0|0,1,1]=3 176 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [1,0,0,0,0,0|0,1,1]=3 177 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [1,0,0,0,0,0|0,0,1]=2 178 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [1,0,0,0,0,0|0,0,1]=2 179 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [1,0,0,0,0,0|0,1,1]=3 180 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [1,0,0,0,0,0|0,1,1]=3 181 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [1,0,0,0,0,0|0,1,1]=3 182 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [1,0,0,0,0,0|0,1,1]=3 183 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [1,0,0,0,0,0|2,0,1]=4 184 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [1,0,0,0,0,0|2,0,1]=4 185 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [1,0,0,0,0,0|2,0,1]=4 186 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [1,0,0,0,0,0|2,0,1]=4 187 B12R1.78 CNc1cc(ccc1OC)C#N 34a_100000747721_200000210301 [1,0,0,0,0,0|2,0,1]=4 188 B12R1.78 CNc1cc(ccc1OC)C#N 7a_100000747721_200000210301 [1,0,0,0,0,0|2,0,1]=4 189 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [1,0,0,0,0,0|2,0,0]=3 190 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [1,0,0,0,0,0|2,0,0]=3 191 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [1,0,0,0,0,0|2,0,1]=4 192 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [1,0,0,0,0,0|1,0,1]=3 194 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [1,0,0,0,0,0|1,1,1]=4 195 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [1,0,0,0,0,0|1,1,1]=4 196 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [1,0,0,0,0,0|1,1,1]=4 197 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [1,0,0,0,0,0|1,1,1]=4 198 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [1,0,0,0,0,0|2,0,1]=4 199 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [1,0,0,0,0,0|2,0,0]=3 200 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [1,0,0,0,0,0|2,0,0]=3 201 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [1,0,0,0,0,0|2,0,1]=4 204 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [1,0,0,0,0,0|2,0,1]=4 205 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [1,0,0,0,0,0|2,1,0]=4 206 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [1,0,0,0,0,0|2,1,0]=4 207 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [1,0,0,0,0,0|2,1,0]=4 208 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [1,0,0,0,0,0|2,1,0]=4 209 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [1,0,0,0,0,0|3,0,0]=4 210 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [1,0,0,0,0,0|2,0,1]=4 211 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [1,0,0,0,0,0|2,0,0]=3 212 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [1,0,0,0,0,0|2,0,0]=3 213 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [1,0,0,0,0,0|2,0,1]=4 214 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [1,0,0,0,0,0|2,0,1]=4 215 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [1,0,0,0,0,0|1,0,1]=3 216 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [1,0,0,0,0,0|1,0,1]=3 217 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [1,0,0,0,0,0|1,0,0]=2 218 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [1,0,0,0,0,0|1,1,1]=4 219 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [1,0,0,0,0,0|1,1,0]=3 220 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [1,0,0,0,0,0|1,1,0]=3 221 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [1,0,0,0,0,0|1,1,0]=3 222 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [1,0,0,0,0,0|1,1,0]=3 223 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [1,0,0,0,0,0|1,1,1]=4 224 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [1,0,0,0,0,0|1,1,1]=4 225 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [1,0,0,0,0,0|1,1,1]=4 226 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [1,0,0,0,0,0|1,1,0]=3 227 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [1,0,0,0,0,0|1,1,0]=3 228 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [1,0,0,0,0,0|1,1,0]=3 229 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [1,0,0,0,0,0|1,1,0]=3 230 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [1,0,0,0,0,0|2,0,1]=4 231 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [1,0,0,0,0,0|2,0,1]=4 232 B12R1.78 COc1cc(ncc1SC)CO 62a_100010999569_200000210301 [1,0,0,0,0,0|2,1,0]=4 233 B12R1.78 COc1cc(ncc1SC)CO 62a_200000210301_100010999569 [1,0,0,0,0,0|2,1,0]=4 234 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_100010999569_200025704644 [1,0,0,0,0,0|2,1,0]=4 235 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_200025704644_100010999569 [1,0,0,0,0,0|2,1,0]=4 236 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [1,0,0,0,0,0|2,0,1]=4 239 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [1,0,0,0,0,0|2,0,1]=4 240 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [1,0,0,0,0,0|1,0,1]=3 241 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [1,0,0,0,0,0|1,0,1]=3 242 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [1,0,0,0,0,0|1,0,1]=3 243 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [1,0,0,0,0,0|1,0,1]=3 244 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [1,0,0,0,0,0|1,1,1]=4 245 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [1,0,0,0,0,0|1,1,1]=4 246 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [1,0,0,0,0,0|1,1,1]=4 247 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [1,0,0,0,0,0|1,1,1]=4 248 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [1,0,0,0,0,0|1,0,1]=3 249 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [1,0,0,0,0,0|1,1,1]=4 250 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [1,0,0,0,0,0|1,1,1]=4 251 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [1,0,0,0,0,0|1,1,1]=4 252 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [1,0,0,0,0,0|1,1,1]=4 253 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.78 COc1ccc(cc1N[13CH3])C#N 34a_100000747721_200025704644 [1,0,0,0,0,0|2,0,1]=4 256 B12R1.78 COc1ccc(cc1N[13CH3])C#N 7a_100000747721_200025704644 [1,0,0,0,0,0|2,0,1]=4 257 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [1,0,0,0,0,0|2,0,0]=3 258 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [1,0,0,0,0,0|2,0,0]=3 259 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [1,0,0,0,0,0|1,0,1]=3 260 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [1,0,0,0,0,0|1,0,1]=3 261 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [1,0,0,0,0,0|1,0,1]=3 262 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [1,0,0,0,0,0|1,0,1]=3 263 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [1,0,0,0,0,0|1,0,0]=2 264 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [1,0,0,0,0,0|1,0,0]=2 265 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [1,0,0,0,0,0|1,0,0]=2 266 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [1,0,0,0,0,0|1,0,1]=3 267 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [1,0,0,0,0,0|1,0,1]=3 268 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [1,0,0,0,0,0|1,0,1]=3 269 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [1,0,0,0,0,0|1,0,1]=3 270 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [1,0,0,0,0,0|1,0,1]=3 271 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [1,0,0,0,0,0|1,0,1]=3 272 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [1,0,0,0,0,0|1,0,0]=2 273 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [1,0,0,0,0,0|1,0,0]=2 274 B12R1.78 COc1ccc(cc1SC)C#N 62a_200000210301_100000188253 [1,0,0,0,0,0|1,1,1]=4 275 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [1,0,0,0,0,0|1,1,0]=3 276 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [1,0,0,0,0,0|1,1,0]=3 277 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [1,0,0,0,0,0|1,1,0]=3 278 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [1,0,0,0,0,0|1,1,0]=3 279 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [1,0,0,0,0,0|1,1,0]=3 280 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [1,0,0,0,0,0|1,1,0]=3 281 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [1,0,0,0,0,0|1,1,1]=4 282 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [1,0,0,0,0,0|1,1,1]=4 283 B12R1.78 COc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000188253 [1,0,0,0,0,0|1,1,1]=4 284 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [1,0,0,0,0,0|1,1,0]=3 285 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [1,0,0,0,0,0|1,1,0]=3 286 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [1,0,0,0,0,0|1,1,0]=3 287 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [1,0,0,0,0,0|1,1,0]=3 288 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [1,0,0,0,0,0|1,1,0]=3 289 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [1,0,0,0,0,0|1,1,0]=3 290 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [1,0,0,0,0,0|2,0,1]=4 291 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [1,0,0,0,0,0|2,0,1]=4 292 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [1,0,0,0,0,0|2,1,0]=4 293 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [1,0,0,0,0,0|2,1,0]=4 294 B12R1.78 COc1ccc(nc1SC)CO 62a_100009842956_200000210301 [1,0,0,0,0,0|2,1,0]=4 295 B12R1.78 COc1ccc(nc1SC)CO 62a_200000210301_100009842956 [1,0,0,0,0,0|2,1,0]=4 296 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [1,0,0,0,0,0|2,1,0]=4 297 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [1,0,0,0,0,0|2,1,0]=4 298 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_100009842956_200025704644 [1,0,0,0,0,0|2,1,0]=4 299 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_200025704644_100009842956 [1,0,0,0,0,0|2,1,0]=4 300 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [1,0,0,0,0,0|2,1,0]=4 301 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [1,0,0,0,0,0|2,1,0]=4 302 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [1,0,0,0,0,0|2,1,0]=4 303 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [1,0,0,0,0,0|2,1,0]=4 304 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [1,0,0,0,0,0|2,1,0]=4 305 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [1,0,0,0,0,0|2,1,0]=4 306 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [1,0,0,0,0,0|2,1,0]=4 307 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [1,0,0,0,0,0|2,1,0]=4 308 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [1,0,0,0,0,0|3,0,0]=4 309 B12R1.286 C=C=Cc1cc(c(cn1)C)OC 271570a_100015277604_100010067687 [1,0,0,0,0,0|1,0,2]=4 310 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [1,0,0,0,0,0|1,0,2]=4 311 B12R1.286 C=C=Cc1ccc(c(c1)NC)C 271570a_100015277604_100020629602 [1,0,0,0,0,0|1,0,2]=4 312 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [1,0,0,0,0,0|1,0,2]=4 313 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [1,0,0,0,0,0|0,0,2]=3 314 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [1,0,0,0,0,0|1,0,2]=4 315 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [1,0,0,0,0,0|1,0,2]=4 316 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [1,0,0,0,0,0|1,0,2]=4 317 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [1,0,0,0,0,0|0,0,2]=3 318 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [1,0,0,0,0,0|1,0,2]=4 319 B12R1.286 C=C=Cc1cnc(c(c1)OC)C 271570a_100015277604_100010254219 [1,0,0,0,0,0|1,0,2]=4 320 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [1,0,0,0,0,0|1,0,2]=4 321 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [1,0,0,0,0,0|1,0,2]=4 322 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [1,0,0,0,0,0|1,0,2]=4 323 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [1,0,0,0,0,0|1,0,2]=4 324 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [1,0,0,0,0,0|0,0,2]=3 325 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [1,0,0,0,0,0|1,0,2]=4 326 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [1,0,0,0,0,0|1,0,2]=4 327 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [1,0,0,0,0,0|1,0,2]=4 328 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [1,0,0,0,0,0|0,0,2]=3 329 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [1,0,0,0,0,0|1,0,2]=4 330 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [1,0,0,0,0,0|1,0,2]=4 331 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [1,0,0,0,0,0|1,0,2]=4 332 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [1,0,0,0,0,0|1,0,2]=4 333 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [1,0,0,0,0,0|1,0,2]=4 334 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [1,0,0,0,0,0|1,0,2]=4 335 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [1,0,0,0,0,0|1,0,2]=4 336 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [1,0,0,0,0,0|1,0,2]=4 337 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [1,0,0,0,0,0|1,0,2]=4 338 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [1,0,0,0,0,0|1,0,2]=4 339 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [1,0,0,0,0,0|2,0,1]=4 340 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [1,0,0,0,0,0|2,0,1]=4 341 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [1,0,0,0,0,0|2,0,1]=4 342 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [1,0,0,0,0,0|2,0,1]=4 343 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [1,0,0,0,0,0|2,0,1]=4 344 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [1,0,0,0,0,0|2,0,1]=4 345 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [1,0,0,0,0,0|1,0,1]=3 346 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [1,0,0,0,0,0|1,0,1]=3 347 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [1,0,0,0,0,0|2,0,1]=4 348 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [1,0,0,0,0,0|2,0,1]=4 349 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [1,0,0,0,0,0|2,0,1]=4 350 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [1,0,0,0,0,0|2,0,1]=4 351 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [1,0,0,0,0,0|2,0,1]=4 352 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [1,0,0,0,0,0|2,0,1]=4 353 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [1,0,0,0,0,0|2,0,1]=4 354 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [1,0,0,0,0,0|2,0,1]=4 355 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [1,0,0,0,0,0|2,0,1]=4 356 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [1,0,0,0,0,0|2,0,1]=4 357 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [1,0,0,0,0,0|2,0,1]=4 358 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [1,0,0,0,0,0|2,0,1]=4 359 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [1,0,0,0,0,0|2,0,1]=4 360 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [1,0,0,0,0,0|2,0,1]=4 361 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [1,0,0,0,0,0|2,0,1]=4 362 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [1,0,0,0,0,0|1,0,1]=3 363 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [1,0,0,0,0,0|2,0,1]=4 364 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [1,0,0,0,0,0|2,0,1]=4 365 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [1,0,0,0,0,0|2,0,1]=4 366 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [1,0,0,0,0,0|1,0,1]=3 367 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [1,0,0,0,0,0|1,0,1]=3 368 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [1,0,0,0,0,0|2,0,1]=4 369 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [1,0,0,0,0,0|2,0,1]=4 370 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [1,0,0,0,0,0|2,0,1]=4 371 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [1,0,0,0,0,0|2,0,1]=4 372 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [1,0,0,0,0,0|2,0,1]=4 373 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [1,0,0,0,0,0|2,0,1]=4 374 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [1,0,0,0,0,0|1,1,1]=4 375 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [1,0,0,0,0,0|1,1,1]=4 376 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [1,0,0,0,0,0|1,1,1]=4 377 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [1,0,0,0,0,0|1,1,1]=4 378 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [1,0,0,0,0,0|2,0,1]=4 379 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [1,0,0,0,0,0|2,0,1]=4 380 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [1,0,0,0,0,0|2,0,1]=4 381 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [1,0,0,0,0,0|2,0,1]=4 382 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [1,0,0,0,0,0|2,0,1]=4 383 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [1,0,0,0,0,0|2,0,1]=4 384 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [1,0,0,0,0,0|1,0,1]=3 385 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [1,0,0,0,0,0|1,0,1]=3 386 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [1,0,0,0,0,0|2,0,1]=4 387 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [1,0,0,0,0,0|2,0,1]=4 388 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [1,0,0,0,0,0|2,0,1]=4 389 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [1,0,0,0,0,0|2,0,1]=4 390 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [1,0,0,0,0,0|2,0,1]=4 391 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [1,0,0,0,0,0|2,0,1]=4 392 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [1,0,0,0,0,0|2,0,1]=4 393 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [1,0,0,0,0,0|2,0,1]=4 394 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [1,0,0,0,0,0|2,0,1]=4 395 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [1,0,0,0,0,0|2,0,1]=4 396 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [1,0,0,0,0,0|2,0,1]=4 397 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [1,0,0,0,0,0|2,0,1]=4 398 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [1,0,0,0,0,0|2,0,1]=4 400 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [1,0,0,0,0,0|2,0,1]=4 401 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [1,0,0,0,0,0|2,0,1]=4 402 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [1,0,0,0,0,0|2,0,1]=4 403 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [1,0,0,0,0,0|2,0,1]=4 404 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [1,0,0,0,0,0|2,0,1]=4 406 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [1,0,0,0,0,0|2,0,1]=4 407 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [1,0,0,0,0,0|1,0,1]=3 408 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [1,0,0,0,0,0|1,0,1]=3 409 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [1,0,0,0,0,0|2,0,1]=4 410 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [1,0,0,0,0,0|2,0,1]=4 411 B12R1.288 C=C=Cc1cc(c(cn1)OC)O 271570a_100015277604_100010264082 [1,0,0,0,0,0|1,0,2]=4 412 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [1,0,0,0,0,0|1,0,2]=4 413 B12R1.288 C=C=Cc1ccc(c(c1)C)NC 271570a_100015277604_100000221803 [1,0,0,0,0,0|1,0,2]=4 414 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [1,0,0,0,0,0|0,0,2]=3 415 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [1,0,0,0,0,0|1,0,2]=4 416 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [1,0,0,0,0,0|1,0,2]=4 417 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [1,0,0,0,0,0|1,0,2]=4 418 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [1,0,0,0,0,0|0,0,2]=3 419 B12R1.288 C=C=Cc1ccc(c(n1)C)OC 271570a_100015277604_100010244750 [1,0,0,0,0,0|1,0,2]=4 420 B12R1.288 C=C=Cc1cnc(c(c1)C)OC 271570a_100015277604_100011290809 [1,0,0,0,0,0|1,0,2]=4 421 B12R1.288 C=C=Cc1cnc(c(c1)O)OC 271570a_100015277604_100010135713 [1,0,0,0,0,0|1,0,2]=4 422 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [1,0,0,0,0,0|1,0,2]=4 423 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [1,0,0,0,0,0|1,0,2]=4 424 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [1,0,0,0,0,0|1,0,2]=4 425 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,0,0,0,0,0|0,0,2]=3 426 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [1,0,0,0,0,0|1,0,2]=4 427 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [1,0,0,0,0,0|1,0,2]=4 428 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [1,0,0,0,0,0|1,0,2]=4 429 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,0,0,0,0,0|0,0,2]=3 430 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [1,0,0,0,0,0|1,0,2]=4 431 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [1,0,0,0,0,0|1,0,2]=4 432 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [1,0,0,0,0,0|1,0,2]=4 433 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [1,0,0,0,0,0|1,0,2]=4 434 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [1,0,0,0,0,0|1,0,2]=4 435 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [1,0,0,0,0,0|1,0,2]=4 436 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [1,0,0,0,0,0|1,0,2]=4 437 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [1,0,0,0,0,0|1,0,2]=4 438 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [1,0,0,0,0,0|1,0,2]=4 439 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [1,0,0,0,0,0|1,0,2]=4 440 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [1,0,0,0,0,0|1,0,2]=4 441 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [1,0,0,0,0,0|1,0,2]=4 442 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [1,0,0,0,0,0|2,0,1]=4 443 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [1,0,0,0,0,0|2,0,1]=4 444 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [1,0,0,0,0,0|2,0,1]=4 445 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [1,0,0,0,0,0|2,0,1]=4 446 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [1,0,0,0,0,0|2,0,1]=4 447 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [1,0,0,0,0,0|2,0,1]=4 448 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [1,0,0,0,0,0|2,0,1]=4 449 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [1,0,0,0,0,0|1,0,1]=3 450 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [1,0,0,0,0,0|1,0,1]=3 451 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [1,0,0,0,0,0|1,0,1]=3 452 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [1,0,0,0,0,0|1,0,1]=3 453 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [1,0,0,0,0,0|1,0,1]=3 454 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [1,0,0,0,0,0|1,0,1]=3 455 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [1,0,0,0,0,0|1,0,1]=3 456 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [1,0,0,0,0,0|2,0,1]=4 457 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [1,0,0,0,0,0|2,0,1]=4 458 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [1,0,0,0,0,0|2,0,1]=4 459 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [1,0,0,0,0,0|2,0,1]=4 460 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [1,0,0,0,0,0|2,0,1]=4 461 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [1,0,0,0,0,0|2,0,1]=4 462 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [1,0,0,0,0,0|2,0,1]=4 463 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [1,0,0,0,0,0|2,0,1]=4 464 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [1,0,0,0,0,0|2,0,1]=4 465 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [1,0,0,0,0,0|2,0,1]=4 466 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [1,0,0,0,0,0|2,0,1]=4 467 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [1,0,0,0,0,0|2,0,1]=4 468 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [1,0,0,0,0,0|2,0,1]=4 469 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [1,0,0,0,0,0|2,0,1]=4 470 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [1,0,0,0,0,0|2,0,1]=4 471 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [1,0,0,0,0,0|2,0,1]=4 472 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [1,0,0,0,0,0|2,0,1]=4 473 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,0,0,0,0,0|1,0,1]=3 474 B12R1.288 CNCc1cnc(c(c1)C)OC 207a_100102657272_100012183433 [1,0,0,0,0,0|2,0,1]=4 475 B12R1.288 CNCc1cnc(c(c1)C)OC 270004a_106832991635_100012183433 [1,0,0,0,0,0|2,0,1]=4 476 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [1,0,0,0,0,0|2,0,1]=4 477 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [1,0,0,0,0,0|2,0,1]=4 478 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [1,0,0,0,0,0|2,0,1]=4 479 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [1,0,0,0,0,0|1,0,1]=3 480 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [1,0,0,0,0,0|1,0,1]=3 481 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [1,0,0,0,0,0|1,0,1]=3 482 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [1,0,0,0,0,0|2,0,1]=4 483 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [1,0,0,0,0,0|2,0,1]=4 484 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [1,0,0,0,0,0|2,0,1]=4 485 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [1,0,0,0,0,0|2,0,1]=4 486 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [1,0,0,0,0,0|2,0,1]=4 487 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [1,0,0,0,0,0|2,0,1]=4 488 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [1,0,0,0,0,0|2,0,1]=4 489 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [1,0,0,0,0,0|2,0,1]=4 490 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [1,0,0,0,0,0|2,0,1]=4 491 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [1,0,0,0,0,0|2,0,1]=4 492 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [1,0,0,0,0,0|2,0,1]=4 493 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [1,0,0,0,0,0|2,0,1]=4 494 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [1,0,0,0,0,0|2,0,1]=4 495 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [1,0,0,0,0,0|2,0,1]=4 496 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [1,0,0,0,0,0|2,0,1]=4 497 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [1,0,0,0,0,0|2,0,1]=4 498 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [1,0,0,0,0,0|1,0,1]=3 499 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [1,0,0,0,0,0|1,0,1]=3 500 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [1,0,0,0,0,0|1,0,1]=3 501 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [1,0,0,0,0,0|1,0,1]=3 502 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [1,0,0,0,0,0|1,0,1]=3 503 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [1,0,0,0,0,0|1,0,1]=3 504 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [1,0,0,0,0,0|1,0,1]=3 505 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [1,0,0,0,0,0|1,0,1]=3 506 B12R1.288 COc1ccc(cc1C)NCF 34a_100000743268_100015361967 [1,0,0,0,0,0|2,0,1]=4 507 B12R1.288 COc1ccc(cc1C)NCF 7a_100000743268_100015361967 [1,0,0,0,0,0|2,0,1]=4 508 B12R1.288 COc1ccc(cc1C)OCF 34a_100000759738_100015361967 [1,0,0,0,0,0|2,0,1]=4 509 B12R1.288 COc1ccc(cc1C)OCF 7a_100000759738_100015361967 [1,0,0,0,0,0|2,0,1]=4 510 B12R1.288 COc1ccc(cc1C)SCF 62a_100011219705_100015361967 [1,0,0,0,0,0|2,0,1]=4 511 B12R1.288 COc1ccc(cc1C)SCF 62a_100015361967_100011219705 [1,0,0,0,0,0|2,0,1]=4 512 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [1,0,0,0,0,0|2,0,1]=4 513 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [1,0,0,0,0,0|2,0,1]=4 514 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [1,0,0,0,0,0|2,0,1]=4 515 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [1,0,0,0,0,0|2,0,1]=4 516 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [1,0,0,0,0,0|2,0,1]=4 517 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [1,0,0,0,0,0|2,0,1]=4 518 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [1,0,0,0,0,0|2,0,1]=4 519 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [1,0,0,0,0,0|2,0,1]=4 520 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [1,0,0,0,0,0|2,0,1]=4 521 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [1,0,0,0,0,0|2,0,1]=4 522 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [1,0,0,0,0,0|2,0,1]=4 523 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [1,0,0,0,0,0|2,0,1]=4 524 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [1,0,0,0,0,0|2,0,1]=4 525 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [1,0,0,0,0,0|2,0,1]=4 526 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [1,0,0,0,0,0|2,0,1]=4 527 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [1,0,0,0,0,0|2,0,1]=4 528 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [1,0,0,0,0,0|2,0,1]=4 529 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [1,0,0,0,0,0|2,0,1]=4 530 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [1,0,0,0,0,0|2,0,1]=4 531 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [1,0,0,0,0,0|1,0,1]=3 532 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [1,0,0,0,0,0|1,0,1]=3 533 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [1,0,0,0,0,0|1,0,1]=3 534 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,0,0,0,0,0|1,0,1]=3 535 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [1,0,0,0,0,0|2,0,1]=4 536 B12R1.288 COc1ccc(cc1O)SCF 62a_100015361967_100009816560 [1,0,0,0,0,0|2,0,1]=4 537 B12R1.288 CSc1ccc(cc1C)CC#N 62a_100000726167_200000210301 [1,0,0,0,0,0|1,1,1]=4 538 B12R1.288 CSc1ccc(cc1C)CC#N 62a_200000210301_100000726167 [1,0,0,0,0,0|1,1,1]=4 539 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_100000726167_200025704644 [1,0,0,0,0,0|1,1,1]=4 540 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100000726167 [1,0,0,0,0,0|1,1,1]=4 541 B14R1.492 C=C(C)c1ccc(cc1OC)CC#N 271570a_100000694244_100010176002 [0,1,0,0,0,0|2,0,1]=4 542 B14R1.492 C=C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100015277604_100000709911 [0,1,0,0,0,0|1,0,2]=4 543 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)C 271570a_100016259895_100000709911 [0,1,0,0,0,0|1,0,2]=4 544 B14R1.793 C#CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000184674 [0,1,0,0,0,0|0,0,2]=3 545 B14R1.793 C#CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000184674 [0,1,0,0,0,0|0,0,2]=3 546 B14R1.793 C#CCSc1ccc(c(c1)CC)OC 62a_100000038162_200010179862 [0,1,0,0,0,0|1,0,2]=4 547 B14R1.793 C#CCSc1ccc(c(c1)OC)CC 62a_100000038162_200010710398 [0,1,0,0,0,0|1,0,2]=4 548 B14R1.793 C#CCSc1ccc(c(c1)OC)OC 62a_100000038162_100011356967 [0,1,0,0,0,0|0,0,2]=3 549 B14R1.793 C#CCSc1ccc(c(n1)OC)OC 62a_100000038162_100010214848 [0,1,0,0,0,0|1,0,2]=4 550 B14R1.793 C#CCSc1cnc(c(c1)OC)OC 62a_100000038162_100010234541 [0,1,0,0,0,0|1,0,2]=4 551 B14R1.793 C=CCNc1cc(c(cn1)C#N)OC 27a_100020586998_100009830018 [0,1,0,0,0,0|3,0,0]=4 552 B14R1.793 C=CCNc1ccc(c(c1)C#N)OC 34a_100011204338_100015514636 [0,1,0,0,0,0|2,0,0]=3 553 B14R1.793 C=CCNc1ccc(c(c1)C#N)OC 7a_100011204338_100015514636 [0,1,0,0,0,0|2,0,0]=3 554 B14R1.793 C=CCNc1ccc(c(c1)OC)C#N 34a_100011999456_100015514636 [0,1,0,0,0,0|2,0,0]=3 555 B14R1.793 C=CCNc1ccc(c(c1)OC)CO 34a_100012183141_100015514636 [0,1,0,0,0,0|2,0,0]=3 556 B14R1.793 C=CCNc1ccc(c(c1)OC)OC 34a_100000187404_100015514636 [0,1,0,0,0,0|0,0,0]=1 557 B14R1.793 C=CCNc1ccc(c(n1)OC)C#N 27a_100020586998_100010136633 [0,1,0,0,0,0|3,0,0]=4 558 B14R1.793 C=CCOc1ccc(c(c1)OC)CO 34a_200000116926_100015514636 [0,1,0,0,0,0|2,0,0]=3 559 B14R1.793 C=CCOc1ccc(c(c1)OC)OC 34a_100000039706_100015514636 [0,1,0,0,0,0|0,0,0]=1 560 B14R1.793 C=CCSc1cc(c(cn1)C#N)OC 62a_100000210623_100009830018 [0,1,0,0,0,0|3,0,0]=4 561 B14R1.793 C=CCSc1cc(c(cn1)C=O)OC 62a_100000210623_100009846838 [0,1,0,0,0,0|3,0,0]=4 562 B14R1.793 C=CCSc1cc(c(cn1)C=O)OC 62a_100009846838_100000210623 [0,1,0,0,0,0|3,0,0]=4 563 B14R1.793 C=CCSc1cc(c(cn1)CO)OC 62a_100000210623_100010714672 [0,1,0,0,0,0|3,0,0]=4 564 B14R1.793 C=CCSc1cc(c(cn1)CO)OC 62a_100010714672_100000210623 [0,1,0,0,0,0|3,0,0]=4 565 B14R1.793 C=CCSc1cc(c(nn1)OC)OC 62a_100000210623_200000095610 [0,1,0,0,0,0|2,0,0]=3 566 B14R1.793 C=CCSc1ccc(c(c1)C#N)NC 62a_100000210623_100013037436 [0,1,0,0,0,0|3,0,0]=4 567 B14R1.793 C=CCSc1ccc(c(c1)C#N)OC 62a_100000210623_100000188252 [0,1,0,0,0,0|2,0,0]=3 568 B14R1.793 C=CCSc1ccc(c(c1)C=O)OC 62a_100000170026_100000210623 [0,1,0,0,0,0|2,0,0]=3 569 B14R1.793 C=CCSc1ccc(c(c1)C=O)OC 62a_100000210623_100000170026 [0,1,0,0,0,0|2,0,0]=3 570 B14R1.793 C=CCSc1ccc(c(c1)CC)C=O 62a_100000210623_100010209654 [0,1,0,0,0,0|3,0,0]=4 571 B14R1.793 C=CCSc1ccc(c(c1)CC)C=O 62a_100010209654_100000210623 [0,1,0,0,0,0|3,0,0]=4 572 B14R1.793 C=CCSc1ccc(c(c1)CC)NN 62a_100000210623_100000700371 [0,1,0,0,0,0|3,0,0]=4 573 B14R1.793 C=CCSc1ccc(c(c1)CC)NN 62a_100000700371_100000210623 [0,1,0,0,0,0|3,0,0]=4 574 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_100000210623_200010179862 [0,1,0,0,0,0|1,0,0]=2 575 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210623 [0,1,0,0,0,0|1,0,0]=2 576 B14R1.793 C=CCSc1ccc(c(c1)CN)OC 62a_100000210623_100000690498 [0,1,0,0,0,0|2,0,0]=3 577 B14R1.793 C=CCSc1ccc(c(c1)CN)OC 62a_100000690498_100000210623 [0,1,0,0,0,0|2,0,0]=3 578 B14R1.793 C=CCSc1ccc(c(c1)CO)CC 62a_100000210623_100010766240 [0,1,0,0,0,0|3,0,0]=4 579 B14R1.793 C=CCSc1ccc(c(c1)CO)CC 62a_100010766240_100000210623 [0,1,0,0,0,0|3,0,0]=4 580 B14R1.793 C=CCSc1ccc(c(c1)CO)OC 62a_100000204679_100000210623 [0,1,0,0,0,0|2,0,0]=3 581 B14R1.793 C=CCSc1ccc(c(c1)CO)OC 62a_100000210623_100000204679 [0,1,0,0,0,0|2,0,0]=3 582 B14R1.793 C=CCSc1ccc(c(c1)NC)C#N 62a_100000210623_200012356631 [0,1,0,0,0,0|3,0,0]=4 583 B14R1.793 C=CCSc1ccc(c(c1)OC)C#N 62a_100000210623_100000694671 [0,1,0,0,0,0|2,0,0]=3 584 B14R1.793 C=CCSc1ccc(c(c1)OC)C=O 62a_100000210623_100010290300 [0,1,0,0,0,0|2,0,0]=3 585 B14R1.793 C=CCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000210623 [0,1,0,0,0,0|2,0,0]=3 586 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_100000210623_200010710398 [0,1,0,0,0,0|1,0,0]=2 587 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210623 [0,1,0,0,0,0|1,0,0]=2 588 B14R1.793 C=CCSc1ccc(c(c1)OC)CO 62a_100000210623_100011277633 [0,1,0,0,0,0|2,0,0]=3 589 B14R1.793 C=CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210623 [0,1,0,0,0,0|2,0,0]=3 590 B14R1.793 C=CCSc1ccc(c(c1)OC)OC 62a_100000210623_100011356967 [0,1,0,0,0,0|0,0,0]=1 591 B14R1.793 C=CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210623 [0,1,0,0,0,0|0,1,0]=2 592 B14R1.793 C=CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210623 [0,1,0,0,0,0|0,1,0]=2 593 B14R1.793 C=CCSc1ccc(c(n1)C#N)OC 62a_100000210623_100011093937 [0,1,0,0,0,0|3,0,0]=4 594 B14R1.793 C=CCSc1ccc(c(n1)C=O)OC 62a_200010137984_100000210623 [0,1,0,0,0,0|3,0,0]=4 595 B14R1.793 C=CCSc1ccc(c(n1)OC)C#N 62a_100000210623_100000708423 [0,1,0,0,0,0|3,0,0]=4 596 B14R1.793 C=CCSc1ccc(c(n1)OC)C=O 62a_100000210623_100009864722 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.793 C=CCSc1ccc(c(n1)OC)C=O 62a_100009864722_100000210623 [0,1,0,0,0,0|3,0,0]=4 598 B14R1.793 C=CCSc1ccc(c(n1)OC)CN 62a_100000210623_100015687481 [0,1,0,0,0,0|3,0,0]=4 599 B14R1.793 C=CCSc1ccc(c(n1)OC)CN 62a_100015687481_100000210623 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.793 C=CCSc1ccc(c(n1)OC)CO 62a_100000210623_100010988397 [0,1,0,0,0,0|3,0,0]=4 601 B14R1.793 C=CCSc1ccc(c(n1)OC)CO 62a_100010988397_100000210623 [0,1,0,0,0,0|3,0,0]=4 602 B14R1.793 C=CCSc1ccc(c(n1)OC)OC 62a_100000210623_100010214848 [0,1,0,0,0,0|1,0,0]=2 603 B14R1.793 C=CCSc1cnc(c(c1)C#N)OC 62a_100000210623_100011935052 [0,1,0,0,0,0|3,0,0]=4 604 B14R1.793 C=CCSc1cnc(c(c1)C=O)OC 62a_100000210623_100009814609 [0,1,0,0,0,0|3,0,0]=4 605 B14R1.793 C=CCSc1cnc(c(c1)C=O)OC 62a_100009814609_100000210623 [0,1,0,0,0,0|3,0,0]=4 606 B14R1.793 C=CCSc1cnc(c(c1)CO)OC 62a_100000210623_100000695684 [0,1,0,0,0,0|3,0,0]=4 607 B14R1.793 C=CCSc1cnc(c(c1)CO)OC 62a_100000695684_100000210623 [0,1,0,0,0,0|3,0,0]=4 608 B14R1.793 C=CCSc1cnc(c(c1)OC)C#N 62a_100000210623_100000719880 [0,1,0,0,0,0|3,0,0]=4 609 B14R1.793 C=CCSc1cnc(c(c1)OC)C=O 62a_100000210623_100010246152 [0,1,0,0,0,0|3,0,0]=4 610 B14R1.793 C=CCSc1cnc(c(c1)OC)C=O 62a_100010246152_100000210623 [0,1,0,0,0,0|3,0,0]=4 611 B14R1.793 C=CCSc1cnc(c(c1)OC)CO 62a_100000210623_200010246159 [0,1,0,0,0,0|3,0,0]=4 612 B14R1.793 C=CCSc1cnc(c(c1)OC)CO 62a_200010246159_100000210623 [0,1,0,0,0,0|3,0,0]=4 613 B14R1.793 C=CCSc1cnc(c(c1)OC)OC 62a_100000210623_100010234541 [0,1,0,0,0,0|1,0,0]=2 614 B14R1.793 C=CCSc1cnc(c(n1)OC)OC 62a_100000210623_100010132954 [0,1,0,0,0,0|2,0,0]=3 615 B14R1.793 C=CCSc1cnc(c(n1)OC)OC 62a_100010132954_100000210623 [0,1,0,0,0,0|2,0,0]=3 616 B14R1.793 C=CCSc1ncc(c(n1)OC)OC 62a_100000210623_100010280452 [0,1,0,0,0,0|2,0,0]=3 617 B14R1.793 CC=NNc1ccc(c(c1)OC)OC 4a_100000071703_200000210099 [0,1,0,0,0,0|1,0,1]=3 618 B14R1.793 CCCCc1ccc(c(c1)CC)OC 271570a_100020621405_200010179862 [0,1,0,0,0,0|1,0,2]=4 619 B14R1.793 CCCCc1ccc(c(c1)OC)CC 271570a_100020621405_200010710398 [0,1,0,0,0,0|1,0,2]=4 620 B14R1.793 CCCCc1ccc(c(c1)OC)OC 271570a_100020621405_100000187503 [0,1,0,0,0,0|0,0,2]=3 621 B14R1.793 CCCCc1ccc(c(c1)OC)SC 271570a_100020621405_200011001119 [0,1,0,0,0,0|0,1,2]=4 622 B14R1.793 CCCCc1ccc(c(c1)SC)OC 271570a_100020621405_200009892704 [0,1,0,0,0,0|0,1,2]=4 623 B14R1.793 CCCCc1ccc(c(n1)OC)OC 271570a_100020621405_100010214848 [0,1,0,0,0,0|1,0,2]=4 624 B14R1.793 CCCCc1cnc(c(c1)OC)OC 271570a_100020621405_100010234541 [0,1,0,0,0,0|1,0,2]=4 625 B14R1.793 CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210303 [0,1,0,0,0,0|0,0,2]=3 626 B14R1.793 CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210303 [0,1,0,0,0,0|0,0,2]=3 627 B14R1.793 CCCSc1ccc(c(c1)CC)OC 62a_100000210303_200010179862 [0,1,0,0,0,0|1,0,2]=4 628 B14R1.793 CCCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210303 [0,1,0,0,0,0|1,0,2]=4 629 B14R1.793 CCCSc1ccc(c(c1)OC)CC 62a_100000210303_200010710398 [0,1,0,0,0,0|1,0,2]=4 630 B14R1.793 CCCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210303 [0,1,0,0,0,0|1,0,2]=4 631 B14R1.793 CCCSc1ccc(c(c1)OC)OC 62a_100000210303_100011356967 [0,1,0,0,0,0|0,0,2]=3 632 B14R1.793 CCCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210303 [0,1,0,0,0,0|0,1,2]=4 633 B14R1.793 CCCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210303 [0,1,0,0,0,0|0,1,2]=4 634 B14R1.793 CCCSc1ccc(c(n1)OC)OC 62a_100000210303_100010214848 [0,1,0,0,0,0|1,0,2]=4 635 B14R1.793 CCCSc1cnc(c(c1)OC)OC 62a_100000210303_100010234541 [0,1,0,0,0,0|1,0,2]=4 636 B14R1.793 CCNCc1ccc(c(c1)OC)OC 207a_100015525214_100000170513 [0,1,0,0,0,0|0,0,2]=3 637 B14R1.793 CCNCc1ccc(c(c1)OC)OC 2230a_100015525214_100011233839 [0,1,0,0,0,0|0,0,2]=3 638 B14R1.793 CCNCc1ccc(c(c1)OC)OC 270004a_100015525214_100000170513 [0,1,0,0,0,0|0,0,2]=3 639 B14R1.793 CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210202 [0,1,0,0,0,0|0,0,2]=3 640 B14R1.793 CCNCc1ccc(c(c1)OC)SC 207a_100015525214_100000050949 [0,1,0,0,0,0|0,1,2]=4 641 B14R1.793 CCNCc1ccc(c(c1)OC)SC 270004a_100015525214_100000050949 [0,1,0,0,0,0|0,1,2]=4 642 B14R1.793 CCNCc1cnc(c(c1)OC)OC 207a_100015525214_100000117638 [0,1,0,0,0,0|1,0,2]=4 643 B14R1.793 CCNCc1cnc(c(c1)OC)OC 270004a_100015525214_100000117638 [0,1,0,0,0,0|1,0,2]=4 644 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000083705_200000210301 [0,1,0,0,0,0|0,0,2]=3 645 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210202 [0,1,0,0,0,0|0,0,2]=3 646 B14R1.793 CCOCc1ccc(c(c1)OC)OC 7a_100000083705_200000210301 [0,1,0,0,0,0|0,0,2]=3 647 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 34a_100000083705_200025704644 [0,1,0,0,0,0|0,0,2]=3 648 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 7a_100000083705_200025704644 [0,1,0,0,0,0|0,0,2]=3 649 B14R1.793 CCSCc1ccc(c(c1)OC)OC 62a_100000210202_100011233839 [0,1,0,0,0,0|0,0,2]=3 650 B14R1.793 CCc1cc(ccc1OC)SCC#N 62a_100011215382_200010179862 [0,1,0,0,0,0|2,0,1]=4 651 B14R1.793 CCc1cc(ccc1OC)SCC#N 62a_200010179862_100011215382 [0,1,0,0,0,0|2,0,1]=4 652 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200010179862_200015260668 [0,1,0,0,0,0|2,0,0]=3 653 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200015260668_200010179862 [0,1,0,0,0,0|2,0,0]=3 654 B14R1.793 CCc1cc(ccc1OC)SCCF 62a_100011217306_200010179862 [0,1,0,0,0,0|2,0,1]=4 655 B14R1.793 CCc1cc(ccc1OC)SCCF 62a_200010179862_100011217306 [0,1,0,0,0,0|2,0,1]=4 656 B14R1.793 CCc1cc(ccc1OC)SCCO 62a_100000211926_200010179862 [0,1,0,0,0,0|2,0,1]=4 657 B14R1.793 CCc1cc(ccc1OC)SCCO 62a_200010179862_100000211926 [0,1,0,0,0,0|2,0,1]=4 658 B14R1.793 CCc1cc(ccc1OC)SCOC 62a_100000766300_200010179862 [0,1,0,0,0,0|2,0,1]=4 659 B14R1.793 CCc1cc(ccc1OC)SCOC 62a_200010179862_100000766300 [0,1,0,0,0,0|2,0,1]=4 660 B14R1.793 CCc1cc(ccc1OC)SCSC 62a_100011218213_200010179862 [0,1,0,0,0,0|2,0,1]=4 661 B14R1.793 CCc1cc(ccc1OC)SCSC 62a_200010179862_100011218213 [0,1,0,0,0,0|2,0,1]=4 662 B14R1.793 CCc1ccc(cc1OC)SCC#N 62a_100011215382_200010710398 [0,1,0,0,0,0|2,0,1]=4 663 B14R1.793 CCc1ccc(cc1OC)SCC#N 62a_200010710398_100011215382 [0,1,0,0,0,0|2,0,1]=4 664 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200010710398_200015260668 [0,1,0,0,0,0|2,0,0]=3 665 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200015260668_200010710398 [0,1,0,0,0,0|2,0,0]=3 666 B14R1.793 CCc1ccc(cc1OC)SCCF 62a_100011217306_200010710398 [0,1,0,0,0,0|2,0,1]=4 667 B14R1.793 CCc1ccc(cc1OC)SCCF 62a_200010710398_100011217306 [0,1,0,0,0,0|2,0,1]=4 668 B14R1.793 CCc1ccc(cc1OC)SCCO 62a_100000211926_200010710398 [0,1,0,0,0,0|2,0,1]=4 669 B14R1.793 CCc1ccc(cc1OC)SCCO 62a_200010710398_100000211926 [0,1,0,0,0,0|2,0,1]=4 670 B14R1.793 CCc1ccc(cc1OC)SCOC 62a_100000766300_200010710398 [0,1,0,0,0,0|2,0,1]=4 671 B14R1.793 CCc1ccc(cc1OC)SCOC 62a_200010710398_100000766300 [0,1,0,0,0,0|2,0,1]=4 672 B14R1.793 CCc1ccc(cc1OC)SCSC 62a_100011218213_200010710398 [0,1,0,0,0,0|2,0,1]=4 673 B14R1.793 CCc1ccc(cc1OC)SCSC 62a_200010710398_100011218213 [0,1,0,0,0,0|2,0,1]=4 674 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_100000210947_200000210301 [0,1,0,0,0,0|0,0,2]=3 675 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_106832991635_100011273988 [0,1,0,0,0,0|0,0,2]=3 676 B14R1.793 CNCCc1ccc(c(c1)OC)OC 270004a_106832991635_100011754369 [0,1,0,0,0,0|0,0,2]=3 677 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100000210947_200000210301 [0,1,0,0,0,0|0,0,2]=3 678 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100102657272_100011273988 [0,1,0,0,0,0|0,0,2]=3 679 B14R1.793 CNCCc1ccc(c(c1)OC)OC 7a_106832991635_100011740610 [0,1,0,0,0,0|0,0,2]=3 680 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100011215274_200000210301 [0,1,0,0,0,0|0,0,2]=3 681 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100138415774_100011273988 [0,1,0,0,0,0|0,0,2]=3 682 B14R1.793 COCOc1ccc(c(c1)SC)OC 62a_200000210301_200161107199 [0,1,0,0,0,0|1,1,1]=4 683 B14R1.793 COCOc1ccc(c(c1)SC)OC 62a_200161107199_200000210301 [0,1,0,0,0,0|1,1,1]=4 684 B14R1.793 COCOc1ccc(c(c1)S[13CH3])OC 62a_200025704644_200161107199 [0,1,0,0,0,0|1,1,1]=4 685 B14R1.793 COCOc1ccc(c(c1)S[13CH3])OC 62a_200161107199_200025704644 [0,1,0,0,0,0|1,1,1]=4 686 B14R1.793 COCSc1ccc(c(c1)OC)OC 62a_100000766300_100011356967 [0,1,0,0,0,0|1,0,1]=3 687 B14R1.793 COCSc1ccc(c(c1)OC)SC 62a_200011001119_100000766300 [0,1,0,0,0,0|1,1,1]=4 688 B14R1.793 COCSc1ccc(c(c1)SC)OC 62a_200009892704_100000766300 [0,1,0,0,0,0|1,1,1]=4 689 B14R1.793 COCSc1ccc(c(n1)OC)OC 62a_100000766300_100010214848 [0,1,0,0,0,0|2,0,1]=4 690 B14R1.793 COCSc1cnc(c(c1)OC)OC 62a_100000766300_100010234541 [0,1,0,0,0,0|2,0,1]=4 691 B14R1.793 COc1cc(ccc1C#N)NCC=O 34a_100011999456_200009817547 [0,1,0,0,0,0|3,0,0]=4 692 B14R1.793 COc1cc(ccc1C#N)SCC=O 62a_200015260668_100000694671 [0,1,0,0,0,0|3,0,0]=4 693 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_100000697075_200015260668 [0,1,0,0,0,0|3,0,0]=4 694 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_200015260668_100010290300 [0,1,0,0,0,0|3,0,0]=4 695 B14R1.793 COc1cc(ccc1CO)NCC=O 34a_100012183141_200009817547 [0,1,0,0,0,0|3,0,0]=4 696 B14R1.793 COc1cc(ccc1CO)OCC=O 34a_200000116926_200009817547 [0,1,0,0,0,0|3,0,0]=4 697 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_100011277633_200015260668 [0,1,0,0,0,0|3,0,0]=4 698 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_200015260668_100011277633 [0,1,0,0,0,0|3,0,0]=4 699 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [0,1,0,0,0,0|0,0,2]=3 700 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 34a_100000060467_200025704644 [0,1,0,0,0,0|0,0,2]=3 701 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 7a_100000060467_200025704644 [0,1,0,0,0,0|0,0,2]=3 702 B14R1.793 COc1cc(ccc1SC)SCC#N 62a_200011001119_100011215382 [0,1,0,0,0,0|1,1,1]=4 703 B14R1.793 COc1cc(ccc1SC)SCC=O 62a_200011001119_200015260668 [0,1,0,0,0,0|1,1,0]=3 704 B14R1.793 COc1cc(ccc1SC)SCCF 62a_200011001119_100011217306 [0,1,0,0,0,0|1,1,1]=4 705 B14R1.793 COc1cc(ccc1SC)SCCO 62a_200011001119_100000211926 [0,1,0,0,0,0|1,1,1]=4 706 B14R1.793 COc1cc(ccc1SC)SCSC 62a_200011001119_100011218213 [0,1,0,0,0,0|1,1,1]=4 707 B14R1.793 COc1cc(cnc1OC)SCC#N 62a_100011215382_100010234541 [0,1,0,0,0,0|2,0,1]=4 708 B14R1.793 COc1cc(cnc1OC)SCC=O 62a_200015260668_100010234541 [0,1,0,0,0,0|2,0,0]=3 709 B14R1.793 COc1cc(cnc1OC)SCCF 62a_100011217306_100010234541 [0,1,0,0,0,0|2,0,1]=4 710 B14R1.793 COc1cc(cnc1OC)SCCO 62a_100000211926_100010234541 [0,1,0,0,0,0|2,0,1]=4 711 B14R1.793 COc1cc(cnc1OC)SCSC 62a_100011218213_100010234541 [0,1,0,0,0,0|2,0,1]=4 712 B14R1.793 COc1cc(nnc1OC)SCC=O 62a_200015260668_200000095610 [0,1,0,0,0,0|3,0,0]=4 713 B14R1.793 COc1ccc(cc1C#N)NCC=O 34a_100011204338_200009817547 [0,1,0,0,0,0|3,0,0]=4 714 B14R1.793 COc1ccc(cc1C#N)NCC=O 7a_100011204338_200015260668 [0,1,0,0,0,0|3,0,0]=4 715 B14R1.793 COc1ccc(cc1C#N)SCC=O 62a_200015260668_100000188252 [0,1,0,0,0,0|3,0,0]=4 716 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_100000170026_200015260668 [0,1,0,0,0,0|3,0,0]=4 717 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_200015260668_100000170026 [0,1,0,0,0,0|3,0,0]=4 718 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_100000690498_200015260668 [0,1,0,0,0,0|3,0,0]=4 719 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_200015260668_100000690498 [0,1,0,0,0,0|3,0,0]=4 720 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_100000204679_200015260668 [0,1,0,0,0,0|3,0,0]=4 721 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_200015260668_100000204679 [0,1,0,0,0,0|3,0,0]=4 722 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [0,1,0,0,0,0|0,0,2]=3 723 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [0,1,0,0,0,0|0,0,2]=3 724 B14R1.793 COc1ccc(cc1OC)CCCO 34a_100000060467_200000210301 [0,1,0,0,0,0|0,0,2]=3 725 B14R1.793 COc1ccc(cc1OC)CCCO 7a_100000060467_200000210301 [0,1,0,0,0,0|0,0,2]=3 726 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 2230a_100000210947_200025704644 [0,1,0,0,0,0|0,0,2]=3 727 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 34a_100000210947_200025704644 [0,1,0,0,0,0|0,0,2]=3 728 B14R1.793 COc1ccc(cc1OC)CCO[13CH3] 34a_100011215274_200025704644 [0,1,0,0,0,0|0,0,2]=3 729 B14R1.793 COc1ccc(cc1OC)CCSC 62a_200000210301_100011740610 [0,1,0,0,0,0|0,0,2]=3 730 B14R1.793 COc1ccc(cc1OC)CCS[13CH3] 62a_200025704644_100011740610 [0,1,0,0,0,0|0,0,2]=3 731 B14R1.793 COc1ccc(cc1OC)CNCF 34a_100000185555_100015361967 [0,1,0,0,0,0|1,0,1]=3 732 B14R1.793 COc1ccc(cc1OC)COCF 34a_100000210929_100015361967 [0,1,0,0,0,0|1,0,1]=3 733 B14R1.793 COc1ccc(cc1OC)CSCF 62a_100015361967_100011233839 [0,1,0,0,0,0|1,0,1]=3 734 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [0,1,0,0,0,0|1,0,0]=2 735 B14R1.793 COc1ccc(cc1OC)NCCF 34a_100000187404_100011217306 [0,1,0,0,0,0|1,0,1]=3 736 B14R1.793 COc1ccc(cc1OC)NCCO 34a_100000187404_100000211926 [0,1,0,0,0,0|1,0,1]=3 737 B14R1.793 COc1ccc(cc1OC)NCSC 34a_100000187404_100011218213 [0,1,0,0,0,0|1,0,1]=3 738 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [0,1,0,0,0,0|1,0,0]=2 739 B14R1.793 COc1ccc(cc1OC)OCCF 34a_100000039706_100011217306 [0,1,0,0,0,0|1,0,1]=3 740 B14R1.793 COc1ccc(cc1OC)OCCO 34a_100000039706_100000211926 [0,1,0,0,0,0|1,0,1]=3 741 B14R1.793 COc1ccc(cc1OC)OCSC 34a_100000039706_100011218213 [0,1,0,0,0,0|1,0,1]=3 742 B14R1.793 COc1ccc(cc1OC)SCC#N 62a_100011215382_100011356967 [0,1,0,0,0,0|1,0,1]=3 743 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [0,1,0,0,0,0|1,0,0]=2 744 B14R1.793 COc1ccc(cc1OC)SCCF 62a_100011217306_100011356967 [0,1,0,0,0,0|1,0,1]=3 745 B14R1.793 COc1ccc(cc1OC)SCCO 62a_100000211926_100011356967 [0,1,0,0,0,0|1,0,1]=3 746 B14R1.793 COc1ccc(cc1OC)SCSC 62a_100011218213_100011356967 [0,1,0,0,0,0|1,0,1]=3 747 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [0,1,0,0,0,0|0,0,2]=3 748 B14R1.793 COc1ccc(cc1SC)SCC#N 62a_200009892704_100011215382 [0,1,0,0,0,0|1,1,1]=4 749 B14R1.793 COc1ccc(cc1SC)SCC=O 62a_200009892704_200015260668 [0,1,0,0,0,0|1,1,0]=3 750 B14R1.793 COc1ccc(cc1SC)SCCF 62a_200009892704_100011217306 [0,1,0,0,0,0|1,1,1]=4 751 B14R1.793 COc1ccc(cc1SC)SCCO 62a_200009892704_100000211926 [0,1,0,0,0,0|1,1,1]=4 752 B14R1.793 COc1ccc(cc1SC)SCSC 62a_200009892704_100011218213 [0,1,0,0,0,0|1,1,1]=4 753 B14R1.793 COc1ccc(nc1OC)SCC#N 62a_100011215382_100010214848 [0,1,0,0,0,0|2,0,1]=4 754 B14R1.793 COc1ccc(nc1OC)SCC=O 62a_200015260668_100010214848 [0,1,0,0,0,0|2,0,0]=3 755 B14R1.793 COc1ccc(nc1OC)SCCF 62a_100011217306_100010214848 [0,1,0,0,0,0|2,0,1]=4 756 B14R1.793 COc1ccc(nc1OC)SCCO 62a_100000211926_100010214848 [0,1,0,0,0,0|2,0,1]=4 757 B14R1.793 COc1ccc(nc1OC)SCSC 62a_100011218213_100010214848 [0,1,0,0,0,0|2,0,1]=4 758 B14R1.793 COc1cnc(nc1OC)SCC=O 62a_200015260668_100010280452 [0,1,0,0,0,0|3,0,0]=4 759 B14R1.793 COc1ncc(nc1OC)SCC=O 62a_100010132954_200015260668 [0,1,0,0,0,0|3,0,0]=4 760 B14R1.793 COc1ncc(nc1OC)SCC=O 62a_200015260668_100010132954 [0,1,0,0,0,0|3,0,0]=4 761 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [0,1,0,0,0,0|0,0,3]=4 762 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [0,1,0,0,0,0|0,0,3]=4 763 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [0,1,0,0,0,0|0,0,3]=4 764 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [0,1,0,0,0,0|0,0,3]=4 765 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [0,1,0,0,0,0|0,0,3]=4 766 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 34a_200000015950_200000210301 [0,1,0,0,0,0|0,0,2]=3 767 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 7a_200000015950_200000210301 [0,1,0,0,0,0|0,0,2]=3 768 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 34a_200000015950_200025704644 [0,1,0,0,0,0|0,0,2]=3 769 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 7a_200000015950_200025704644 [0,1,0,0,0,0|0,0,2]=3 770 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 2230a_100000221037_200000210301 [0,1,0,0,0,0|1,0,2]=4 771 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 269982a_100000221037_200000210301 [0,1,0,0,0,0|1,0,2]=4 772 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 34a_100000221037_200000210301 [0,1,0,0,0,0|1,0,2]=4 773 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 2230a_100000221037_200025704644 [0,1,0,0,0,0|1,0,2]=4 774 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 269982a_100000221037_200025704644 [0,1,0,0,0,0|1,0,2]=4 775 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 34a_100000221037_200025704644 [0,1,0,0,0,0|1,0,2]=4 776 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [0,1,0,0,0,0|1,0,2]=4 777 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [0,1,0,0,0,0|1,0,2]=4 778 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [0,1,0,0,0,0|1,0,2]=4 779 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [0,1,0,0,0,0|1,0,2]=4 780 B14R1.1864 CNC(C)c1ccc(c(c1)OC)OC 269862a_106832991636_100000171757 [0,1,0,0,0,0|1,0,1]=3 781 B14R1.1864 CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_200000210301 [0,1,0,0,0,0|1,0,1]=3 782 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [0,1,0,0,0,0|1,0,2]=4 783 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [0,1,0,0,0,0|1,0,2]=4 784 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [0,1,0,0,0,0|1,0,2]=4 785 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [0,1,0,0,0,0|1,0,2]=4 786 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [0,1,0,0,0,0|1,0,2]=4 787 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [0,1,0,0,0,0|1,0,2]=4 788 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [0,1,0,0,0,0|1,0,2]=4 789 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [0,1,0,0,0,0|1,0,2]=4 790 B14R1.1864 COc1cc(ccc1O[13CH3])C(=NO)N 34a_200000748009_200025704644 [0,1,0,0,0,0|2,0,1]=4 791 B14R1.1864 COc1cc(ccc1O[13CH3])C(=O)NN 34a_100000008232_200025704644 [0,1,0,0,0,0|2,0,1]=4 792 B14R1.1864 COc1ccc(cc1OC)C(=NO)N 34a_200000748009_200000210301 [0,1,0,0,0,0|2,0,1]=4 793 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [0,1,0,0,0,0|1,0,2]=4 794 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_100000008232_200000210301 [0,1,0,0,0,0|2,0,1]=4 795 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_200012634778_200000210301 [0,1,0,0,0,0|2,0,1]=4 796 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [0,1,0,0,0,0|1,0,1]=3 797 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [0,1,0,0,0,0|1,0,1]=3 798 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [0,1,0,0,0,0|1,0,1]=3 799 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [0,1,0,0,0,0|1,0,1]=3 800 B14R1.1864 COc1ccc(cc1OC)[C@@H](C)N[13CH3] 2230a_100025717294_200025704644 [0,1,0,0,0,0|1,0,1]=3 801 B14R1.1864 COc1ccc(cc1O[13CH3])C(=O)NN 34a_200012634778_200025704644 [0,1,0,0,0,0|2,0,1]=4 802 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 207a_100102657272_100000183470 [0,1,0,0,0,0|1,0,1]=3 803 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 270004a_106832991635_100000183470 [0,1,0,0,0,0|1,0,1]=3 804 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 34a_100000748475_200000210301 [0,1,0,0,0,0|1,0,1]=3 805 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 207a_100102657272_100000184546 [0,1,0,0,0,0|1,0,1]=3 806 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 270004a_106832991635_100000184546 [0,1,0,0,0,0|1,0,1]=3 807 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 207a_100102657272_100000188315 [0,1,0,0,0,0|1,0,1]=3 808 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 270004a_106832991635_100000188315 [0,1,0,0,0,0|1,0,1]=3 809 B14R1.3237 COCc1cc(c(c(c1)OC)OC)Br 34a_200000215730_200000210301 [0,1,0,0,0,0|1,0,1]=3 810 B14R1.3237 COc1cc(cc(c1OC)Br)CN[13CH3] 34a_100000748475_200025704644 [0,1,0,0,0,0|1,0,1]=3 811 B14R1.3237 COc1cc(cc(c1OC)Br)CO[13CH3] 34a_200000215730_200025704644 [0,1,0,0,0,0|1,0,1]=3 812 B14R1.3651 C=Cc1cc(ccc1OC)CC(=O)C 271570a_100011290941_100011493462 [0,1,0,0,0,0|1,0,2]=4 813 B14R1.3651 CCc1cc(ccc1OC)C=C(C)C 271570a_100102525489_200010179862 [0,1,0,0,0,0|1,0,2]=4 814 B14R1.3651 CCc1ccc(cc1OC)C=C(C)C 271570a_100102525489_200010710398 [0,1,0,0,0,0|1,0,2]=4 815 B14R1.3651 CNc1cc(ccc1OC)NC(=O)C 34a_100000211725_200000210301 [0,1,0,0,0,0|2,0,1]=4 816 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,1,0,0,0,0|0,0,1]=2 817 B14R1.3651 COc1cc(ccc1SC)C=C(C)C 271570a_100102525489_200011001119 [0,1,0,0,0,0|0,1,2]=4 818 B14R1.3651 COc1cc(ccc1SC)CN(C)C 270004a_100102631434_100000050949 [0,1,0,0,0,0|1,1,1]=4 819 B14R1.3651 COc1cc(cnc1OC)C=C(C)C 271570a_100102525489_100010234541 [0,1,0,0,0,0|1,0,2]=4 820 B14R1.3651 COc1cc(cnc1OC)CN(C)C 270004a_100102631434_100000117638 [0,1,0,0,0,0|2,0,1]=4 821 B14R1.3651 COc1ccc(cc1N[13CH3])NC(=O)C 34a_100000211725_200025704644 [0,1,0,0,0,0|2,0,1]=4 822 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,1,0,0,0,0|0,0,2]=3 823 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,1,0,0,0,0|0,0,1]=2 824 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,1,0,0,0,0|0,0,1]=2 825 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,1,0,0,0,0|0,0,1]=2 826 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100000180827_200000210301 [0,1,0,0,0,0|1,0,1]=3 827 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100102631434_100011233839 [0,1,0,0,0,0|1,0,1]=3 828 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100000180827_200000210301 [0,1,0,0,0,0|1,0,1]=3 829 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100102631434_100011233839 [0,1,0,0,0,0|1,0,1]=3 830 B14R1.3651 COc1ccc(cc1OC)CN(C)C 270004a_100102631434_100000170513 [0,1,0,0,0,0|1,0,1]=3 831 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 2230a_100000180827_200025704644 [0,1,0,0,0,0|1,0,1]=3 832 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 269982a_100000180827_200025704644 [0,1,0,0,0,0|1,0,1]=3 833 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,1,0,0,0,0|1,0,1]=3 834 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,1,0,0,0,0|1,0,1]=3 835 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,1,0,0,0,0|1,0,1]=3 836 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,1,0,0,0,0|1,0,1]=3 837 B14R1.3651 COc1ccc(cc1OC)NC(C)C 34a_100000187404_100000210206 [0,1,0,0,0,0|1,0,2]=4 838 B14R1.3651 COc1ccc(cc1OC)OC(C)C 34a_100000039706_100000210206 [0,1,0,0,0,0|1,0,2]=4 839 B14R1.3651 COc1ccc(cc1OC)SC(C)C 62a_100000210206_100011356967 [0,1,0,0,0,0|1,0,2]=4 840 B14R1.3651 COc1ccc(cc1SC)C=C(C)C 271570a_100102525489_200009892704 [0,1,0,0,0,0|0,1,2]=4 841 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,1,0,0,0,0|0,1,1]=3 842 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,1,0,0,0,0|0,1,1]=3 843 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,1,0,0,0,0|0,1,1]=3 844 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,1,0,0,0,0|0,1,1]=3 845 B14R1.3651 COc1ccc(nc1OC)C=C(C)C 271570a_100102525489_100010214848 [0,1,0,0,0,0|1,0,2]=4 846 B14R1.6787 C=C=Cc1ccc(c(c1)CCN)OC 271570a_100015277604_100000763266 [0,1,0,0,0,0|1,0,2]=4 847 B14R1.6787 C=C=Cc1ccc(c(c1)CNC)OC 271570a_100015277604_100000690607 [0,1,0,0,0,0|1,0,2]=4 848 B14R1.6787 C=C=Cc1ccc(c(c1)COC)OC 271570a_100015277604_200011493686 [0,1,0,0,0,0|0,0,2]=3 849 B14R1.6787 C=C=Cc1ccc(c(c1)OCC)OC 271570a_100015277604_200010219349 [0,1,0,0,0,0|0,0,2]=3 850 B14R1.6787 CC=Cc1cc(ccc1OC)CC#N 271570a_100016259895_100011215974 [0,1,0,0,0,0|2,0,1]=4 851 B14R1.6787 CC=Cc1cc(ccc1OC)CCN 271570a_100016259895_103549771065 [0,1,0,0,0,0|2,0,1]=4 852 B14R1.6787 CC=Cc1cc(ccc1OC)CCO 271570a_100016259895_100011962876 [0,1,0,0,0,0|2,0,1]=4 853 B14R1.6787 CC=Cc1ccc(c(c1)CCN)OC 271570a_100016259895_100000763266 [0,1,0,0,0,0|1,0,2]=4 854 B14R1.6787 CC=Cc1ccc(c(c1)CNC)OC 271570a_100016259895_100000690607 [0,1,0,0,0,0|1,0,2]=4 855 B14R1.6787 CC=Cc1ccc(c(c1)COC)OC 271570a_100016259895_200011493686 [0,1,0,0,0,0|0,0,2]=3 856 B14R1.6787 CC=Cc1ccc(c(c1)OCC)OC 271570a_100016259895_200010219349 [0,1,0,0,0,0|0,0,2]=3 857 B14R1.6787 CCOc1cc(ccc1OC)CC#N 7a_200000061240_200000210301 [0,1,0,0,0,0|1,0,1]=3 858 B14R1.6787 CCOc1cc(ccc1OC)CCN 34a_100011207234_100000210202 [0,1,0,0,0,0|1,0,1]=3 859 B14R1.6787 CCOc1cc(ccc1OC)CNC 207a_100102657272_100000170514 [0,1,0,0,0,0|1,0,1]=3 860 B14R1.6787 CCOc1cc(ccc1OC)CNC 2230a_100000755831_200000210301 [0,1,0,0,0,0|1,0,1]=3 861 B14R1.6787 CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000170514 [0,1,0,0,0,0|1,0,1]=3 862 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000188468_100000210202 [0,1,0,0,0,0|1,0,1]=3 863 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000755831_200000210301 [0,1,0,0,0,0|1,0,1]=3 864 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 2230a_100000755831_200025704644 [0,1,0,0,0,0|1,0,1]=3 865 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 34a_100000755831_200025704644 [0,1,0,0,0,0|1,0,1]=3 866 B14R1.6787 CCOc1cc(ccc1O[13CH3])CC#N 7a_200000061240_200025704644 [0,1,0,0,0,0|1,0,1]=3 867 B14R1.6787 CCSc1cc(ccc1OC)CC#N 62a_100000210202_100011215974 [0,1,0,0,0,0|1,1,1]=4 868 B14R1.6787 CCSc1cc(ccc1OC)CC#N 62a_100011215974_100000210202 [0,1,0,0,0,0|1,1,1]=4 869 B14R1.6787 CCSc1cc(ccc1OC)CCN 62a_100000210202_103549771065 [0,1,0,0,0,0|1,1,1]=4 870 B14R1.6787 CCSc1cc(ccc1OC)CCN 62a_103549771065_100000210202 [0,1,0,0,0,0|1,1,1]=4 871 B14R1.6787 CCSc1cc(ccc1OC)CCO 62a_100000210202_100011962876 [0,1,0,0,0,0|1,1,1]=4 872 B14R1.6787 CCSc1cc(ccc1OC)CCO 62a_100011962876_100000210202 [0,1,0,0,0,0|1,1,1]=4 873 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_100000210202_200011493686 [0,1,0,0,0,0|1,0,2]=4 874 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_200011493686_100000210202 [0,1,0,0,0,0|1,0,2]=4 875 B14R1.6787 CNCc1ccc(c(c1)COC)OC 207a_100102657272_100000708483 [0,1,0,0,0,0|1,0,1]=3 876 B14R1.6787 CNCc1ccc(c(c1)COC)OC 270004a_106832991635_100000708483 [0,1,0,0,0,0|1,0,1]=3 877 B14R1.6787 CNCc1ccc(c(c1)OCF)OC 34a_100000188468_100015361967 [0,1,0,0,0,0|1,0,1]=3 878 B14R1.6787 COCc1cc(ccc1OC)SCF 62a_100015361967_200011493686 [0,1,0,0,0,0|2,0,1]=4 879 B14R1.6787 COCc1cc(ccc1OC)SCF 62a_200011493686_100015361967 [0,1,0,0,0,0|2,0,1]=4 880 B14R1.6787 COc1ccc(cc1OCF)CCN 34a_100011207234_100015361967 [0,1,0,0,0,0|1,0,1]=3 881 B14R1.6787 COc1ccc(cc1SCF)CC#N 62a_100011215974_100015361967 [0,1,0,0,0,0|1,1,1]=4 882 B14R1.6787 COc1ccc(cc1SCF)CC#N 62a_100015361967_100011215974 [0,1,0,0,0,0|1,1,1]=4 883 B14R1.6787 COc1ccc(cc1SCF)CCN 62a_100015361967_103549771065 [0,1,0,0,0,0|1,1,1]=4 884 B14R1.6787 COc1ccc(cc1SCF)CCN 62a_103549771065_100015361967 [0,1,0,0,0,0|1,1,1]=4 885 B14R1.6787 COc1ccc(cc1SCF)CCO 62a_100011962876_100015361967 [0,1,0,0,0,0|1,1,1]=4 886 B14R1.6787 COc1ccc(cc1SCF)CCO 62a_100015361967_100011962876 [0,1,0,0,0,0|1,1,1]=4 887 B14R1.6788 C=C=Cc1ccc(c(c1)CC)OCC 271570a_100015277604_200010070707 [0,1,0,0,0,0|1,0,2]=4 888 B14R1.6788 C=C=Cc1ccc(c(c1)OC)OCC 271570a_100015277604_200012344064 [0,1,0,0,0,0|0,0,2]=3 889 B14R1.6788 C=C=Cc1cnc(c(c1)OC)OCC 271570a_100015277604_200010116856 [0,1,0,0,0,0|1,0,2]=4 890 B14R1.6788 C=CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000181329 [0,1,0,0,0,0|1,0,0]=2 891 B14R1.6788 C=CCc1ccc(c(c1)OC)OCC 34a_100000181329_100000210202 [0,1,0,0,0,0|0,0,0]=1 892 B14R1.6788 C=CCc1ccc(c(c1)OC)OCF 34a_100000181329_100015361967 [0,1,0,0,0,0|0,0,0]=1 893 B14R1.6788 CC=Cc1ccc(c(c1)CC)OCC 271570a_100016259895_200010070707 [0,1,0,0,0,0|1,0,2]=4 894 B14R1.6788 CC=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100015195088 [0,1,0,0,0,0|1,0,2]=4 895 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [0,1,0,0,0,0|0,0,2]=3 896 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [0,1,0,0,0,0|0,0,2]=3 897 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [0,1,0,0,0,0|0,0,2]=3 898 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [0,1,0,0,0,0|0,0,2]=3 899 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCF 34a_100015195088_100015361967 [0,1,0,0,0,0|0,0,2]=3 900 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [0,1,0,0,0,0|0,0,2]=3 901 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [0,1,0,0,0,0|0,0,2]=3 902 B14R1.6788 CC=Cc1ccc(cc1OC)CC#N 271570a_100016259895_100010176002 [0,1,0,0,0,0|2,0,1]=4 903 B14R1.6788 CC=Cc1cnc(c(c1)OC)OCC 271570a_100016259895_200010116856 [0,1,0,0,0,0|1,0,2]=4 904 B14R1.6788 CCCc1ccc(c(c1)OC)CNC 26a_100102657272_100000012292 [0,1,0,0,0,0|1,0,2]=4 905 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 34a_100000012292_100000210202 [0,1,0,0,0,0|0,0,2]=3 906 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 7a_100000012292_100000210202 [0,1,0,0,0,0|0,0,2]=3 907 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 34a_100000012292_100015361967 [0,1,0,0,0,0|0,0,2]=3 908 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 7a_100000012292_100015361967 [0,1,0,0,0,0|0,0,2]=3 909 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210202 [0,1,0,0,0,0|1,0,2]=4 910 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000210202 [0,1,0,0,0,0|1,0,2]=4 911 B14R1.6788 CCOc1ccc(cc1OC)CC#N 34a_100000032377_100000210202 [0,1,0,0,0,0|1,0,1]=3 912 B14R1.6788 CCOc1ccc(cc1OC)CCBr 34a_100010741665_100000210202 [0,1,0,0,0,0|1,0,1]=3 913 B14R1.6788 CCOc1ccc(cc1OC)CCBr 7a_100010741665_100000210202 [0,1,0,0,0,0|1,0,1]=3 914 B14R1.6788 CCOc1ccc(cc1OC)CCN 34a_100000756042_100000210202 [0,1,0,0,0,0|1,0,1]=3 915 B14R1.6788 CCOc1ccc(cc1OC)CCO 34a_100011215244_100000210202 [0,1,0,0,0,0|1,0,1]=3 916 B14R1.6788 CCOc1ccc(cc1OC)CNC 207a_100102657272_100000169853 [0,1,0,0,0,0|1,0,1]=3 917 B14R1.6788 CCOc1ccc(cc1OC)CNC 2230a_200000739100_200000210301 [0,1,0,0,0,0|1,0,1]=3 918 B14R1.6788 CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169853 [0,1,0,0,0,0|1,0,1]=3 919 B14R1.6788 CCOc1ccc(cc1OC)CNC 34a_200000739100_200000210301 [0,1,0,0,0,0|1,0,1]=3 920 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 2230a_200000739100_200025704644 [0,1,0,0,0,0|1,0,1]=3 921 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 34a_200000739100_200025704644 [0,1,0,0,0,0|1,0,1]=3 922 B14R1.6788 CCOc1ccc(cc1OC)COC 34a_100000184821_200000210301 [0,1,0,0,0,0|1,0,1]=3 923 B14R1.6788 CCOc1ccc(cc1OC)CO[13CH3] 34a_100000184821_200025704644 [0,1,0,0,0,0|1,0,1]=3 924 B14R1.6788 CCOc1ccc(cc1OC)NCF 34a_100000184985_100015361967 [0,1,0,0,0,0|2,0,1]=4 925 B14R1.6788 CCSc1ccc(cc1OC)CC#N 62a_100000210202_100010176002 [0,1,0,0,0,0|1,1,1]=4 926 B14R1.6788 CCSc1ccc(cc1OC)CC#N 62a_100010176002_100000210202 [0,1,0,0,0,0|1,1,1]=4 927 B14R1.6788 CNCc1ccc(cc1OC)CCBr 26a_100102657272_100010741665 [0,1,0,0,0,0|2,0,1]=4 928 B14R1.6788 CNCc1ccc(cc1OC)CCO 26a_100102657272_100011215244 [0,1,0,0,0,0|2,0,1]=4 929 B14R1.6788 COc1cc(ccc1OCF)CC#N 34a_100000032377_100015361967 [0,1,0,0,0,0|1,0,1]=3 930 B14R1.6788 COc1cc(ccc1OCF)CCBr 34a_100010741665_100015361967 [0,1,0,0,0,0|1,0,1]=3 931 B14R1.6788 COc1cc(ccc1OCF)CCBr 7a_100010741665_100015361967 [0,1,0,0,0,0|1,0,1]=3 932 B14R1.6788 COc1cc(ccc1OCF)CCN 34a_100000756042_100015361967 [0,1,0,0,0,0|1,0,1]=3 933 B14R1.6788 COc1cc(ccc1OCF)CCO 34a_100011215244_100015361967 [0,1,0,0,0,0|1,0,1]=3 934 B14R1.6788 COc1cc(ccc1SCF)CC#N 62a_100010176002_100015361967 [0,1,0,0,0,0|1,1,1]=4 935 B14R1.6788 COc1cc(ccc1SCF)CC#N 62a_100015361967_100010176002 [0,1,0,0,0,0|1,1,1]=4 936 B14R1.6794 C=C(C)c1cc(ccc1OC)CC#N 271570a_100000694244_100011215974 [0,1,0,0,0,0|2,0,1]=4 937 B14R1.6794 C=C(C)c1cc(ccc1OC)CCN 271570a_100000694244_103549771065 [0,1,0,0,0,0|2,0,1]=4 938 B14R1.6794 C=C(C)c1cc(ccc1OC)CCO 271570a_100000694244_100011962876 [0,1,0,0,0,0|2,0,1]=4 939 B14R1.6794 C=C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100015277604_100000173343 [0,1,0,0,0,0|1,0,2]=4 940 B14R1.6794 CC=Cc1ccc(c(c1)C(=O)C)OC 271570a_100016259895_100000173343 [0,1,0,0,0,0|1,0,2]=4 941 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)OC 34a_200011698639_200000210301 [0,1,0,0,0,0|1,0,2]=4 942 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)OC 7a_200011698639_200000210301 [0,1,0,0,0,0|1,0,2]=4 943 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_200011698639_200025704644 [0,1,0,0,0,0|1,0,2]=4 944 B14R1.6794 CCCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_200011698639_200025704644 [0,1,0,0,0,0|1,0,2]=4 945 B14R1.6794 CNCc1ccc(c(c1)C(C)C)OC 207a_100102657272_100000083594 [0,1,0,0,0,0|2,0,1]=4 946 B14R1.6794 CNCc1ccc(c(c1)C(C)C)OC 270004a_106832991635_100000083594 [0,1,0,0,0,0|2,0,1]=4 947 B14R1.10285 C=C=Cc1ccc(c(c1C)OC)OC 271570a_100015277604_100010000156 [0,1,0,0,0,0|0,0,2]=3 948 B14R1.10285 CC=Cc1ccc(c(c1C)OC)OC 271570a_100016259895_100010000156 [0,1,0,0,0,0|0,0,2]=3 949 B14R1.10285 CCSc1ccc(c(c1C)OC)OC 62a_100000210202_100010000156 [0,1,0,0,0,0|1,0,2]=4 950 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 207a_100102657272_100009814707 [0,1,0,0,0,0|1,0,1]=3 951 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 270004a_106832991635_100009814707 [0,1,0,0,0,0|1,0,1]=3 952 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 207a_100102657272_100000050322 [0,1,0,0,0,0|1,0,1]=3 953 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 270004a_106832991635_100000050322 [0,1,0,0,0,0|1,0,1]=3 954 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 207a_100102657272_100000033805 [0,1,0,0,0,0|1,0,1]=3 955 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 2230a_106832991635_100011890039 [0,1,0,0,0,0|1,0,1]=3 956 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 270004a_106832991635_100000033805 [0,1,0,0,0,0|1,0,1]=3 957 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_200000210301 [0,1,0,0,0,0|1,0,1]=3 958 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 7a_106832991635_100011890039 [0,1,0,0,0,0|1,0,1]=3 959 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 207a_100102657272_100009852382 [0,1,0,0,0,0|1,0,1]=3 960 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 270004a_106832991635_100009852382 [0,1,0,0,0,0|1,0,1]=3 961 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 207a_100102657272_100010191550 [0,1,0,0,0,0|1,0,1]=3 962 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 270004a_106832991635_100010191550 [0,1,0,0,0,0|1,0,1]=3 963 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 34a_100011218542_200000210301 [0,1,0,0,0,0|1,0,1]=3 964 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 7a_100011218542_200000210301 [0,1,0,0,0,0|1,0,1]=3 965 B14R1.10285 COc1ccc(c(c1OC)C)SCF 62a_100015361967_100010000156 [0,1,0,0,0,0|2,0,1]=4 966 B14R1.10285 COc1ccc(c(c1OC)Cl)CN[13CH3] 34a_102515433231_200025704644 [0,1,0,0,0,0|1,0,1]=3 967 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 34a_100011218542_200025704644 [0,1,0,0,0,0|1,0,1]=3 968 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 7a_100011218542_200025704644 [0,1,0,0,0,0|1,0,1]=3 969 B14R1.10285 COc1ccc(c(c1OC)Cl)CSC 62a_200000210301_100011890039 [0,1,0,0,0,0|1,0,1]=3 970 B14R1.10285 COc1ccc(c(c1OC)Cl)CS[13CH3] 62a_200025704644_100011890039 [0,1,0,0,0,0|1,0,1]=3 971 B14R1.14946 C=C=Cc1cc(c(cc1F)OC)OC 271570a_100015277604_200011765842 [0,1,0,0,0,0|0,0,2]=3 972 B14R1.14946 C=C=Cc1nc(c(cc1C)OC)OC 271570a_100015277604_200011016175 [0,1,0,0,0,0|1,0,2]=4 973 B14R1.14946 CC=Cc1cc(c(cc1F)OC)OC 271570a_100016259895_200011765842 [0,1,0,0,0,0|0,0,2]=3 974 B14R1.14946 CC=Cc1nc(c(cc1C)OC)OC 271570a_100016259895_200011016175 [0,1,0,0,0,0|1,0,2]=4 975 B14R1.14946 CCNc1cc(c(cc1C)OC)OC 34a_100000183460_100000210202 [0,1,0,0,0,0|1,0,2]=4 976 B14R1.14946 CCNc1cc(c(cc1F)OC)OC 34a_100000753170_100000210202 [0,1,0,0,0,0|1,0,2]=4 977 B14R1.14946 CCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000210202 [0,1,0,0,0,0|1,0,2]=4 978 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 207a_100102657272_100000170863 [0,1,0,0,0,0|1,0,1]=3 979 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 270004a_106832991635_100000170863 [0,1,0,0,0,0|1,0,1]=3 980 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 34a_100102657272_100011375086 [0,1,0,0,0,0|1,0,1]=3 981 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 7a_106832991635_100011375086 [0,1,0,0,0,0|1,0,1]=3 982 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 207a_100102657272_100000685059 [0,1,0,0,0,0|1,0,1]=3 983 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 270004a_106832991635_100000685059 [0,1,0,0,0,0|1,0,1]=3 984 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 207a_100102657272_100000186741 [0,1,0,0,0,0|1,0,1]=3 985 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 270004a_106832991635_100000186741 [0,1,0,0,0,0|1,0,1]=3 986 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 207a_100102657272_100011218750 [0,1,0,0,0,0|1,0,1]=3 987 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 270004a_106832991635_100011218750 [0,1,0,0,0,0|1,0,1]=3 988 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 34a_100132302102_200000210301 [0,1,0,0,0,0|1,0,1]=3 989 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 207a_100102657272_100010174930 [0,1,0,0,0,0|1,0,1]=3 990 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 270004a_106832991635_100010174930 [0,1,0,0,0,0|1,0,1]=3 991 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_100138415774_100011375086 [0,1,0,0,0,0|1,0,1]=3 992 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_200000246283_200000210301 [0,1,0,0,0,0|1,0,1]=3 993 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 7a_200000246283_200000210301 [0,1,0,0,0,0|1,0,1]=3 994 B14R1.14946 COc1cc(c(cc1OC)CC#N)O 271570a_203496583355_100000199111 [0,1,0,0,0,0|1,0,1]=3 995 B14R1.14946 COc1cc(c(cc1OC)CCN)O 271570a_203496583355_200000215632 [0,1,0,0,0,0|1,0,1]=3 996 B14R1.14946 COc1cc(c(cc1OC)CN[13CH3])F 34a_100132302102_200025704644 [0,1,0,0,0,0|1,0,1]=3 997 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 34a_200000246283_200025704644 [0,1,0,0,0,0|1,0,1]=3 998 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 7a_200000246283_200025704644 [0,1,0,0,0,0|1,0,1]=3 999 B14R1.14946 COc1cc(c(cc1OC)CSC)Br 62a_100011375086_200000210301 [0,1,0,0,0,0|1,0,1]=3 1000 B14R1.14946 COc1cc(c(cc1OC)CS[13CH3])Br 62a_100011375086_200025704644 [0,1,0,0,0,0|1,0,1]=3 1001 B14R1.14946 COc1cc(c(cc1OC)NCF)C 34a_100000183460_100015361967 [0,1,0,0,0,0|2,0,1]=4 1002 B14R1.14946 COc1cc(c(cc1OC)NCF)F 34a_100000753170_100015361967 [0,1,0,0,0,0|2,0,1]=4 1003 B14R1.14946 COc1cc(c(cc1OC)SCF)F 62a_200011765842_100015361967 [0,1,0,0,0,0|2,0,1]=4 1004 B14R2.82 C=Cc1cc2[nH]ccc2cc1OC 271570a_100011290941_100010245486 [0,0,0,1,0,0|2,0,1]=4 1005 B14R2.82 C=Cc1cc2cc[nH]c2cc1OC 271570a_100011290941_100010245498 [0,0,0,1,0,0|2,0,1]=4 1006 B14R2.82 COc1cc2[nH]ccc2cc1SC 62a_200000210301_100010245498 [0,0,0,1,0,0|1,1,0]=3 1007 B14R2.82 COc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010245498 [0,0,0,1,0,0|1,1,0]=3 1008 B14R2.82 COc1cc2[nH]cnc2cc1SC 62a_200000210301_100010062394 [0,0,0,1,0,0|2,1,0]=4 1009 B14R2.82 COc1cc2[nH]cnc2cc1S[13CH3] 62a_200025704644_100010062394 [0,0,0,1,0,0|2,1,0]=4 1010 B14R2.82 COc1cc2cc[nH]c2cc1SC 62a_200000210301_100010245486 [0,0,0,1,0,0|1,1,0]=3 1011 B14R2.82 COc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010245486 [0,0,0,1,0,0|1,1,0]=3 1012 B14R2.82 COc1cc2cn[nH]c2cc1SC 62a_200000210301_100010074698 [0,0,0,1,0,0|2,1,0]=4 1013 B14R2.82 COc1cc2cn[nH]c2cc1S[13CH3] 62a_200025704644_100010074698 [0,0,0,1,0,0|2,1,0]=4 1014 B14R2.82 COc1cc2n[nH]cc2cc1SC 62a_200000210301_100020876381 [0,0,0,1,0,0|2,1,0]=4 1015 B14R2.82 COc1cc2n[nH]cc2cc1S[13CH3] 62a_200025704644_100020876381 [0,0,0,1,0,0|2,1,0]=4 1016 B14R2.82 COc1nc2[nH]ccc2cc1SC 62a_200000210301_100010168744 [0,0,0,1,0,0|2,1,0]=4 1017 B14R2.82 COc1nc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010168744 [0,0,0,1,0,0|2,1,0]=4 1018 B14R2.112 C=C=Cc1ccc2c(c1)CCCO2 271570a_100015277604_100011393166 [0,0,0,1,0,0|1,0,2]=4 1019 B14R2.112 C=C=Cc1ccc2c(c1)NCCO2 271570a_100015277604_100000708519 [0,0,0,1,0,0|1,0,2]=4 1020 B14R2.112 C=C=Cc1ccc2c(c1)OCCC2 271570a_100015277604_100010700467 [0,0,0,1,0,0|1,0,2]=4 1021 B14R2.112 C=C=Cc1ccc2c(c1)OCCN2 271570a_100015277604_100012355470 [0,0,0,1,0,0|1,0,2]=4 1022 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,0,0,1,0,0|0,0,2]=3 1023 B14R2.112 CC=Cc1ccc2c(c1)CCCO2 271570a_100016259895_100011393166 [0,0,0,1,0,0|1,0,2]=4 1024 B14R2.112 CC=Cc1ccc2c(c1)NCCO2 271570a_100016259895_100000708519 [0,0,0,1,0,0|1,0,2]=4 1025 B14R2.112 CC=Cc1ccc2c(c1)OCCC2 271570a_100016259895_100010700467 [0,0,0,1,0,0|1,0,2]=4 1026 B14R2.112 CC=Cc1ccc2c(c1)OCCN2 271570a_100016259895_100012355470 [0,0,0,1,0,0|1,0,2]=4 1027 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,0,0,1,0,0|0,0,2]=3 1028 B14R2.112 CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210202 [0,0,0,1,0,0|1,0,2]=4 1029 B14R2.112 CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210202 [0,0,0,1,0,0|1,0,2]=4 1030 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,0,0,1,0,0|1,0,2]=4 1031 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100000210202_100011216881 [0,0,0,1,0,0|1,0,2]=4 1032 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210202 [0,0,0,1,0,0|1,0,2]=4 1033 B14R2.112 CNCc1ccc2c(c1)CCCO2 207a_100102657272_100011934692 [0,0,0,1,0,0|2,0,1]=4 1034 B14R2.112 CNCc1ccc2c(c1)CCCO2 270004a_106832991635_100011934692 [0,0,0,1,0,0|2,0,1]=4 1035 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,0,0,1,0,0|1,0,1]=3 1036 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,0,0,1,0,0|1,0,1]=3 1037 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,0,0,1,0,0|1,0,1]=3 1038 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,0,0,1,0,0|1,0,1]=3 1039 B14R2.112 CNCc1ccc2c(n1)OCCO2 207a_100102657272_100009856165 [0,0,0,1,0,0|2,0,1]=4 1040 B14R2.112 CNCc1ccc2c(n1)OCCO2 270004a_106832991635_100009856165 [0,0,0,1,0,0|2,0,1]=4 1041 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,0,0,1,0,0|1,0,1]=3 1042 B14R2.112 FCNc1ccc2c(c1)OCCO2 34a_100020630400_100015361967 [0,0,0,1,0,0|2,0,1]=4 1043 B14R2.112 FCOc1ccc2c(c1)OCCO2 34a_100000234341_100015361967 [0,0,0,1,0,0|2,0,1]=4 1044 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100011216881_100015361967 [0,0,0,1,0,0|2,0,1]=4 1045 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100015361967_100011216881 [0,0,0,1,0,0|2,0,1]=4 1046 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,0,0,1,0,0|1,0,1]=3 1047 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,0,0,1,0,0|1,0,1]=3 1048 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,0,0,1,0,0|1,0,1]=3 1049 B14R2.1238 C=Cc1c(ccc2c1cc[nH]2)OC 271570a_100011290941_100010169049 [0,0,0,1,0,0|2,0,1]=4 1050 B14R2.1238 COc1c(ccc2c1cn[nH]2)SC 62a_200000210301_100009817061 [0,0,0,1,0,0|2,1,0]=4 1051 B14R2.1238 COc1c(ccc2c1cn[nH]2)S[13CH3] 62a_200025704644_100009817061 [0,0,0,1,0,0|2,1,0]=4 1052 B14R2.1238 COc1c(cnc2c1cc[nH]2)SC 62a_200000210301_100010174914 [0,0,0,1,0,0|2,1,0]=4 1053 B14R2.1238 COc1c(cnc2c1cc[nH]2)S[13CH3] 62a_200025704644_100010174914 [0,0,0,1,0,0|2,1,0]=4 1054 B14R2.1238 COc1ccc2[nH]ccc2c1SC 62a_200000210301_100010169049 [0,0,0,1,0,0|1,1,0]=3 1055 B14R2.1238 COc1ccc2[nH]ccc2c1S[13CH3] 62a_200025704644_100010169049 [0,0,0,1,0,0|1,1,0]=3 1056 B14R2.1238 COc1ccc2[nH]ncc2c1SC 62a_200000210301_100010125576 [0,0,0,1,0,0|2,1,0]=4 1057 B14R2.1238 COc1ccc2[nH]ncc2c1S[13CH3] 62a_200025704644_100010125576 [0,0,0,1,0,0|2,1,0]=4 1058 B14R2.1238 COc1cnc2[nH]ccc2c1SC 62a_200000210301_100000097410 [0,0,0,1,0,0|2,1,0]=4 1059 B14R2.1238 COc1cnc2[nH]ccc2c1S[13CH3] 62a_200025704644_100000097410 [0,0,0,1,0,0|2,1,0]=4 1060 B14R2.3062 CCc1cc(ccc1OC)C2CC2 271570a_100011220607_200010179862 [0,0,0,1,0,0|1,0,2]=4 1061 B14R2.3062 CCc1ccc(cc1OC)C2CC2 271570a_100011220607_200010710398 [0,0,0,1,0,0|1,0,2]=4 1062 B14R2.3062 COc1cc(ccc1SC)C2CC2 271570a_100011220607_200011001119 [0,0,0,1,0,0|0,1,2]=4 1063 B14R2.3062 COc1cc(cnc1OC)C2CC2 271570a_100011220607_100010234541 [0,0,0,1,0,0|1,0,2]=4 1064 B14R2.3062 COc1ccc(cc1OC)C2CC2 271570a_100011220607_100000187503 [0,0,0,1,0,0|0,0,2]=3 1065 B14R2.3062 COc1ccc(cc1SC)C2CC2 271570a_100011220607_200009892704 [0,0,0,1,0,0|0,1,2]=4 1066 B14R2.3062 COc1ccc(nc1OC)C2CC2 271570a_100011220607_100010214848 [0,0,0,1,0,0|1,0,2]=4 1067 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [2,0,0,0,0,0|1,0,1]=4 1068 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [2,0,0,0,0,0|1,0,1]=4 1069 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [2,0,0,0,0,0|2,0,0]=4 1070 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [2,0,0,0,0,0|2,0,0]=4 1071 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [2,0,0,0,0,0|1,0,0]=3 1072 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [2,0,0,0,0,0|1,0,0]=3 1073 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [2,0,0,0,0,0|2,0,0]=4 1074 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [2,0,0,0,0,0|2,0,0]=4 1075 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [2,0,0,0,0,0|2,0,0]=4 1076 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [2,0,0,0,0,0|2,0,0]=4 1077 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [2,0,0,0,0,0|2,0,0]=4 1078 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [2,0,0,0,0,0|1,0,0]=3 1079 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [2,0,0,0,0,0|1,0,0]=3 1080 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [2,0,0,0,0,0|2,0,0]=4 1081 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [2,0,0,0,0,0|2,0,0]=4 1082 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [2,0,0,0,0,0|2,0,0]=4 1083 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [2,0,0,0,0,0|2,0,0]=4 1084 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [2,0,0,0,0,0|2,0,0]=4 1085 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [2,0,0,0,0,0|2,0,0]=4 1086 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [2,0,0,0,0,0|2,0,0]=4 1087 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [2,0,0,0,0,0|2,0,0]=4 1088 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [2,0,0,0,0,0|1,0,0]=3 1089 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [2,0,0,0,0,0|1,0,0]=3 1090 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [2,0,0,0,0,0|2,0,0]=4 1091 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [2,0,0,0,0,0|2,0,0]=4 1092 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [2,0,0,0,0,0|2,0,0]=4 1093 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [2,0,0,0,0,0|1,0,0]=3 1094 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [2,0,0,0,0,0|1,0,0]=3 1095 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [2,0,0,0,0,0|2,0,0]=4 1096 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [2,0,0,0,0,0|2,0,0]=4 1097 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [2,0,0,0,0,0|2,0,0]=4 1098 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [2,0,0,0,0,0|2,0,0]=4 1099 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [2,0,0,0,0,0|1,1,0]=4 1100 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [2,0,0,0,0,0|1,1,0]=4 1101 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [2,0,0,0,0,0|1,1,0]=4 1102 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [2,0,0,0,0,0|1,1,0]=4 1103 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [2,0,0,0,0,0|2,0,0]=4 1104 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [2,0,0,0,0,0|2,0,0]=4 1105 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [2,0,0,0,0,0|2,0,0]=4 1106 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [2,0,0,0,0,0|1,0,0]=3 1107 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [2,0,0,0,0,0|1,0,0]=3 1108 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [2,0,0,0,0,0|2,0,0]=4 1109 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [2,0,0,0,0,0|2,0,0]=4 1110 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [2,0,0,0,0,0|2,0,0]=4 1111 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [2,0,0,0,0,0|2,0,0]=4 1112 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [2,0,0,0,0,0|1,0,0]=3 1113 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [2,0,0,0,0,0|1,0,0]=3 1114 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [2,0,0,0,0,0|0,0,0]=2 1115 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [2,0,0,0,0,0|1,0,0]=3 1116 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [2,0,0,0,0,0|1,0,0]=3 1117 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [2,0,0,0,0,0|1,0,0]=3 1118 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [2,0,0,0,0,0|1,0,0]=3 1119 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [2,0,0,0,0,0|1,0,0]=3 1120 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [2,0,0,0,0,0|1,1,0]=4 1121 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [2,0,0,0,0,0|1,1,0]=4 1122 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [2,0,0,0,0,0|0,1,0]=3 1123 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [2,0,0,0,0,0|0,1,0]=3 1124 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [2,0,0,0,0,0|1,1,0]=4 1125 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [2,0,0,0,0,0|1,1,0]=4 1126 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [2,0,0,0,0,0|1,1,0]=4 1127 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [2,0,0,0,0,0|1,1,0]=4 1128 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [2,0,0,0,0,0|1,1,0]=4 1129 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [2,0,0,0,0,0|1,1,0]=4 1130 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [2,0,0,0,0,0|1,1,0]=4 1131 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [2,0,0,0,0,0|1,1,0]=4 1132 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [2,0,0,0,0,0|1,1,0]=4 1133 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [2,0,0,0,0,0|1,1,0]=4 1134 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [2,0,0,0,0,0|0,1,0]=3 1135 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [2,0,0,0,0,0|0,1,0]=3 1136 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [2,0,0,0,0,0|1,1,0]=4 1137 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [2,0,0,0,0,0|1,1,0]=4 1138 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [2,0,0,0,0,0|1,1,0]=4 1139 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [2,0,0,0,0,0|1,1,0]=4 1140 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [2,0,0,0,0,0|1,1,0]=4 1141 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [2,0,0,0,0,0|1,1,0]=4 1142 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [2,0,0,0,0,0|1,1,0]=4 1143 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [2,0,0,0,0,0|2,0,0]=4 1144 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [2,0,0,0,0,0|2,0,0]=4 1145 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [2,0,0,0,0,0|2,0,0]=4 1146 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [2,0,0,0,0,0|2,0,0]=4 1147 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [2,0,0,0,0,0|1,1,0]=4 1148 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [2,0,0,0,0,0|1,1,0]=4 1149 B11R1.37 COc1cc(ncc1SC)C 62a_100000717771_200000210301 [2,0,0,0,0,0|1,1,0]=4 1150 B11R1.37 COc1cc(ncc1SC)C 62a_200000210301_100000717771 [2,0,0,0,0,0|1,1,0]=4 1151 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_100000717771_200025704644 [2,0,0,0,0,0|1,1,0]=4 1152 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_200025704644_100000717771 [2,0,0,0,0,0|1,1,0]=4 1153 B11R1.37 COc1ccc(cc1C#N)C 34a_200012180384_200000210301 [2,0,0,0,0,0|2,0,0]=4 1154 B11R1.37 COc1ccc(cc1C#N)C 7a_200012180384_200000210301 [2,0,0,0,0,0|2,0,0]=4 1155 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [2,0,0,0,0,0|2,0,0]=4 1156 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [2,0,0,0,0,0|2,0,0]=4 1157 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [2,0,0,0,0,0|2,0,0]=4 1158 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [2,0,0,0,0,0|1,0,0]=3 1159 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [2,0,0,0,0,0|1,0,0]=3 1160 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [2,0,0,0,0,0|2,0,0]=4 1161 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [2,0,0,0,0,0|2,0,0]=4 1162 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [2,0,0,0,0,0|1,0,0]=3 1163 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [2,0,0,0,0,0|1,0,0]=3 1164 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [2,0,0,0,0,0|1,0,0]=3 1165 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [2,0,0,0,0,0|1,0,0]=3 1166 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [2,0,0,0,0,0|0,0,0]=2 1167 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [2,0,0,0,0,0|0,0,0]=2 1168 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [2,0,0,0,0,0|0,0,0]=2 1169 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [2,0,0,0,0,0|1,0,0]=3 1170 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [2,0,0,0,0,0|1,0,0]=3 1171 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [2,0,0,0,0,0|1,0,0]=3 1172 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [2,0,0,0,0,0|1,0,0]=3 1173 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [2,0,0,0,0,0|1,0,0]=3 1174 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [2,0,0,0,0,0|1,0,0]=3 1175 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [2,0,0,0,0,0|1,0,0]=3 1176 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [2,0,0,0,0,0|1,0,0]=3 1177 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [2,0,0,0,0,0|1,0,0]=3 1178 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [2,0,0,0,0,0|1,0,0]=3 1179 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [2,0,0,0,0,0|1,0,0]=3 1180 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [2,0,0,0,0,0|1,0,0]=3 1181 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [2,0,0,0,0,0|1,0,0]=3 1182 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [2,0,0,0,0,0|0,0,0]=2 1183 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [2,0,0,0,0,0|0,0,0]=2 1184 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [2,0,0,0,0,0|1,0,0]=3 1185 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [2,0,0,0,0,0|1,0,0]=3 1186 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [2,0,0,0,0,0|1,0,0]=3 1187 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [2,0,0,0,0,0|1,0,0]=3 1188 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [2,0,0,0,0,0|1,0,0]=3 1189 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [2,0,0,0,0,0|1,1,0]=4 1190 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [2,0,0,0,0,0|1,1,0]=4 1191 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [2,0,0,0,0,0|0,1,0]=3 1192 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [2,0,0,0,0,0|0,1,0]=3 1193 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [2,0,0,0,0,0|1,1,0]=4 1194 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [2,0,0,0,0,0|1,1,0]=4 1195 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [2,0,0,0,0,0|1,1,0]=4 1196 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [2,0,0,0,0,0|1,1,0]=4 1197 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [2,0,0,0,0,0|1,1,0]=4 1198 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [2,0,0,0,0,0|1,1,0]=4 1199 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [2,0,0,0,0,0|1,1,0]=4 1200 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [2,0,0,0,0,0|1,1,0]=4 1201 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [2,0,0,0,0,0|1,1,0]=4 1202 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [2,0,0,0,0,0|1,1,0]=4 1203 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [2,0,0,0,0,0|1,1,0]=4 1204 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [2,0,0,0,0,0|0,1,0]=3 1205 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [2,0,0,0,0,0|0,1,0]=3 1206 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [2,0,0,0,0,0|1,1,0]=4 1207 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [2,0,0,0,0,0|1,1,0]=4 1208 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [2,0,0,0,0,0|1,1,0]=4 1209 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [2,0,0,0,0,0|1,1,0]=4 1210 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [2,0,0,0,0,0|1,1,0]=4 1211 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [2,0,0,0,0,0|1,1,0]=4 1212 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [2,0,0,0,0,0|1,1,0]=4 1213 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [2,0,0,0,0,0|1,1,0]=4 1214 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [2,0,0,0,0,0|2,0,0]=4 1215 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [2,0,0,0,0,0|2,0,0]=4 1216 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [2,0,0,0,0,0|1,1,0]=4 1217 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [2,0,0,0,0,0|1,1,0]=4 1218 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [2,0,0,0,0,0|1,1,0]=4 1219 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [2,0,0,0,0,0|1,1,0]=4 1220 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [2,0,0,0,0,0|2,0,0]=4 1221 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [2,0,0,0,0,0|2,0,0]=4 1222 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [2,0,0,0,0,0|2,0,0]=4 1223 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [2,0,0,0,0,0|2,0,0]=4 1224 B11R1.37 COc1cnc(cc1SC)C 62a_100010109759_200000210301 [2,0,0,0,0,0|1,1,0]=4 1225 B11R1.37 COc1cnc(cc1SC)C 62a_200000210301_100010109759 [2,0,0,0,0,0|1,1,0]=4 1226 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_100010109759_200025704644 [2,0,0,0,0,0|1,1,0]=4 1227 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_200025704644_100010109759 [2,0,0,0,0,0|1,1,0]=4 1228 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [2,0,0,0,0,0|2,0,0]=4 1229 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [2,0,0,0,0,0|1,1,0]=4 1230 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [2,0,0,0,0,0|1,1,0]=4 1231 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [2,0,0,0,0,0|1,1,0]=4 1232 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [2,0,0,0,0,0|1,1,0]=4 1233 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [2,0,0,0,0,0|2,0,0]=4 1234 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [2,0,0,0,0,0|1,1,0]=4 1235 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [2,0,0,0,0,0|1,1,0]=4 1236 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [2,0,0,0,0,0|1,1,0]=4 1237 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [2,0,0,0,0,0|1,1,0]=4 1238 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [2,0,0,0,0,0|0,2,0]=4 1239 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [2,0,0,0,0,0|0,2,0]=4 1240 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [2,0,0,0,0,0|0,2,0]=4 1241 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [2,0,0,0,0,0|0,2,0]=4 1242 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [2,0,0,0,0,0|0,2,0]=4 1243 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [2,0,0,0,0,0|0,2,0]=4 1244 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [2,0,0,0,0,0|0,2,0]=4 1245 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [2,0,0,0,0,0|0,2,0]=4 1246 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 34a_200012180384_200025704644 [2,0,0,0,0,0|2,0,0]=4 1247 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 7a_200012180384_200025704644 [2,0,0,0,0,0|2,0,0]=4 1248 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [2,0,0,0,0,0|2,0,0]=4 1249 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [2,0,0,0,0,0|2,0,0]=4 1250 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [2,0,0,0,0,0|2,0,0]=4 1251 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [2,0,0,0,0,0|2,0,0]=4 1252 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [2,0,0,0,0,0|2,0,0]=4 1253 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [2,0,0,0,0,0|1,0,0]=3 1254 B11R1.279 C=Cc1cc(c(nn1)OC)C 271570a_100011290941_100010272851 [2,0,0,0,0,0|2,0,0]=4 1255 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [2,0,0,0,0,0|1,0,0]=3 1256 B11R1.279 C=Cc1ccc(c(c1)C)C#N 271570a_100011290941_100000687762 [2,0,0,0,0,0|2,0,0]=4 1257 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [2,0,0,0,0,0|2,0,0]=4 1258 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [2,0,0,0,0,0|2,0,0]=4 1259 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [2,0,0,0,0,0|2,0,0]=4 1260 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [2,0,0,0,0,0|2,0,0]=4 1261 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [2,0,0,0,0,0|1,0,0]=3 1262 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [2,0,0,0,0,0|2,0,0]=4 1263 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [2,0,0,0,0,0|0,0,0]=2 1264 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [2,0,0,0,0,0|1,0,0]=3 1265 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [2,0,0,0,0,0|1,1,0]=4 1266 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [2,0,0,0,0,0|2,0,0]=4 1267 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [2,0,0,0,0,0|2,0,0]=4 1268 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [2,0,0,0,0,0|1,0,0]=3 1269 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [2,0,0,0,0,0|1,1,0]=4 1270 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [2,0,0,0,0,0|2,0,0]=4 1271 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [2,0,0,0,0,0|2,0,0]=4 1272 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [2,0,0,0,0,0|1,0,0]=3 1273 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [2,0,0,0,0,0|2,0,0]=4 1274 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [2,0,0,0,0,0|2,0,0]=4 1275 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [2,0,0,0,0,0|2,0,0]=4 1276 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [2,0,0,0,0,0|0,0,0]=2 1277 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [2,0,0,0,0,0|2,0,0]=4 1278 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [2,0,0,0,0,0|1,0,0]=3 1279 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [2,0,0,0,0,0|2,0,0]=4 1280 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [2,0,0,0,0,0|2,0,0]=4 1281 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [2,0,0,0,0,0|2,0,0]=4 1282 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [2,0,0,0,0,0|2,0,0]=4 1283 B11R1.279 C=Cc1cnc(c(c1)C)NC 271570a_100011290941_100012357622 [2,0,0,0,0,0|2,0,0]=4 1284 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [2,0,0,0,0,0|1,0,0]=3 1285 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [2,0,0,0,0,0|2,0,0]=4 1286 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [2,0,0,0,0,0|2,0,0]=4 1287 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [2,0,0,0,0,0|1,0,0]=3 1288 B11R1.279 C=Cc1ncc(c(n1)C)OC 271570a_100011290941_100010382893 [2,0,0,0,0,0|2,0,0]=4 1289 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [2,0,0,0,0,0|1,0,1]=4 1290 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [2,0,0,0,0,0|1,0,1]=4 1291 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [2,0,0,0,0,0|1,0,1]=4 1292 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [2,0,0,0,0,0|1,0,1]=4 1293 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [2,0,0,0,0,0|1,0,1]=4 1294 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [2,0,0,0,0,0|1,0,1]=4 1295 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [2,0,0,0,0,0|1,0,1]=4 1296 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [2,0,0,0,0,0|1,0,1]=4 1297 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [2,0,0,0,0,0|1,0,1]=4 1298 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [2,0,0,0,0,0|1,0,1]=4 1299 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [2,0,0,0,0,0|1,0,1]=4 1300 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [2,0,0,0,0,0|1,0,1]=4 1301 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [2,0,0,0,0,0|1,0,1]=4 1302 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [2,0,0,0,0,0|1,0,1]=4 1303 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 1304 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 1305 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [2,0,0,0,0,0|0,0,1]=3 1306 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [2,0,0,0,0,0|1,0,1]=4 1307 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [2,0,0,0,0,0|1,0,1]=4 1308 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [2,0,0,0,0,0|1,0,1]=4 1309 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [2,0,0,0,0,0|1,0,1]=4 1310 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [2,0,0,0,0,0|1,0,1]=4 1311 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [2,0,0,0,0,0|2,0,0]=4 1312 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [2,0,0,0,0,0|2,0,0]=4 1313 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [2,0,0,0,0,0|2,0,0]=4 1314 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [2,0,0,0,0,0|1,0,1]=4 1315 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [2,0,0,0,0,0|1,0,1]=4 1316 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [2,0,0,0,0,0|1,0,1]=4 1317 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [2,0,0,0,0,0|1,0,1]=4 1318 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [2,0,0,0,0,0|1,0,1]=4 1319 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [2,0,0,0,0,0|1,0,1]=4 1320 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [2,0,0,0,0,0|1,0,1]=4 1321 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [2,0,0,0,0,0|2,0,0]=4 1322 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [2,0,0,0,0,0|2,0,0]=4 1323 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [2,0,0,0,0,0|1,0,1]=4 1324 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [2,0,0,0,0,0|1,0,1]=4 1325 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [2,0,0,0,0,0|1,0,0]=3 1326 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [2,0,0,0,0,0|1,0,0]=3 1327 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [2,0,0,0,0,0|1,0,1]=4 1328 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [2,0,0,0,0,0|1,0,1]=4 1329 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [2,0,0,0,0,0|1,0,1]=4 1330 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [2,0,0,0,0,0|1,0,1]=4 1331 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [2,0,0,0,0,0|1,0,1]=4 1332 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [2,0,0,0,0,0|1,0,1]=4 1333 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [2,0,0,0,0,0|1,0,1]=4 1334 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [2,0,0,0,0,0|1,0,1]=4 1335 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [2,0,0,0,0,0|1,0,1]=4 1336 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [2,0,0,0,0,0|2,0,0]=4 1337 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [2,0,0,0,0,0|2,0,0]=4 1338 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [2,0,0,0,0,0|1,0,1]=4 1339 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [2,0,0,0,0,0|1,0,0]=3 1340 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [2,0,0,0,0,0|1,0,0]=3 1341 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [2,0,0,0,0,0|1,0,0]=3 1342 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [2,0,0,0,0,0|1,0,1]=4 1343 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [2,0,0,0,0,0|1,0,1]=4 1344 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [2,0,0,0,0,0|1,0,1]=4 1345 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [2,0,0,0,0,0|2,0,0]=4 1346 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [2,0,0,0,0,0|2,0,0]=4 1347 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [2,0,0,0,0,0|2,0,0]=4 1348 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [2,0,0,0,0,0|2,0,0]=4 1349 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [2,0,0,0,0,0|1,1,0]=4 1350 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [2,0,0,0,0,0|1,1,0]=4 1351 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [2,0,0,0,0,0|1,1,0]=4 1352 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [2,0,0,0,0,0|1,1,0]=4 1353 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [2,0,0,0,0,0|1,1,0]=4 1354 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [2,0,0,0,0,0|1,1,0]=4 1355 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [2,0,0,0,0,0|1,1,0]=4 1356 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [2,0,0,0,0,0|1,1,0]=4 1357 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [2,0,0,0,0,0|1,1,0]=4 1358 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [2,0,0,0,0,0|1,1,0]=4 1359 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [2,0,0,0,0,0|2,0,0]=4 1360 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [2,0,0,0,0,0|2,0,0]=4 1361 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [2,0,0,0,0,0|1,0,1]=4 1362 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [2,0,0,0,0,0|1,0,1]=4 1363 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [2,0,0,0,0,0|1,0,0]=3 1364 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [2,0,0,0,0,0|1,0,0]=3 1365 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [2,0,0,0,0,0|1,1,0]=4 1366 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [2,0,0,0,0,0|1,1,0]=4 1367 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [2,0,0,0,0,0|1,1,0]=4 1368 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [2,0,0,0,0,0|1,1,0]=4 1369 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [2,0,0,0,0,0|1,1,0]=4 1370 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [2,0,0,0,0,0|1,1,0]=4 1371 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [2,0,0,0,0,0|2,0,0]=4 1372 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [2,0,0,0,0,0|2,0,0]=4 1373 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [2,0,0,0,0,0|2,0,0]=4 1374 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [2,0,0,0,0,0|2,0,0]=4 1375 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [2,0,0,0,0,0|1,1,0]=4 1376 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [2,0,0,0,0,0|1,1,0]=4 1377 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [2,0,0,0,0,0|1,1,0]=4 1378 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [2,0,0,0,0,0|1,1,0]=4 1379 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [2,0,0,0,0,0|1,0,1]=4 1380 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [2,0,0,0,0,0|1,0,0]=3 1381 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [2,0,0,0,0,0|2,0,0]=4 1382 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [2,0,0,0,0,0|2,0,0]=4 1383 B11R1.280 C=Cc1ccc(c(c1)C#N)C 271570a_100011290941_100000698047 [2,0,0,0,0,0|2,0,0]=4 1384 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [2,0,0,0,0,0|2,0,0]=4 1385 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [2,0,0,0,0,0|2,0,0]=4 1386 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [2,0,0,0,0,0|2,0,0]=4 1387 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [2,0,0,0,0,0|2,0,0]=4 1388 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [2,0,0,0,0,0|2,0,0]=4 1389 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [2,0,0,0,0,0|2,0,0]=4 1390 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [2,0,0,0,0,0|1,0,0]=3 1391 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [2,0,0,0,0,0|2,0,0]=4 1392 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [2,0,0,0,0,0|2,0,0]=4 1393 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [2,0,0,0,0,0|2,0,0]=4 1394 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [2,0,0,0,0,0|1,0,0]=3 1395 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [2,0,0,0,0,0|2,0,0]=4 1396 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [2,0,0,0,0,0|2,0,0]=4 1397 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [2,0,0,0,0,0|1,0,0]=3 1398 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [2,0,0,0,0,0|0,0,0]=2 1399 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [2,0,0,0,0,0|1,0,0]=3 1400 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [2,0,0,0,0,0|1,0,0]=3 1401 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [2,0,0,0,0,0|1,0,0]=3 1402 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [2,0,0,0,0,0|0,0,0]=2 1403 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [2,0,0,0,0,0|1,1,0]=4 1404 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [2,0,0,0,0,0|2,0,0]=4 1405 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [2,0,0,0,0,0|1,0,0]=3 1406 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [2,0,0,0,0,0|1,0,0]=3 1407 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [2,0,0,0,0,0|2,0,0]=4 1408 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [2,0,0,0,0,0|2,0,0]=4 1409 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [2,0,0,0,0,0|2,0,0]=4 1410 B11R1.280 C=Cc1ncc(c(n1)OC)C 271570a_100011290941_100012500371 [2,0,0,0,0,0|2,0,0]=4 1411 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [2,0,0,0,0,0|1,0,1]=4 1412 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [2,0,0,0,0,0|1,0,1]=4 1413 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [2,0,0,0,0,0|1,0,1]=4 1414 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [2,0,0,0,0,0|1,0,1]=4 1415 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [2,0,0,0,0,0|1,0,1]=4 1416 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [2,0,0,0,0,0|1,0,1]=4 1417 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [2,0,0,0,0,0|1,0,1]=4 1418 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [2,0,0,0,0,0|1,0,1]=4 1419 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 1420 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 1421 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [2,0,0,0,0,0|0,0,1]=3 1422 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 1423 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 1424 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [2,0,0,0,0,0|0,1,1]=4 1425 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [2,0,0,0,0,0|0,1,1]=4 1426 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [2,0,0,0,0,0|0,1,1]=4 1427 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [2,0,0,0,0,0|0,1,1]=4 1428 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [2,0,0,0,0,0|2,0,0]=4 1429 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [2,0,0,0,0,0|2,0,0]=4 1430 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [2,0,0,0,0,0|2,0,0]=4 1431 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [2,0,0,0,0,0|1,0,1]=4 1432 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [2,0,0,0,0,0|1,0,1]=4 1433 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [2,0,0,0,0,0|1,0,1]=4 1434 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [2,0,0,0,0,0|2,0,0]=4 1435 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [2,0,0,0,0,0|2,0,0]=4 1436 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [2,0,0,0,0,0|1,0,1]=4 1437 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [2,0,0,0,0,0|1,0,1]=4 1438 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [2,0,0,0,0,0|1,0,1]=4 1439 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [2,0,0,0,0,0|1,0,1]=4 1440 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [2,0,0,0,0,0|1,0,1]=4 1441 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [2,0,0,0,0,0|1,0,1]=4 1442 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [2,0,0,0,0,0|1,0,1]=4 1443 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [2,0,0,0,0,0|1,0,1]=4 1444 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [2,0,0,0,0,0|1,0,1]=4 1445 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [2,0,0,0,0,0|1,0,1]=4 1446 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [2,0,0,0,0,0|2,0,0]=4 1447 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [2,0,0,0,0,0|2,0,0]=4 1448 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [2,0,0,0,0,0|2,0,0]=4 1449 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [2,0,0,0,0,0|2,0,0]=4 1450 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [2,0,0,0,0,0|2,0,0]=4 1451 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [2,0,0,0,0,0|2,0,0]=4 1452 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [2,0,0,0,0,0|2,0,0]=4 1453 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [2,0,0,0,0,0|2,0,0]=4 1454 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [2,0,0,0,0,0|1,0,1]=4 1455 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [2,0,0,0,0,0|1,0,0]=3 1456 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [2,0,0,0,0,0|1,0,0]=3 1457 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [2,0,0,0,0,0|1,0,1]=4 1458 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [2,0,0,0,0,0|1,0,1]=4 1459 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [2,0,0,0,0,0|1,0,1]=4 1460 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [2,0,0,0,0,0|2,0,0]=4 1461 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [2,0,0,0,0,0|1,0,1]=4 1462 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [2,0,0,0,0,0|1,0,1]=4 1463 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [2,0,0,0,0,0|1,0,1]=4 1464 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [2,0,0,0,0,0|1,0,1]=4 1465 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [2,0,0,0,0,0|1,0,1]=4 1466 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [2,0,0,0,0,0|1,0,1]=4 1467 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [2,0,0,0,0,0|1,0,1]=4 1468 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [2,0,0,0,0,0|1,1,0]=4 1469 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [2,0,0,0,0,0|1,1,0]=4 1470 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [2,0,0,0,0,0|1,1,0]=4 1471 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [2,0,0,0,0,0|1,1,0]=4 1472 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [2,0,0,0,0,0|1,1,0]=4 1473 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [2,0,0,0,0,0|1,1,0]=4 1474 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [2,0,0,0,0,0|1,1,0]=4 1475 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [2,0,0,0,0,0|1,1,0]=4 1476 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [2,0,0,0,0,0|2,0,0]=4 1477 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [2,0,0,0,0,0|2,0,0]=4 1478 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [2,0,0,0,0,0|1,0,1]=4 1479 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [2,0,0,0,0,0|1,0,1]=4 1480 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [2,0,0,0,0,0|1,1,0]=4 1481 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [2,0,0,0,0,0|1,1,0]=4 1482 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [2,0,0,0,0,0|1,1,0]=4 1483 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [2,0,0,0,0,0|1,1,0]=4 1484 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [2,0,0,0,0,0|2,0,0]=4 1485 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [2,0,0,0,0,0|2,0,0]=4 1486 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [2,0,0,0,0,0|2,0,0]=4 1487 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [2,0,0,0,0,0|2,0,0]=4 1488 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [2,0,0,0,0,0|2,0,0]=4 1489 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [2,0,0,0,0,0|2,0,0]=4 1490 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [2,0,0,0,0,0|2,0,0]=4 1491 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [2,0,0,0,0,0|2,0,0]=4 1492 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [2,0,0,0,0,0|2,0,0]=4 1493 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [2,0,0,0,0,0|2,0,0]=4 1494 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [2,0,0,0,0,0|2,0,0]=4 1495 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [2,0,0,0,0,0|1,1,0]=4 1496 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [2,0,0,0,0,0|1,1,0]=4 1497 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [2,0,0,0,0,0|1,1,0]=4 1498 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [2,0,0,0,0,0|1,1,0]=4 1499 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [2,0,0,0,0,0|0,0,2]=4 1500 B11R1.189 C=CCc1cccc(c1)C=C 271570a_100011290941_100009816576 [2,0,0,0,0,0|1,0,1]=4 1501 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [2,0,0,0,0,0|0,1,0]=3 1502 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [2,0,0,0,0,0|0,1,0]=3 1503 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [2,0,0,0,0,0|0,1,0]=3 1504 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [2,0,0,0,0,0|0,1,0]=3 1505 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [2,0,0,0,0,0|0,0,2]=4 1506 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [2,0,0,0,0,0|0,0,2]=4 1507 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [2,0,0,0,0,0|0,0,2]=4 1508 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [2,0,0,0,0,0|0,0,2]=4 1509 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [2,0,0,0,0,0|0,0,2]=4 1510 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [2,0,0,0,0,0|1,0,1]=4 1511 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [2,0,0,0,0,0|1,0,1]=4 1512 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [2,0,0,0,0,0|1,0,1]=4 1513 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [2,0,0,0,0,0|1,0,1]=4 1514 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [2,0,0,0,0,0|1,0,1]=4 1515 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [2,0,0,0,0,0|1,0,1]=4 1516 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [2,0,0,0,0,0|1,0,1]=4 1517 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [2,0,0,0,0,0|1,0,1]=4 1518 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [2,0,0,0,0,0|1,0,1]=4 1519 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [2,0,0,0,0,0|1,0,1]=4 1520 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [2,0,0,0,0,0|1,0,1]=4 1521 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [2,0,0,0,0,0|1,0,1]=4 1522 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [2,0,0,0,0,0|1,0,1]=4 1523 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [2,0,0,0,0,0|1,0,1]=4 1524 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [2,0,0,0,0,0|1,0,1]=4 1525 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [2,0,0,0,0,0|1,0,1]=4 1526 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [2,0,0,0,0,0|2,0,0]=4 1527 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [2,0,0,0,0,0|1,0,1]=4 1528 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [2,0,0,0,0,0|1,0,1]=4 1529 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [2,0,0,0,0,0|1,0,1]=4 1530 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [2,0,0,0,0,0|1,0,1]=4 1531 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [2,0,0,0,0,0|1,0,1]=4 1532 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [2,0,0,0,0,0|1,0,1]=4 1533 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [2,0,0,0,0,0|1,0,1]=4 1534 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [2,0,0,0,0,0|1,1,0]=4 1535 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [2,0,0,0,0,0|1,1,0]=4 1536 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [2,0,0,0,0,0|1,0,1]=4 1537 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [2,0,0,0,0,0|1,0,1]=4 1538 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [2,0,0,0,0,0|1,0,1]=4 1539 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [2,0,0,0,0,0|1,0,1]=4 1540 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [2,0,0,0,0,0|2,0,0]=4 1541 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [2,0,0,0,0,0|1,1,0]=4 1542 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [2,0,0,0,0,0|1,1,0]=4 1543 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [2,0,0,0,0,0|0,0,2]=4 1544 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [2,0,0,0,0,0|0,0,2]=4 1545 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [2,0,0,0,0,0|0,0,2]=4 1546 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [2,0,0,0,0,0|0,0,2]=4 1547 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [2,0,0,0,0,0|0,0,2]=4 1548 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [2,0,0,0,0,0|0,0,2]=4 1549 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [2,0,0,0,0,0|0,0,2]=4 1550 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [2,0,0,0,0,0|0,0,2]=4 1551 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [2,0,0,0,0,0|1,0,1]=4 1552 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [2,0,0,0,0,0|1,0,1]=4 1553 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [2,0,0,0,0,0|1,0,1]=4 1554 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [2,0,0,0,0,0|1,0,1]=4 1555 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [2,0,0,0,0,0|1,0,1]=4 1556 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [2,0,0,0,0,0|1,0,1]=4 1557 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [2,0,0,0,0,0|1,0,1]=4 1558 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [2,0,0,0,0,0|1,0,1]=4 1559 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [2,0,0,0,0,0|1,0,1]=4 1560 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [2,0,0,0,0,0|1,0,1]=4 1561 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [2,0,0,0,0,0|1,0,1]=4 1562 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [2,0,0,0,0,0|1,0,1]=4 1563 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [2,0,0,0,0,0|1,0,1]=4 1564 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [2,0,0,0,0,0|1,0,1]=4 1565 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [2,0,0,0,0,0|1,0,1]=4 1566 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [2,0,0,0,0,0|1,0,1]=4 1567 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [2,0,0,0,0,0|1,0,1]=4 1568 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [2,0,0,0,0,0|1,0,1]=4 1569 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [2,0,0,0,0,0|1,0,1]=4 1570 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [2,0,0,0,0,0|1,0,1]=4 1571 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [2,0,0,0,0,0|1,0,1]=4 1572 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [2,0,0,0,0,0|1,0,1]=4 1573 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [2,0,0,0,0,0|0,0,2]=4 1574 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [2,0,0,0,0,0|0,0,0]=2 1575 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [2,0,0,0,0,0|0,0,0]=2 1576 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [2,0,0,0,0,0|0,0,0]=2 1577 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [2,0,0,0,0,0|0,0,0]=2 1578 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [2,0,0,0,0,0|1,1,0]=4 1579 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [2,0,0,0,0,0|1,1,0]=4 1580 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [2,0,0,0,0,0|1,1,0]=4 1581 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [2,0,0,0,0,0|1,1,0]=4 1582 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [2,0,0,0,0,0|0,0,2]=4 1583 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [2,0,0,0,0,0|0,0,2]=4 1584 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [2,0,0,0,0,0|0,0,2]=4 1585 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [2,0,0,0,0,0|0,0,2]=4 1586 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [2,0,0,0,0,0|0,0,2]=4 1587 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [2,0,0,0,0,0|1,0,1]=4 1588 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [2,0,0,0,0,0|1,0,1]=4 1589 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [2,0,0,0,0,0|1,0,1]=4 1590 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [2,0,0,0,0,0|1,0,1]=4 1591 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [2,0,0,0,0,0|1,0,1]=4 1592 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [2,0,0,0,0,0|1,0,1]=4 1593 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [2,0,0,0,0,0|1,0,1]=4 1594 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [2,0,0,0,0,0|1,0,1]=4 1595 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [2,0,0,0,0,0|1,0,1]=4 1596 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [2,0,0,0,0,0|1,0,1]=4 1597 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [2,0,0,0,0,0|1,0,1]=4 1598 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [2,0,0,0,0,0|1,0,1]=4 1599 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [2,0,0,0,0,0|1,0,1]=4 1600 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [2,0,0,0,0,0|1,0,1]=4 1601 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [2,0,0,0,0,0|1,0,1]=4 1602 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [2,0,0,0,0,0|1,0,1]=4 1603 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [2,0,0,0,0,0|1,0,1]=4 1604 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [2,0,0,0,0,0|1,0,1]=4 1605 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [2,0,0,0,0,0|1,0,1]=4 1606 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [2,0,0,0,0,0|1,0,1]=4 1607 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [2,0,0,0,0,0|1,0,1]=4 1608 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [2,0,0,0,0,0|1,0,1]=4 1609 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [2,0,0,0,0,0|1,0,1]=4 1610 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [2,0,0,0,0,0|1,0,1]=4 1611 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [2,0,0,0,0,0|1,0,1]=4 1612 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [2,0,0,0,0,0|1,0,1]=4 1613 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [2,0,0,0,0,0|1,1,0]=4 1614 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [2,0,0,0,0,0|1,1,0]=4 1615 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [2,0,0,0,0,0|1,0,1]=4 1616 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [2,0,0,0,0,0|1,0,1]=4 1617 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [2,0,0,0,0,0|1,0,1]=4 1618 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [2,0,0,0,0,0|1,0,1]=4 1619 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [2,0,0,0,0,0|1,0,1]=4 1620 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [2,0,0,0,0,0|1,0,1]=4 1621 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [2,0,0,0,0,0|1,0,1]=4 1622 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [2,0,0,0,0,0|1,1,0]=4 1623 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [2,0,0,0,0,0|1,1,0]=4 1624 B13R1.99 C=C(C)c1ccc(cc1OC)C=O 271570a_100000694244_100010244714 [1,1,0,0,0,0|2,0,0]=4 1625 B13R1.99 C=C(C)c1ccc(cc1OC)CC 271570a_100000694244_200010710389 [1,1,0,0,0,0|1,0,1]=4 1626 B13R1.99 C=C(C)c1ccc(cc1OC)CO 271570a_100000694244_100010234685 [1,1,0,0,0,0|2,0,0]=4 1627 B13R1.99 C=Cc1ccc(c(c1)OC)B(O)O 271570a_100011290941_100010245881 [1,1,0,0,0,0|2,0,0]=4 1628 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [1,1,0,0,0,0|1,0,0]=3 1629 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [1,1,0,0,0,0|2,0,0]=4 1630 B13R1.99 C=Cc1ccc(c(c1)OC)C(F)F 271570a_100011290941_100010146106 [1,1,0,0,0,0|2,0,0]=4 1631 B13R1.99 C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100011290941_100010137934 [1,1,0,0,0,0|2,0,0]=4 1632 B13R1.355 C=Cc1ccc(c(c1)CC#N)OC 271570a_100011290941_200011218486 [1,1,0,0,0,0|1,0,1]=4 1633 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [1,1,0,0,0,0|1,0,0]=3 1634 B13R1.355 C=Cc1ccc(c(c1)CNC)OC 271570a_100011290941_100000690607 [1,1,0,0,0,0|1,0,0]=3 1635 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [1,1,0,0,0,0|0,0,0]=2 1636 B13R1.355 C=Cc1ccc(c(c1)OCC)C#N 271570a_100011290941_100013120067 [1,1,0,0,0,0|2,0,0]=4 1637 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [1,1,0,0,0,0|0,0,0]=2 1638 B13R1.355 C=Cc1ncc(c(n1)OCC)OC 271570a_100011290941_200010280453 [1,1,0,0,0,0|2,0,0]=4 1639 B13R1.355 CC=Cc1cc(ccc1OC)C=O 271570a_100016259895_100000173361 [1,1,0,0,0,0|2,0,0]=4 1640 B13R1.355 CC=Cc1cc(ccc1OC)CC 271570a_100016259895_100010062400 [1,1,0,0,0,0|1,0,1]=4 1641 B13R1.355 CC=Cc1cc(ccc1OC)CN 271570a_100016259895_100159240714 [1,1,0,0,0,0|2,0,0]=4 1642 B13R1.355 CC=Cc1cc(ccc1OC)CO 271570a_100016259895_100000246451 [1,1,0,0,0,0|2,0,0]=4 1643 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [1,1,0,0,0,0|1,0,1]=4 1644 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [1,1,0,0,0,0|1,0,1]=4 1645 B13R1.355 CCNc1cc(ccc1OC)CO 2230a_100011269841_100000210202 [1,1,0,0,0,0|2,0,0]=4 1646 B13R1.355 CCNc1cc(ccc1OC)CO 34a_100011269841_100000210202 [1,1,0,0,0,0|2,0,0]=4 1647 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [1,1,0,0,0,0|1,0,1]=4 1648 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [1,1,0,0,0,0|1,0,1]=4 1649 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [1,1,0,0,0,0|1,0,1]=4 1650 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [1,1,0,0,0,0|1,0,1]=4 1651 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [1,1,0,0,0,0|0,0,1]=3 1652 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [1,1,0,0,0,0|0,0,1]=3 1653 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [1,1,0,0,0,0|1,0,0]=3 1654 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [1,1,0,0,0,0|1,0,0]=3 1655 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [1,1,0,0,0,0|1,0,0]=3 1656 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [1,1,0,0,0,0|1,0,0]=3 1657 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [1,1,0,0,0,0|1,0,1]=4 1658 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [1,1,0,0,0,0|1,0,1]=4 1659 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [1,1,0,0,0,0|1,0,1]=4 1660 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [1,1,0,0,0,0|1,0,0]=3 1661 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [1,1,0,0,0,0|1,0,0]=3 1662 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200000210301_200010381951 [1,1,0,0,0,0|1,1,0]=4 1663 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200010381951_200000210301 [1,1,0,0,0,0|1,1,0]=4 1664 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200010381951_200025704644 [1,1,0,0,0,0|1,1,0]=4 1665 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200025704644_200010381951 [1,1,0,0,0,0|1,1,0]=4 1666 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210202 [1,1,0,0,0,0|1,1,0]=4 1667 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000210202_100000173361 [1,1,0,0,0,0|1,1,0]=4 1668 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [1,1,0,0,0,0|0,1,1]=4 1669 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [1,1,0,0,0,0|0,1,1]=4 1670 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100000210202_100159240714 [1,1,0,0,0,0|1,1,0]=4 1671 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100159240714_100000210202 [1,1,0,0,0,0|1,1,0]=4 1672 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000210202_100000246451 [1,1,0,0,0,0|1,1,0]=4 1673 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000246451_100000210202 [1,1,0,0,0,0|1,1,0]=4 1674 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [1,1,0,0,0,0|1,0,1]=4 1675 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [1,1,0,0,0,0|1,0,1]=4 1676 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [1,1,0,0,0,0|1,0,1]=4 1677 B13R1.355 CCc1ccc(c(c1)NCF)OC 34a_100012035449_100015361967 [1,1,0,0,0,0|1,0,1]=4 1678 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [1,1,0,0,0,0|0,0,1]=3 1679 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [1,1,0,0,0,0|0,0,1]=3 1680 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100010062400_100015361967 [1,1,0,0,0,0|0,1,1]=4 1681 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100015361967_100010062400 [1,1,0,0,0,0|0,1,1]=4 1682 B13R1.355 CNCc1cc(ccc1OC)C=O 2230a_106832991635_100000028394 [1,1,0,0,0,0|2,0,0]=4 1683 B13R1.355 CNCc1cc(ccc1OC)C=O 34a_100102657272_100000028394 [1,1,0,0,0,0|2,0,0]=4 1684 B13R1.355 CNCc1cc(ccc1OC)C=O 7a_106832991635_100000028394 [1,1,0,0,0,0|2,0,0]=4 1685 B13R1.355 CNCc1cc(ccc1OC)CO 26a_100102657272_100011215239 [1,1,0,0,0,0|2,0,0]=4 1686 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [1,1,0,0,0,0|1,0,0]=3 1687 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [1,1,0,0,0,0|1,0,1]=4 1688 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [1,1,0,0,0,0|1,0,1]=4 1689 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [1,1,0,0,0,0|1,0,1]=4 1690 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [1,1,0,0,0,0|1,0,1]=4 1691 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [1,1,0,0,0,0|1,0,1]=4 1692 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [1,1,0,0,0,0|1,0,1]=4 1693 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [1,1,0,0,0,0|1,0,1]=4 1694 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [1,1,0,0,0,0|1,0,1]=4 1695 B13R1.355 COc1ccc(cc1CSC)C=O 62a_100000028394_200000210301 [1,1,0,0,0,0|1,1,0]=4 1696 B13R1.355 COc1ccc(cc1CSC)C=O 62a_200000210301_100000028394 [1,1,0,0,0,0|1,1,0]=4 1697 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_100000028394_200025704644 [1,1,0,0,0,0|1,1,0]=4 1698 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_200025704644_100000028394 [1,1,0,0,0,0|1,1,0]=4 1699 B13R1.355 COc1ccc(cc1NCF)CO 34a_100011269841_100015361967 [1,1,0,0,0,0|2,0,0]=4 1700 B13R1.355 COc1ccc(cc1OCF)C#N 34a_100000188611_100015361967 [1,1,0,0,0,0|1,0,1]=4 1701 B13R1.355 COc1ccc(cc1OCF)C#N 7a_100000188611_100015361967 [1,1,0,0,0,0|1,0,1]=4 1702 B13R1.355 COc1ccc(cc1OCF)CN 34a_100000740000_100015361967 [1,1,0,0,0,0|1,0,0]=3 1703 B13R1.355 COc1ccc(cc1OCF)CO 34a_100011215239_100015361967 [1,1,0,0,0,0|1,0,0]=3 1704 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100000173361_100015361967 [1,1,0,0,0,0|1,1,0]=4 1705 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100015361967_100000173361 [1,1,0,0,0,0|1,1,0]=4 1706 B13R1.355 COc1ccc(cc1SCF)CN 62a_100015361967_100159240714 [1,1,0,0,0,0|1,1,0]=4 1707 B13R1.355 COc1ccc(cc1SCF)CN 62a_100159240714_100015361967 [1,1,0,0,0,0|1,1,0]=4 1708 B13R1.355 COc1ccc(cc1SCF)CO 62a_100000246451_100015361967 [1,1,0,0,0,0|1,1,0]=4 1709 B13R1.355 COc1ccc(cc1SCF)CO 62a_100015361967_100000246451 [1,1,0,0,0,0|1,1,0]=4 1710 B13R1.434 C=Cc1cc(c(c(c1)OC)C#N)F 271570a_100011290941_100000697026 [1,1,0,0,0,0|2,0,0]=4 1711 B13R1.434 C=Cc1cc(c(c(c1)OC)C=O)F 271570a_100011290941_100010363811 [1,1,0,0,0,0|2,0,0]=4 1712 B13R1.434 COc1c(cc(cc1SC)CO)F 62a_100020751559_200000210301 [1,1,0,0,0,0|1,1,0]=4 1713 B13R1.434 COc1c(cc(cc1SC)CO)F 62a_200000210301_100020751559 [1,1,0,0,0,0|1,1,0]=4 1714 B13R1.434 COc1c(cc(cc1S[13CH3])CO)F 62a_100020751559_200025704644 [1,1,0,0,0,0|1,1,0]=4 1715 B13R1.434 COc1c(cc(cc1S[13CH3])CO)F 62a_200025704644_100020751559 [1,1,0,0,0,0|1,1,0]=4 1716 B13R1.434 COc1cc(c(c(c1)OC)OC)Br 34a_200020900881_200000210301 [1,1,0,0,0,0|1,0,1]=4 1717 B13R1.434 COc1cc(c(c(c1)O[13CH3])OC)Br 34a_200020900881_200025704644 [1,1,0,0,0,0|1,0,1]=4 1718 B13R1.434 COc1cc(cc(c1OC)Br)C#N 34a_100000188612_200000210301 [1,1,0,0,0,0|1,0,1]=4 1719 B13R1.434 COc1cc(cc(c1OC)Br)C#N 7a_100000188612_200000210301 [1,1,0,0,0,0|1,0,1]=4 1720 B13R1.434 COc1cc(cc(c1OC)C)C#N 34a_200009855753_200000210301 [1,1,0,0,0,0|1,0,1]=4 1721 B13R1.434 COc1cc(cc(c1OC)C)C#N 7a_200009855753_200000210301 [1,1,0,0,0,0|1,0,1]=4 1722 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 34a_100000014776_200000210301 [1,1,0,0,0,0|1,0,1]=4 1723 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 7a_100000014776_200000210301 [1,1,0,0,0,0|1,0,1]=4 1724 B13R1.434 COc1cc(cc(c1OC)Cl)CO 34a_200000246286_200000210301 [1,1,0,0,0,0|1,0,0]=3 1725 B13R1.434 COc1cc(cc(c1OC)I)C#N 7a_100000014777_200000210301 [1,1,0,0,0,0|1,0,1]=4 1726 B13R1.434 COc1cc(cc(c1OC)I)CO 34a_200000022573_200000210301 [1,1,0,0,0,0|1,0,0]=3 1727 B13R1.434 COc1cc(cc(c1OC)O)C#N 271570a_203496583355_100009812337 [1,1,0,0,0,0|1,0,1]=4 1728 B13R1.434 COc1cc(cc(c1OC)O)C=O 271570a_203496583355_100000188315 [1,1,0,0,0,0|1,0,0]=3 1729 B13R1.434 COc1cc(cc(c1OC)O)CO 271570a_203496583355_200000215730 [1,1,0,0,0,0|1,0,0]=3 1730 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 34a_100000188612_200025704644 [1,1,0,0,0,0|1,0,1]=4 1731 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 7a_100000188612_200025704644 [1,1,0,0,0,0|1,0,1]=4 1732 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 34a_200009855753_200025704644 [1,1,0,0,0,0|1,0,1]=4 1733 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 7a_200009855753_200025704644 [1,1,0,0,0,0|1,0,1]=4 1734 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 34a_100000014776_200025704644 [1,1,0,0,0,0|1,0,1]=4 1735 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 7a_100000014776_200025704644 [1,1,0,0,0,0|1,0,1]=4 1736 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)CO 34a_200000246286_200025704644 [1,1,0,0,0,0|1,0,0]=3 1737 B13R1.434 COc1cc(cc(c1O[13CH3])I)C#N 7a_100000014777_200025704644 [1,1,0,0,0,0|1,0,1]=4 1738 B13R1.434 COc1cc(cc(c1O[13CH3])I)CO 34a_200000022573_200025704644 [1,1,0,0,0,0|1,0,0]=3 1739 B13R1.1249 C=Cc1ccc(c(c1)C#N)OCC 271570a_100011290941_100000188824 [1,1,0,0,0,0|2,0,0]=4 1740 B13R1.1249 C=Cc1ccc(c(c1)C=O)OCC 271570a_100011290941_100000170027 [1,1,0,0,0,0|2,0,0]=4 1741 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [1,1,0,0,0,0|1,0,0]=3 1742 B13R1.1249 C=Cc1ccc(c(c1)OC)CC#N 271570a_100011290941_100010245117 [1,1,0,0,0,0|1,0,1]=4 1743 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [1,1,0,0,0,0|1,0,0]=3 1744 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [1,1,0,0,0,0|0,0,0]=2 1745 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [1,1,0,0,0,0|0,0,0]=2 1746 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [1,1,0,0,0,0|0,0,0]=2 1747 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [1,1,0,0,0,0|1,0,0]=3 1748 B13R1.1249 CC=Cc1ccc(cc1OC)C=O 271570a_100016259895_100010244714 [1,1,0,0,0,0|2,0,0]=4 1749 B13R1.1249 CC=Cc1ccc(cc1OC)CC 271570a_100016259895_200010710389 [1,1,0,0,0,0|1,0,1]=4 1750 B13R1.1249 CC=Cc1ccc(cc1OC)CO 271570a_100016259895_100010234685 [1,1,0,0,0,0|2,0,0]=4 1751 B13R1.1249 CCNc1ccc(cc1OC)CO 2230a_100000087641_100000210202 [1,1,0,0,0,0|2,0,0]=4 1752 B13R1.1249 CCNc1ccc(cc1OC)CO 34a_100000087641_100000210202 [1,1,0,0,0,0|2,0,0]=4 1753 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [1,1,0,0,0,0|1,0,1]=4 1754 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [1,1,0,0,0,0|1,0,1]=4 1755 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [1,1,0,0,0,0|0,0,1]=3 1756 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [1,1,0,0,0,0|0,0,1]=3 1757 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [1,1,0,0,0,0|1,0,0]=3 1758 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [1,1,0,0,0,0|1,0,1]=4 1759 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [1,1,0,0,0,0|1,0,1]=4 1760 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [1,1,0,0,0,0|1,0,1]=4 1761 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [1,1,0,0,0,0|1,0,1]=4 1762 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [1,1,0,0,0,0|1,0,1]=4 1763 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_100000173028_200000210301 [1,1,0,0,0,0|1,1,0]=4 1764 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173028 [1,1,0,0,0,0|1,1,0]=4 1765 B13R1.1249 CCOc1ccc(cc1SC)CO 62a_200000210301_200011800839 [1,1,0,0,0,0|1,1,0]=4 1766 B13R1.1249 CCOc1ccc(cc1SC)CO 62a_200011800839_200000210301 [1,1,0,0,0,0|1,1,0]=4 1767 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_100000173028_200025704644 [1,1,0,0,0,0|1,1,0]=4 1768 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173028 [1,1,0,0,0,0|1,1,0]=4 1769 B13R1.1249 CCOc1ccc(cc1S[13CH3])CO 62a_200011800839_200025704644 [1,1,0,0,0,0|1,1,0]=4 1770 B13R1.1249 CCOc1ccc(cc1S[13CH3])CO 62a_200025704644_200011800839 [1,1,0,0,0,0|1,1,0]=4 1771 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100000210202_100010244714 [1,1,0,0,0,0|1,1,0]=4 1772 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210202 [1,1,0,0,0,0|1,1,0]=4 1773 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_100000210202_200010710389 [1,1,0,0,0,0|0,1,1]=4 1774 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_200010710389_100000210202 [1,1,0,0,0,0|0,1,1]=4 1775 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100000210202_100010234685 [1,1,0,0,0,0|1,1,0]=4 1776 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100010234685_100000210202 [1,1,0,0,0,0|1,1,0]=4 1777 B13R1.1249 CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000186467 [1,1,0,0,0,0|1,0,1]=4 1778 B13R1.1249 CCc1ccc(c(c1)OC)OCF 34a_100000186467_100015361967 [1,1,0,0,0,0|0,0,1]=3 1779 B13R1.1249 CCc1ccc(c(c1)OC)OCF 7a_100000186467_100015361967 [1,1,0,0,0,0|0,0,1]=3 1780 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_100015361967_200010710389 [1,1,0,0,0,0|0,1,1]=4 1781 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_200010710389_100015361967 [1,1,0,0,0,0|0,1,1]=4 1782 B13R1.1249 CNCc1ccc(cc1OC)CO 26a_100102657272_100000181344 [1,1,0,0,0,0|2,0,0]=4 1783 B13R1.1249 COCc1ccc(cc1OC)C#N 34a_100000102359_200000210301 [1,1,0,0,0,0|1,0,1]=4 1784 B13R1.1249 COCc1ccc(cc1OC)C#N 7a_100000102359_200000210301 [1,1,0,0,0,0|1,0,1]=4 1785 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [1,1,0,0,0,0|1,0,1]=4 1786 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [1,1,0,0,0,0|1,0,1]=4 1787 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 34a_100000102359_200025704644 [1,1,0,0,0,0|1,0,1]=4 1788 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 7a_100000102359_200025704644 [1,1,0,0,0,0|1,0,1]=4 1789 B13R1.1249 COc1cc(ccc1NCF)CO 34a_100000087641_100015361967 [1,1,0,0,0,0|2,0,0]=4 1790 B13R1.1249 COc1cc(ccc1OCF)C#N 34a_100000184589_100015361967 [1,1,0,0,0,0|1,0,1]=4 1791 B13R1.1249 COc1cc(ccc1OCF)C#N 7a_100000184589_100015361967 [1,1,0,0,0,0|1,0,1]=4 1792 B13R1.1249 COc1cc(ccc1OCF)CN 34a_100000185554_100015361967 [1,1,0,0,0,0|1,0,0]=3 1793 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100010244714_100015361967 [1,1,0,0,0,0|1,1,0]=4 1794 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100015361967_100010244714 [1,1,0,0,0,0|1,1,0]=4 1795 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100010234685_100015361967 [1,1,0,0,0,0|1,1,0]=4 1796 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100015361967_100010234685 [1,1,0,0,0,0|1,1,0]=4 1797 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [1,1,0,0,0,0|1,0,1]=4 1798 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [1,1,0,0,0,0|1,0,1]=4 1799 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [1,1,0,0,0,0|1,0,1]=4 1800 B13R1.2200 C=Cc1cc(c(cc1F)OC)OC 271570a_100011290941_200011765842 [1,1,0,0,0,0|0,0,0]=2 1801 B13R1.2200 C=Cc1nc(c(cc1C)OC)OC 271570a_100011290941_200011016175 [1,1,0,0,0,0|1,0,0]=3 1802 B13R1.2200 CCc1cc(c(cc1C)OC)OC 34a_200010661296_200000210301 [1,1,0,0,0,0|0,0,1]=3 1803 B13R1.2200 CCc1cc(c(cc1C)OC)OC 7a_200010661296_200000210301 [1,1,0,0,0,0|0,0,1]=3 1804 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 34a_200010661296_200025704644 [1,1,0,0,0,0|0,0,1]=3 1805 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 7a_200010661296_200025704644 [1,1,0,0,0,0|0,0,1]=3 1806 B13R1.2200 CCc1cc(c(cc1F)OC)OC 34a_100000070332_200000210301 [1,1,0,0,0,0|0,0,1]=3 1807 B13R1.2200 CCc1cc(c(cc1F)OC)OC 7a_100000070332_200000210301 [1,1,0,0,0,0|0,0,1]=3 1808 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 34a_100000070332_200025704644 [1,1,0,0,0,0|0,0,1]=3 1809 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 7a_100000070332_200025704644 [1,1,0,0,0,0|0,0,1]=3 1810 B13R1.2200 CNc1cc(c(cc1C)OC)OC 34a_100000183460_200000210301 [1,1,0,0,0,0|1,0,1]=4 1811 B13R1.2200 CNc1cc(c(cc1F)OC)OC 34a_100000753170_200000210301 [1,1,0,0,0,0|1,0,1]=4 1812 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [1,1,0,0,0,0|1,0,1]=4 1813 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [1,1,0,0,0,0|1,0,1]=4 1814 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [1,1,0,0,0,0|1,0,1]=4 1815 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [1,1,0,0,0,0|1,0,1]=4 1816 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [1,1,0,0,0,0|1,0,1]=4 1817 B13R1.2200 COc1cc(c(cc1OC)C#N)O 271570a_203496583355_100000188247 [1,1,0,0,0,0|1,0,1]=4 1818 B13R1.2200 COc1cc(c(cc1OC)C=O)O 271570a_203496583355_100000170863 [1,1,0,0,0,0|1,0,0]=3 1819 B13R1.2200 COc1cc(c(cc1OC)CO)O 271570a_203496583355_200000246283 [1,1,0,0,0,0|1,0,0]=3 1820 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])C 34a_100000183460_200025704644 [1,1,0,0,0,0|1,0,1]=4 1821 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])F 34a_100000753170_200025704644 [1,1,0,0,0,0|1,0,1]=4 1822 B13R1.2200 COc1cc(c(cc1OC)SC)F 62a_200011765842_200000210301 [1,1,0,0,0,0|1,0,1]=4 1823 B13R1.2200 COc1cc(c(cc1OC)S[13CH3])F 62a_200011765842_200025704644 [1,1,0,0,0,0|1,0,1]=4 1824 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_100010244998_200000210301 [1,1,0,0,0,0|1,1,0]=4 1825 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_200000210301_100010244998 [1,1,0,0,0,0|1,1,0]=4 1826 B13R1.2200 COc1cc(c(cc1SC)C=O)O 62a_200000210301_100009998278 [1,1,0,0,0,0|1,1,0]=4 1827 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_100000695681_200000210301 [1,1,0,0,0,0|1,1,0]=4 1828 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_200000210301_100000695681 [1,1,0,0,0,0|1,1,0]=4 1829 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_100010762608_200000210301 [1,1,0,0,0,0|1,1,0]=4 1830 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_200000210301_100010762608 [1,1,0,0,0,0|1,1,0]=4 1831 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_100010244998_200025704644 [1,1,0,0,0,0|1,1,0]=4 1832 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010244998 [1,1,0,0,0,0|1,1,0]=4 1833 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)O 62a_200025704644_100009998278 [1,1,0,0,0,0|1,1,0]=4 1834 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_100000695681_200025704644 [1,1,0,0,0,0|1,1,0]=4 1835 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100000695681 [1,1,0,0,0,0|1,1,0]=4 1836 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_100010762608_200025704644 [1,1,0,0,0,0|1,1,0]=4 1837 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_100010762608 [1,1,0,0,0,0|1,1,0]=4 1838 B13R1.2422 C=Cc1ccc(c(c1C)OC)OC 271570a_100011290941_100010000156 [1,1,0,0,0,0|0,0,0]=2 1839 B13R1.2422 C=Cc1ccc(c(c1F)C=O)OC 271570a_100011290941_100010202131 [1,1,0,0,0,0|2,0,0]=4 1840 B13R1.2422 C=Cc1ccc(c(c1F)OC)C#N 271570a_100011290941_200010764283 [1,1,0,0,0,0|2,0,0]=4 1841 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200000210301_200010981996 [1,1,0,0,0,0|1,1,0]=4 1842 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200010981996_200000210301 [1,1,0,0,0,0|1,1,0]=4 1843 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200010981996_200025704644 [1,1,0,0,0,0|1,1,0]=4 1844 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_200010981996 [1,1,0,0,0,0|1,1,0]=4 1845 B13R1.2422 COc1ccc(c(c1OC)C)SC 62a_200000210301_100010000156 [1,1,0,0,0,0|1,0,1]=4 1846 B13R1.2422 COc1ccc(c(c1OC)C)S[13CH3] 62a_200025704644_100010000156 [1,1,0,0,0,0|1,0,1]=4 1847 B13R1.2422 COc1ccc(c(c1OC)O)C=O 271570a_203496583355_100009814707 [1,1,0,0,0,0|1,0,0]=3 1848 B13R1.2422 COc1ccc(c(c1SC)O)C=O 62a_200000210301_100016072024 [1,1,0,0,0,0|1,1,0]=4 1849 B13R1.2422 COc1ccc(c(c1S[13CH3])O)C=O 62a_200025704644_100016072024 [1,1,0,0,0,0|1,1,0]=4 1850 B13R1.2430 C=C(C)c1cc(ccc1OC)C=O 271570a_100000694244_100000173361 [1,1,0,0,0,0|2,0,0]=4 1851 B13R1.2430 C=C(C)c1cc(ccc1OC)CC 271570a_100000694244_100010062400 [1,1,0,0,0,0|1,0,1]=4 1852 B13R1.2430 C=C(C)c1cc(ccc1OC)CN 271570a_100000694244_100159240714 [1,1,0,0,0,0|2,0,0]=4 1853 B13R1.2430 C=C(C)c1cc(ccc1OC)CO 271570a_100000694244_100000246451 [1,1,0,0,0,0|2,0,0]=4 1854 B13R1.2430 C=Cc1ccc(c(c1)B(O)O)OC 271570a_100011290941_100009813459 [1,1,0,0,0,0|2,0,0]=4 1855 B13R1.2430 C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100011290941_100000173343 [1,1,0,0,0,0|1,0,0]=3 1856 B13R1.2430 C=Cc1ccc(c(c1)C(F)F)OC 271570a_100011290941_100010146105 [1,1,0,0,0,0|2,0,0]=4 1857 B13R1.2430 C=Cc1cnc(c(c1)C(=O)C)OC 271570a_100011290941_100010135678 [1,1,0,0,0,0|2,0,0]=4 1858 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [1,1,0,0,0,0|1,0,1]=4 1859 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [1,1,0,0,0,0|1,0,1]=4 1860 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [1,1,0,0,0,0|1,0,1]=4 1861 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [1,1,0,0,0,0|1,0,1]=4 1862 B13R1.3091 C=C(C)c1cc(c(nn1)OC)OC 271570a_100000694244_200000095610 [1,1,0,0,0,0|2,0,0]=4 1863 B13R1.3091 C=C(C)c1ccc(c(c1)C#N)OC 271570a_100000694244_100000188252 [1,1,0,0,0,0|2,0,0]=4 1864 B13R1.3091 C=C(C)c1ccc(c(c1)C=O)OC 271570a_100000694244_100000170026 [1,1,0,0,0,0|2,0,0]=4 1865 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [1,1,0,0,0,0|1,0,0]=3 1866 B13R1.3091 C=C(C)c1ccc(c(c1)CN)OC 271570a_100000694244_100000690498 [1,1,0,0,0,0|2,0,0]=4 1867 B13R1.3091 C=C(C)c1ccc(c(c1)CO)OC 271570a_100000694244_100000204679 [1,1,0,0,0,0|2,0,0]=4 1868 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [1,1,0,0,0,0|2,0,0]=4 1869 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [1,1,0,0,0,0|2,0,0]=4 1870 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [1,1,0,0,0,0|1,0,0]=3 1871 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [1,1,0,0,0,0|2,0,0]=4 1872 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [1,1,0,0,0,0|0,0,0]=2 1873 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [1,1,0,0,0,0|0,1,0]=3 1874 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [1,1,0,0,0,0|0,1,0]=3 1875 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [1,1,0,0,0,0|1,0,0]=3 1876 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [1,1,0,0,0,0|1,0,0]=3 1877 B13R1.3091 C=C(C)c1cnc(c(n1)OC)OC 271570a_100000694244_100010132954 [1,1,0,0,0,0|2,0,0]=4 1878 B13R1.3091 C=C(C)c1ncc(c(n1)OC)OC 271570a_100000694244_100010280452 [1,1,0,0,0,0|2,0,0]=4 1879 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [1,1,0,0,0,0|2,0,0]=4 1880 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [1,1,0,0,0,0|2,0,0]=4 1881 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [1,1,0,0,0,0|2,0,0]=4 1882 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [1,1,0,0,0,0|2,0,0]=4 1883 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [1,1,0,0,0,0|0,0,1]=3 1884 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [1,1,0,0,0,0|0,0,1]=3 1885 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [1,1,0,0,0,0|0,0,1]=3 1886 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [1,1,0,0,0,0|0,0,1]=3 1887 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [1,1,0,0,0,0|2,0,0]=4 1888 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [1,1,0,0,0,0|2,0,0]=4 1889 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [1,1,0,0,0,0|0,1,1]=4 1890 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [1,1,0,0,0,0|1,1,0]=4 1891 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_100021623167_200000210301 [1,1,0,0,0,0|0,1,1]=4 1892 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_200000210301_100021623167 [1,1,0,0,0,0|0,1,1]=4 1893 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [1,1,0,0,0,0|0,1,1]=4 1894 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [1,1,0,0,0,0|1,1,0]=4 1895 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_100021623167_200025704644 [1,1,0,0,0,0|0,1,1]=4 1896 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_200025704644_100021623167 [1,1,0,0,0,0|0,1,1]=4 1897 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [1,1,0,0,0,0|2,0,0]=4 1898 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [1,1,0,0,0,0|0,0,1]=3 1899 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [1,1,0,0,0,0|0,0,1]=3 1900 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [1,1,0,0,0,0|0,0,1]=3 1901 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [1,1,0,0,0,0|0,0,1]=3 1902 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [1,1,0,0,0,0|0,0,1]=3 1903 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [1,1,0,0,0,0|0,0,1]=3 1904 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [1,1,0,0,0,0|0,0,1]=3 1905 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [1,1,0,0,0,0|0,0,1]=3 1906 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [1,1,0,0,0,0|2,0,0]=4 1907 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [1,1,0,0,0,0|2,0,0]=4 1908 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [1,1,0,0,0,0|2,0,0]=4 1909 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [1,1,0,0,0,0|2,0,0]=4 1910 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [1,1,0,0,0,0|0,0,1]=3 1911 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [1,1,0,0,0,0|0,0,1]=3 1912 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [1,1,0,0,0,0|2,0,0]=4 1913 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [1,1,0,0,0,0|2,0,0]=4 1914 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [1,1,0,0,0,0|0,1,1]=4 1915 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [1,1,0,0,0,0|0,1,1]=4 1916 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_100000246541_200000210301 [1,1,0,0,0,0|0,1,1]=4 1917 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_200000210301_100000246541 [1,1,0,0,0,0|0,1,1]=4 1918 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [1,1,0,0,0,0|0,1,1]=4 1919 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [1,1,0,0,0,0|0,1,1]=4 1920 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_100000246541_200025704644 [1,1,0,0,0,0|0,1,1]=4 1921 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_200025704644_100000246541 [1,1,0,0,0,0|0,1,1]=4 1922 B13R1.49 CNC(C)c1ccc(c(c1)OC)C 269862a_106832991636_100012706825 [1,1,0,0,0,0|1,0,1]=4 1923 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [1,1,0,0,0,0|0,1,1]=4 1924 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [1,1,0,0,0,0|0,1,1]=4 1925 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [1,1,0,0,0,0|1,0,1]=4 1926 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [1,1,0,0,0,0|1,0,1]=4 1927 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [1,1,0,0,0,0|1,0,1]=4 1928 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [1,1,0,0,0,0|0,0,2]=4 1929 B13R1.52 COc1cc(ccc1C)CN(C)C 270004a_100102631434_100000719150 [1,1,0,0,0,0|1,0,1]=4 1930 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [1,1,0,0,0,0|1,0,1]=4 1931 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [1,1,0,0,0,0|1,0,1]=4 1932 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [1,1,0,0,0,0|1,0,1]=4 1933 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [1,1,0,0,0,0|1,0,1]=4 1934 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [1,1,0,0,0,0|1,0,1]=4 1935 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [1,1,0,0,0,0|1,0,1]=4 1936 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [1,1,0,0,0,0|1,0,1]=4 1937 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [1,1,0,0,0,0|1,0,1]=4 1938 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [1,1,0,0,0,0|0,0,2]=4 1939 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [1,1,0,0,0,0|0,0,1]=3 1940 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [1,1,0,0,0,0|0,0,1]=3 1941 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [1,1,0,0,0,0|1,0,1]=4 1942 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [1,1,0,0,0,0|1,0,1]=4 1943 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [1,1,0,0,0,0|0,1,1]=4 1944 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [1,1,0,0,0,0|0,1,1]=4 1945 B13R1.384 C=C=Cc1ccc(c(c1)OCC)C 271570a_100015277604_100012361169 [1,1,0,0,0,0|0,0,2]=4 1946 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [1,1,0,0,0,0|0,0,2]=4 1947 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [1,1,0,0,0,0|1,0,1]=4 1948 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [1,1,0,0,0,0|1,0,1]=4 1949 B13R1.575 C#CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000038162 [1,1,0,0,0,0|0,0,2]=4 1950 B13R1.575 C#CCNc1ccc(c(c1)OC)C 34a_100011279678_100000184674 [1,1,0,0,0,0|0,0,2]=4 1951 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [1,1,0,0,0,0|0,0,2]=4 1952 B13R1.575 C#CCOc1ccc(c(c1)OC)C 34a_100009865632_100000184674 [1,1,0,0,0,0|0,0,2]=4 1953 B13R1.575 C#CCOc1ccc(c(c1)OC)C 7a_100009865632_100000038162 [1,1,0,0,0,0|0,0,2]=4 1954 B13R1.575 C#CCSc1ccc(c(c1)OC)C 62a_100000038162_100011830276 [1,1,0,0,0,0|0,0,2]=4 1955 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [1,1,0,0,0,0|0,0,2]=4 1956 B13R1.575 C#Cc1cc(ccc1C)NCC=C 2230a_200012017271_100000210623 [1,1,0,0,0,0|1,0,1]=4 1957 B13R1.575 C#Cc1cc(ccc1C)NCC=C 34a_200012017271_100015514636 [1,1,0,0,0,0|1,0,1]=4 1958 B13R1.575 C=CCNc1ccc(c(c1)C#N)C 34a_100011216687_100015514636 [1,1,0,0,0,0|2,0,0]=4 1959 B13R1.575 C=CCNc1ccc(c(c1)C#N)C 7a_100011216687_100015514636 [1,1,0,0,0,0|2,0,0]=4 1960 B13R1.575 C=CCNc1ccc(c(c1)C#N)O 34a_100011249283_100015514636 [1,1,0,0,0,0|2,0,0]=4 1961 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210623 [1,1,0,0,0,0|2,0,0]=4 1962 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 34a_100010109747_100015514636 [1,1,0,0,0,0|2,0,0]=4 1963 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 7a_100010109747_100015514636 [1,1,0,0,0,0|2,0,0]=4 1964 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [1,1,0,0,0,0|1,0,0]=3 1965 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [1,1,0,0,0,0|1,0,0]=3 1966 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [1,1,0,0,0,0|0,0,0]=2 1967 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [1,1,0,0,0,0|0,0,0]=2 1968 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [1,1,0,0,0,0|1,0,0]=3 1969 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [1,1,0,0,0,0|1,0,0]=3 1970 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [1,1,0,0,0,0|1,0,0]=3 1971 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [1,1,0,0,0,0|1,0,0]=3 1972 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [1,1,0,0,0,0|1,0,0]=3 1973 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [1,1,0,0,0,0|0,0,0]=2 1974 B13R1.575 C=CCNc1ncc(c(n1)OC)C 27a_100020586998_100012500371 [1,1,0,0,0,0|2,0,0]=4 1975 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100015514636 [1,1,0,0,0,0|2,0,0]=4 1976 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100015514636 [1,1,0,0,0,0|2,0,0]=4 1977 B13R1.575 C=CCOc1ccc(c(c1)CN)C 34a_200009844824_100015514636 [1,1,0,0,0,0|2,0,0]=4 1978 B13R1.575 C=CCOc1ccc(c(c1)CO)C 34a_100009878257_100015514636 [1,1,0,0,0,0|2,0,0]=4 1979 B13R1.575 C=CCOc1ccc(c(c1)CO)C 7a_100009878257_100015514636 [1,1,0,0,0,0|2,0,0]=4 1980 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [1,1,0,0,0,0|1,0,0]=3 1981 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [1,1,0,0,0,0|1,0,0]=3 1982 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [1,1,0,0,0,0|0,0,0]=2 1983 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [1,1,0,0,0,0|0,0,0]=2 1984 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [1,1,0,0,0,0|1,0,0]=3 1985 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [1,1,0,0,0,0|1,0,0]=3 1986 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [1,1,0,0,0,0|1,0,0]=3 1987 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [1,1,0,0,0,0|1,0,0]=3 1988 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [1,1,0,0,0,0|1,0,0]=3 1989 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [1,1,0,0,0,0|1,0,0]=3 1990 B13R1.575 C=CCSc1c[nH]c(=O)c(c1)OC 62a_100000210623_100010125397 [1,1,0,0,0,0|1,0,1]=4 1991 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100000210623_100010067687 [1,1,0,0,0,0|1,0,0]=3 1992 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100010067687_100000210623 [1,1,0,0,0,0|1,0,0]=3 1993 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_100000210623_200010136270 [1,1,0,0,0,0|2,0,0]=4 1994 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_200010136270_100000210623 [1,1,0,0,0,0|2,0,0]=4 1995 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100000210623_100009887741 [1,1,0,0,0,0|2,0,0]=4 1996 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100009887741_100000210623 [1,1,0,0,0,0|2,0,0]=4 1997 B13R1.575 C=CCSc1ccc(c(c1)C#N)C 62a_100000210623_100011356939 [1,1,0,0,0,0|2,0,0]=4 1998 B13R1.575 C=CCSc1ccc(c(c1)C#N)O 62a_100000210623_100000687585 [1,1,0,0,0,0|2,0,0]=4 1999 B13R1.575 C=CCSc1ccc(c(c1)C=O)C 62a_100000210623_100011361606 [1,1,0,0,0,0|2,0,0]=4 2000 B13R1.575 C=CCSc1ccc(c(c1)C=O)C 62a_100011361606_100000210623 [1,1,0,0,0,0|2,0,0]=4 2001 B13R1.575 C=CCSc1ccc(c(c1)C=O)O 62a_100000210623_100000186750 [1,1,0,0,0,0|2,0,0]=4 2002 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100000210623_100010244631 [1,1,0,0,0,0|2,0,0]=4 2003 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210623 [1,1,0,0,0,0|2,0,0]=4 2004 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100000210623_100010244625 [1,1,0,0,0,0|2,0,0]=4 2005 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210623 [1,1,0,0,0,0|2,0,0]=4 2006 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000210623_100000686106 [1,1,0,0,0,0|2,0,0]=4 2007 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210623 [1,1,0,0,0,0|2,0,0]=4 2008 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [1,1,0,0,0,0|1,0,0]=3 2009 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000210623_100000730032 [1,1,0,0,0,0|2,0,0]=4 2010 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210623 [1,1,0,0,0,0|2,0,0]=4 2011 B13R1.575 C=CCSc1ccc(c(c1)CO)C 62a_100000210623_100000700630 [1,1,0,0,0,0|2,0,0]=4 2012 B13R1.575 C=CCSc1ccc(c(c1)CO)C 62a_100000700630_100000210623 [1,1,0,0,0,0|2,0,0]=4 2013 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210623 [1,1,0,0,0,0|2,0,0]=4 2014 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000210623_100000184703 [1,1,0,0,0,0|2,0,0]=4 2015 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100000210623_100020629602 [1,1,0,0,0,0|1,0,0]=3 2016 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210623 [1,1,0,0,0,0|1,0,0]=3 2017 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100000210623_100011314990 [1,1,0,0,0,0|2,0,0]=4 2018 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210623 [1,1,0,0,0,0|2,0,0]=4 2019 B13R1.575 C=CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210623 [1,1,0,0,0,0|2,0,0]=4 2020 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [1,1,0,0,0,0|1,0,0]=3 2021 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [1,1,0,0,0,0|1,0,0]=3 2022 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [1,1,0,0,0,0|0,0,0]=2 2023 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [1,1,0,0,0,0|0,0,0]=2 2024 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [1,1,0,0,0,0|1,0,0]=3 2025 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [1,1,0,0,0,0|1,0,0]=3 2026 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [1,1,0,0,0,0|1,0,0]=3 2027 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [1,1,0,0,0,0|1,0,0]=3 2028 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [1,1,0,0,0,0|1,0,0]=3 2029 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [1,1,0,0,0,0|1,0,0]=3 2030 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [1,1,0,0,0,0|0,0,0]=2 2031 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100000210623_100010341305 [1,1,0,0,0,0|1,1,0]=4 2032 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210623 [1,1,0,0,0,0|1,1,0]=4 2033 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000210623_100000687816 [1,1,0,0,0,0|2,0,0]=4 2034 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000687816_100000210623 [1,1,0,0,0,0|2,0,0]=4 2035 B13R1.575 C=CCSc1ccc(c(n1)OC)O 62a_100000210623_100010893133 [1,1,0,0,0,0|1,0,0]=3 2036 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100000210623_100010254219 [1,1,0,0,0,0|1,0,0]=3 2037 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100010254219_100000210623 [1,1,0,0,0,0|1,0,0]=3 2038 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100000210623_100010214931 [1,1,0,0,0,0|2,0,0]=4 2039 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100010214931_100000210623 [1,1,0,0,0,0|2,0,0]=4 2040 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_100000210623_106354213024 [1,1,0,0,0,0|2,0,0]=4 2041 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_106354213024_100000210623 [1,1,0,0,0,0|2,0,0]=4 2042 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_100000210623_200010365344 [1,1,0,0,0,0|2,0,0]=4 2043 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_200010365344_100000210623 [1,1,0,0,0,0|2,0,0]=4 2044 B13R1.575 C=CCSc1ncc(c(n1)OC)C 62a_100000210623_100012500371 [1,1,0,0,0,0|2,0,0]=4 2045 B13R1.575 C=CCSc1ncc(c(n1)OC)C 62a_100012500371_100000210623 [1,1,0,0,0,0|2,0,0]=4 2046 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [1,1,0,0,0,0|0,0,2]=4 2047 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [1,1,0,0,0,0|0,0,2]=4 2048 B13R1.575 CCCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210303 [1,1,0,0,0,0|0,0,2]=4 2049 B13R1.575 CCCNc1ccc(c(c1)OC)C 34a_100011279678_100000210303 [1,1,0,0,0,0|0,0,2]=4 2050 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [1,1,0,0,0,0|0,0,2]=4 2051 B13R1.575 CCCOc1ccc(c(c1)OC)C 34a_100009865632_100000210303 [1,1,0,0,0,0|0,0,2]=4 2052 B13R1.575 CCCOc1ccc(c(c1)OC)C 7a_100009865632_100000210303 [1,1,0,0,0,0|0,0,2]=4 2053 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100000210303_100011830276 [1,1,0,0,0,0|0,0,2]=4 2054 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100011830276_100000210303 [1,1,0,0,0,0|0,0,2]=4 2055 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [1,1,0,0,0,0|0,0,2]=4 2056 B13R1.575 CCNCc1ccc(c(c1)OC)C 207a_100015525214_100000719150 [1,1,0,0,0,0|0,0,2]=4 2057 B13R1.575 CCNCc1ccc(c(c1)OC)C 270004a_100015525214_100000719150 [1,1,0,0,0,0|0,0,2]=4 2058 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [1,1,0,0,0,0|0,0,2]=4 2059 B13R1.575 CCOCc1ccc(c(c1)OC)C 34a_100000752651_100000210202 [1,1,0,0,0,0|0,0,2]=4 2060 B13R1.575 CCOCc1ccc(c(c1)OC)C 7a_100000752651_100000210202 [1,1,0,0,0,0|0,0,2]=4 2061 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [1,1,0,0,0,0|2,0,0]=4 2062 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [1,1,0,0,0,0|0,0,2]=4 2063 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [1,1,0,0,0,0|0,0,2]=4 2064 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [1,1,0,0,0,0|0,0,2]=4 2065 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_100020629602_200015260668 [1,1,0,0,0,0|2,0,0]=4 2066 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_200015260668_100020629602 [1,1,0,0,0,0|2,0,0]=4 2067 B13R1.575 COCNc1ccc(c(c1)OC)C 2230a_100011279678_100000766300 [1,1,0,0,0,0|1,0,1]=4 2068 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100000766300_100011830276 [1,1,0,0,0,0|1,0,1]=4 2069 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100011830276_100000766300 [1,1,0,0,0,0|1,0,1]=4 2070 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [1,1,0,0,0,0|1,0,1]=4 2071 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [1,1,0,0,0,0|2,0,0]=4 2072 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [1,1,0,0,0,0|2,0,0]=4 2073 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [1,1,0,0,0,0|2,0,0]=4 2074 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [1,1,0,0,0,0|2,0,0]=4 2075 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [1,1,0,0,0,0|2,0,0]=4 2076 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [1,1,0,0,0,0|2,0,0]=4 2077 B13R1.575 COc1cc(ccc1C)COCF 34a_100000752651_100015361967 [1,1,0,0,0,0|1,0,1]=4 2078 B13R1.575 COc1cc(ccc1C)COCF 7a_100000752651_100015361967 [1,1,0,0,0,0|1,0,1]=4 2079 B13R1.575 COc1cc(ccc1C)NCC#N 2230a_100011279678_100011215382 [1,1,0,0,0,0|1,0,1]=4 2080 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [1,1,0,0,0,0|1,0,0]=3 2081 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [1,1,0,0,0,0|1,0,0]=3 2082 B13R1.575 COc1cc(ccc1C)NCCF 2230a_100011279678_100011217306 [1,1,0,0,0,0|1,0,1]=4 2083 B13R1.575 COc1cc(ccc1C)NCCF 34a_100011279678_100011217306 [1,1,0,0,0,0|1,0,1]=4 2084 B13R1.575 COc1cc(ccc1C)NCCO 2230a_100011279678_100000211926 [1,1,0,0,0,0|1,0,1]=4 2085 B13R1.575 COc1cc(ccc1C)NCCO 34a_100000057592_200000210301 [1,1,0,0,0,0|1,0,1]=4 2086 B13R1.575 COc1cc(ccc1C)NCCO 34a_100011279678_100000211926 [1,1,0,0,0,0|1,0,1]=4 2087 B13R1.575 COc1cc(ccc1C)NCCO 7a_100000057592_200000210301 [1,1,0,0,0,0|1,0,1]=4 2088 B13R1.575 COc1cc(ccc1C)NCSC 2230a_100011279678_100011218213 [1,1,0,0,0,0|1,0,1]=4 2089 B13R1.575 COc1cc(ccc1C)NCSC 34a_100011279678_100011218213 [1,1,0,0,0,0|1,0,1]=4 2090 B13R1.575 COc1cc(ccc1C)OCC#N 7a_100009865632_100011215382 [1,1,0,0,0,0|1,0,1]=4 2091 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [1,1,0,0,0,0|1,0,0]=3 2092 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [1,1,0,0,0,0|1,0,0]=3 2093 B13R1.575 COc1cc(ccc1C)OCCF 34a_100009865632_100011217306 [1,1,0,0,0,0|1,0,1]=4 2094 B13R1.575 COc1cc(ccc1C)OCCF 7a_100009865632_100011217306 [1,1,0,0,0,0|1,0,1]=4 2095 B13R1.575 COc1cc(ccc1C)OCCO 34a_100009865632_100000211926 [1,1,0,0,0,0|1,0,1]=4 2096 B13R1.575 COc1cc(ccc1C)OCCO 7a_100009865632_100000211926 [1,1,0,0,0,0|1,0,1]=4 2097 B13R1.575 COc1cc(ccc1C)OCSC 34a_100009865632_100011218213 [1,1,0,0,0,0|1,0,1]=4 2098 B13R1.575 COc1cc(ccc1C)SCC#N 62a_100011215382_100011830276 [1,1,0,0,0,0|1,0,1]=4 2099 B13R1.575 COc1cc(ccc1C)SCC#N 62a_100011830276_100011215382 [1,1,0,0,0,0|1,0,1]=4 2100 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [1,1,0,0,0,0|1,0,0]=3 2101 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [1,1,0,0,0,0|1,0,0]=3 2102 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011217306_100011830276 [1,1,0,0,0,0|1,0,1]=4 2103 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011830276_100011217306 [1,1,0,0,0,0|1,0,1]=4 2104 B13R1.575 COc1cc(ccc1C)SCCO 62a_100000211926_100011830276 [1,1,0,0,0,0|1,0,1]=4 2105 B13R1.575 COc1cc(ccc1C)SCCO 62a_100011830276_100000211926 [1,1,0,0,0,0|1,0,1]=4 2106 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011218213_100011830276 [1,1,0,0,0,0|1,0,1]=4 2107 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011830276_100011218213 [1,1,0,0,0,0|1,0,1]=4 2108 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [1,1,0,0,0,0|2,0,0]=4 2109 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [1,1,0,0,0,0|2,0,0]=4 2110 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [1,1,0,0,0,0|2,0,0]=4 2111 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [1,1,0,0,0,0|2,0,0]=4 2112 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [1,1,0,0,0,0|2,0,0]=4 2113 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [1,1,0,0,0,0|2,0,0]=4 2114 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [1,1,0,0,0,0|2,0,0]=4 2115 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [1,1,0,0,0,0|2,0,0]=4 2116 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [1,1,0,0,0,0|2,0,0]=4 2117 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [1,1,0,0,0,0|2,0,0]=4 2118 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [1,1,0,0,0,0|2,0,0]=4 2119 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [1,1,0,0,0,0|2,0,0]=4 2120 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [1,1,0,0,0,0|2,0,0]=4 2121 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [1,1,0,0,0,0|2,0,0]=4 2122 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [1,1,0,0,0,0|2,0,0]=4 2123 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [1,1,0,0,0,0|2,0,0]=4 2124 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [1,1,0,0,0,0|2,0,0]=4 2125 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [1,1,0,0,0,0|0,0,2]=4 2126 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [1,1,0,0,0,0|0,0,2]=4 2127 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [1,1,0,0,0,0|0,0,2]=4 2128 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [1,1,0,0,0,0|1,0,1]=4 2129 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [1,1,0,0,0,0|1,0,0]=3 2130 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [1,1,0,0,0,0|1,0,1]=4 2131 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [1,1,0,0,0,0|1,0,1]=4 2132 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [1,1,0,0,0,0|1,0,1]=4 2133 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [1,1,0,0,0,0|1,0,1]=4 2134 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [1,1,0,0,0,0|1,0,0]=3 2135 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [1,1,0,0,0,0|1,0,1]=4 2136 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [1,1,0,0,0,0|1,0,1]=4 2137 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [1,1,0,0,0,0|1,0,1]=4 2138 B13R1.575 COc1cc(cnc1C)SCC=O 62a_100010254219_200015260668 [1,1,0,0,0,0|2,0,0]=4 2139 B13R1.575 COc1cc(cnc1C)SCC=O 62a_200015260668_100010254219 [1,1,0,0,0,0|2,0,0]=4 2140 B13R1.575 COc1cc(ncc1C)SCC=O 62a_100010067687_200015260668 [1,1,0,0,0,0|2,0,0]=4 2141 B13R1.575 COc1cc(ncc1C)SCC=O 62a_200015260668_100010067687 [1,1,0,0,0,0|2,0,0]=4 2142 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [1,1,0,0,0,0|2,0,0]=4 2143 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 34a_100000057592_200025704644 [1,1,0,0,0,0|1,0,1]=4 2144 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 7a_100000057592_200025704644 [1,1,0,0,0,0|1,0,1]=4 2145 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [1,1,0,0,0,0|0,0,2]=4 2146 B13R1.2900 C=C=Cc1cc(c(cc1N)C)OC 271570a_100015277604_200010584344 [1,1,0,0,0,0|0,0,2]=4 2147 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [1,1,0,0,0,0|0,0,2]=4 2148 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [1,1,0,0,0,0|0,0,2]=4 2149 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [1,1,0,0,0,0|1,0,1]=4 2150 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [1,1,0,0,0,0|1,0,1]=4 2151 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [1,1,0,0,0,0|0,0,1]=3 2152 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [1,1,0,0,0,0|0,0,1]=3 2153 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [1,1,0,0,0,0|1,0,1]=4 2154 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [1,1,0,0,0,0|1,0,1]=4 2155 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [1,1,0,0,0,0|1,0,1]=4 2156 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [1,1,0,0,0,0|1,0,1]=4 2157 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [1,1,0,0,0,0|1,0,1]=4 2158 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [1,1,0,0,0,0|1,0,1]=4 2159 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [1,1,0,0,0,0|1,0,1]=4 2160 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [1,1,0,0,0,0|1,0,1]=4 2161 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [1,1,0,0,0,0|1,0,1]=4 2162 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [1,1,0,0,0,0|0,0,2]=4 2163 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [1,1,0,0,0,0|0,0,1]=3 2164 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [1,1,0,0,0,0|0,0,1]=3 2165 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [1,1,0,0,0,0|0,0,1]=3 2166 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [1,1,0,0,0,0|0,0,1]=3 2167 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [1,1,0,0,0,0|0,0,1]=3 2168 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100000241087_200000210301 [1,1,0,0,0,0|1,0,1]=4 2169 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100102631434_200011290836 [1,1,0,0,0,0|1,0,1]=4 2170 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100000241087_200000210301 [1,1,0,0,0,0|1,0,1]=4 2171 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100102631434_200011290836 [1,1,0,0,0,0|1,0,1]=4 2172 B13R1.35 COc1ccc(cc1C)CN(C)C 270004a_100102631434_100000239718 [1,1,0,0,0,0|1,0,1]=4 2173 B13R1.35 COc1ccc(cc1C)CN(C)C 34a_100000241087_200000210301 [1,1,0,0,0,0|1,0,1]=4 2174 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 2230a_100000241087_200025704644 [1,1,0,0,0,0|1,0,1]=4 2175 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 269982a_100000241087_200025704644 [1,1,0,0,0,0|1,0,1]=4 2176 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 34a_100000241087_200025704644 [1,1,0,0,0,0|1,0,1]=4 2177 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [1,1,0,0,0,0|1,0,1]=4 2178 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [1,1,0,0,0,0|1,0,1]=4 2179 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [1,1,0,0,0,0|1,0,1]=4 2180 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [1,1,0,0,0,0|1,0,1]=4 2181 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [1,1,0,0,0,0|1,0,1]=4 2182 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [1,1,0,0,0,0|1,0,1]=4 2183 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [1,1,0,0,0,0|1,0,1]=4 2184 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [1,1,0,0,0,0|1,0,1]=4 2185 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [1,1,0,0,0,0|1,0,1]=4 2186 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [1,1,0,0,0,0|1,0,1]=4 2187 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [1,1,0,0,0,0|1,0,1]=4 2188 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [1,1,0,0,0,0|1,0,1]=4 2189 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [1,1,0,0,0,0|1,0,1]=4 2190 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [1,1,0,0,0,0|1,0,1]=4 2191 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [1,1,0,0,0,0|0,0,2]=4 2192 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [1,1,0,0,0,0|0,0,1]=3 2193 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [1,1,0,0,0,0|0,0,1]=3 2194 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [1,1,0,0,0,0|0,0,1]=3 2195 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2196 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2197 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2198 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2199 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [1,1,0,0,0,0|1,0,1]=4 2200 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [1,1,0,0,0,0|1,0,1]=4 2201 B13R1.388 C=C=Cc1ccc(c(c1)C)OCC 271570a_100015277604_100011308936 [1,1,0,0,0,0|0,0,2]=4 2202 B13R1.388 CC=Cc1ccc(c(c1)C)OCC 271570a_100016259895_100011308936 [1,1,0,0,0,0|0,0,2]=4 2203 B13R1.388 CCOc1ccc(cc1C)CNC 207a_100102657272_100012017204 [1,1,0,0,0,0|1,0,1]=4 2204 B13R1.388 CCOc1ccc(cc1C)CNC 270004a_106832991635_100012017204 [1,1,0,0,0,0|1,0,1]=4 2205 B13R1.577 C#CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000038162 [1,1,0,0,0,0|0,0,2]=4 2206 B13R1.577 C#CCNc1ccc(c(c1)C)OC 34a_100000743268_100000184674 [1,1,0,0,0,0|0,0,2]=4 2207 B13R1.577 C#CCNc1ccc(c(c1)C)OC 7a_100000743268_100000038162 [1,1,0,0,0,0|0,0,2]=4 2208 B13R1.577 C#CCNc1ccc(c(c1)O)OC 34a_100000211920_100000184674 [1,1,0,0,0,0|0,0,2]=4 2209 B13R1.577 C#CCOc1ccc(c(c1)C)OC 34a_100000759738_100000184674 [1,1,0,0,0,0|0,0,2]=4 2210 B13R1.577 C#CCOc1ccc(c(c1)C)OC 7a_100000759738_100000038162 [1,1,0,0,0,0|0,0,2]=4 2211 B13R1.577 C#CCSc1ccc(c(c1)C)OC 62a_100000038162_100011219705 [1,1,0,0,0,0|0,0,2]=4 2212 B13R1.577 C#CCSc1ccc(c(c1)O)OC 62a_100000038162_100009816560 [1,1,0,0,0,0|0,0,2]=4 2213 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100015514636 [1,1,0,0,0,0|1,0,0]=3 2214 B13R1.577 C=CCNc1ccc(c(c1)C)C#N 34a_100011999795_100015514636 [1,1,0,0,0,0|2,0,0]=4 2215 B13R1.577 C=CCNc1ccc(c(c1)C)C#N 7a_100011999795_100015514636 [1,1,0,0,0,0|2,0,0]=4 2216 B13R1.577 C=CCNc1ccc(c(c1)C)CO 34a_100000102464_100015514636 [1,1,0,0,0,0|2,0,0]=4 2217 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [1,1,0,0,0,0|0,0,0]=2 2218 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [1,1,0,0,0,0|0,0,0]=2 2219 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [1,1,0,0,0,0|0,0,0]=2 2220 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210623 [1,1,0,0,0,0|2,0,0]=4 2221 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100015514636 [1,1,0,0,0,0|2,0,0]=4 2222 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100015514636 [1,1,0,0,0,0|2,0,0]=4 2223 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210623 [1,1,0,0,0,0|1,0,0]=3 2224 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100015514636 [1,1,0,0,0,0|1,0,0]=3 2225 B13R1.577 C=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210623 [1,1,0,0,0,0|1,0,0]=3 2226 B13R1.577 C=CCNc1ccc(c(c1)F)OC 34a_100000740183_100015514636 [1,1,0,0,0,0|1,0,0]=3 2227 B13R1.577 C=CCNc1ccc(c(c1)F)SC 2230a_100000762756_100000210623 [1,1,0,0,0,0|1,1,0]=4 2228 B13R1.577 C=CCNc1ccc(c(c1)F)SC 34a_100000762756_100015514636 [1,1,0,0,0,0|1,1,0]=4 2229 B13R1.577 C=CCNc1ccc(c(c1)I)OC 34a_100011356947_100015514636 [1,1,0,0,0,0|1,0,0]=3 2230 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 34a_100000094571_100015514636 [1,1,0,0,0,0|2,0,0]=4 2231 B13R1.577 C=CCNc1ccc(c(c1)O)C#N 7a_100000094571_100015514636 [1,1,0,0,0,0|2,0,0]=4 2232 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [1,1,0,0,0,0|0,0,0]=2 2233 B13R1.577 C=CCNc1ccc(c(n1)F)OC 27a_100020586998_100010138636 [1,1,0,0,0,0|2,0,0]=4 2234 B13R1.577 C=CCNc1ncc(c(n1)C)OC 27a_100020586998_100010382893 [1,1,0,0,0,0|2,0,0]=4 2235 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100015514636 [1,1,0,0,0,0|1,0,0]=3 2236 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100015514636 [1,1,0,0,0,0|1,0,0]=3 2237 B13R1.577 C=CCOc1ccc(c(c1)C)C#N 34a_100000720286_100015514636 [1,1,0,0,0,0|2,0,0]=4 2238 B13R1.577 C=CCOc1ccc(c(c1)C)C#N 7a_100000720286_100015514636 [1,1,0,0,0,0|2,0,0]=4 2239 B13R1.577 C=CCOc1ccc(c(c1)C)NC 34a_100161107805_100015514636 [1,1,0,0,0,0|1,0,0]=3 2240 B13R1.577 C=CCOc1ccc(c(c1)C)NC 7a_100161107805_100015514636 [1,1,0,0,0,0|1,0,0]=3 2241 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [1,1,0,0,0,0|0,0,0]=2 2242 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [1,1,0,0,0,0|0,0,0]=2 2243 B13R1.577 C=CCOc1ccc(c(c1)C)SC 34a_100000030144_100015514636 [1,1,0,0,0,0|0,1,0]=3 2244 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100015514636 [1,1,0,0,0,0|2,0,0]=4 2245 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100015514636 [1,1,0,0,0,0|2,0,0]=4 2246 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100015514636 [1,1,0,0,0,0|1,0,0]=3 2247 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100015514636 [1,1,0,0,0,0|1,0,0]=3 2248 B13R1.577 C=CCOc1ccc(c(c1)F)OC 34a_100000746305_100015514636 [1,1,0,0,0,0|1,0,0]=3 2249 B13R1.577 C=CCOc1ccc(c(c1)F)OC 7a_100000746305_100015514636 [1,1,0,0,0,0|1,0,0]=3 2250 B13R1.577 C=CCOc1ccc(c(c1)I)OC 34a_100010084122_100015514636 [1,1,0,0,0,0|1,0,0]=3 2251 B13R1.577 C=CCOc1ccc(c(c1)I)OC 7a_100010084122_100015514636 [1,1,0,0,0,0|1,0,0]=3 2252 B13R1.577 C=CCSc1cc(c(cn1)OC)N 62a_100000210623_100010896307 [1,1,0,0,0,0|2,0,0]=4 2253 B13R1.577 C=CCSc1cc(c(cn1)OC)N 62a_100010896307_100000210623 [1,1,0,0,0,0|2,0,0]=4 2254 B13R1.577 C=CCSc1cc(c(cn1)OC)O 62a_100000210623_100010264082 [1,1,0,0,0,0|1,0,0]=3 2255 B13R1.577 C=CCSc1cc(c(nn1)OC)C 62a_100000210623_100010272851 [1,1,0,0,0,0|2,0,0]=4 2256 B13R1.577 C=CCSc1cc(c(nn1)OC)C 62a_100010272851_100000210623 [1,1,0,0,0,0|2,0,0]=4 2257 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100000210623_100011249507 [1,1,0,0,0,0|1,0,0]=3 2258 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210623 [1,1,0,0,0,0|1,0,0]=3 2259 B13R1.577 C=CCSc1ccc(c(c1)C)C#N 62a_100000210623_100000687762 [1,1,0,0,0,0|2,0,0]=4 2260 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000210623_100000766358 [1,1,0,0,0,0|2,0,0]=4 2261 B13R1.577 C=CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210623 [1,1,0,0,0,0|2,0,0]=4 2262 B13R1.577 C=CCSc1ccc(c(c1)C)CF 62a_100000210623_200010711859 [1,1,0,0,0,0|2,0,0]=4 2263 B13R1.577 C=CCSc1ccc(c(c1)C)CF 62a_200010711859_100000210623 [1,1,0,0,0,0|2,0,0]=4 2264 B13R1.577 C=CCSc1ccc(c(c1)C)CN 62a_100000210623_100000753881 [1,1,0,0,0,0|2,0,0]=4 2265 B13R1.577 C=CCSc1ccc(c(c1)C)CN 62a_100000753881_100000210623 [1,1,0,0,0,0|2,0,0]=4 2266 B13R1.577 C=CCSc1ccc(c(c1)C)CO 62a_100000210623_100000748258 [1,1,0,0,0,0|2,0,0]=4 2267 B13R1.577 C=CCSc1ccc(c(c1)C)CO 62a_100000748258_100000210623 [1,1,0,0,0,0|2,0,0]=4 2268 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000210623_100000221803 [1,1,0,0,0,0|1,0,0]=3 2269 B13R1.577 C=CCSc1ccc(c(c1)C)NC 62a_100000221803_100000210623 [1,1,0,0,0,0|1,0,0]=3 2270 B13R1.577 C=CCSc1ccc(c(c1)C)NN 62a_100000210623_100000751375 [1,1,0,0,0,0|2,0,0]=4 2271 B13R1.577 C=CCSc1ccc(c(c1)C)NN 62a_100000751375_100000210623 [1,1,0,0,0,0|2,0,0]=4 2272 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [1,1,0,0,0,0|0,0,0]=2 2273 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [1,1,0,0,0,0|0,0,0]=2 2274 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100000210623_100012355395 [1,1,0,0,0,0|1,0,0]=3 2275 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210623 [1,1,0,0,0,0|1,0,0]=3 2276 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_100000210623_206447510565 [1,1,0,0,0,0|1,1,0]=4 2277 B13R1.577 C=CCSc1ccc(c(c1)Cl)SC 62a_206447510565_100000210623 [1,1,0,0,0,0|1,1,0]=4 2278 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_100000210623_200010071577 [1,1,0,0,0,0|2,0,0]=4 2279 B13R1.577 C=CCSc1ccc(c(c1)F)CC 62a_200010071577_100000210623 [1,1,0,0,0,0|2,0,0]=4 2280 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000210623_100000743884 [1,1,0,0,0,0|2,0,0]=4 2281 B13R1.577 C=CCSc1ccc(c(c1)F)NC 62a_100000743884_100000210623 [1,1,0,0,0,0|2,0,0]=4 2282 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210623 [1,1,0,0,0,0|1,0,0]=3 2283 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000210623_100000171752 [1,1,0,0,0,0|1,0,0]=3 2284 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100000210623_100010161220 [1,1,0,0,0,0|1,1,0]=4 2285 B13R1.577 C=CCSc1ccc(c(c1)F)SC 62a_100010161220_100000210623 [1,1,0,0,0,0|1,1,0]=4 2286 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100000210623_100012354963 [1,1,0,0,0,0|2,0,0]=4 2287 B13R1.577 C=CCSc1ccc(c(c1)N)CC 62a_100012354963_100000210623 [1,1,0,0,0,0|2,0,0]=4 2288 B13R1.577 C=CCSc1ccc(c(c1)N)NC 62a_100000741790_100000210623 [1,1,0,0,0,0|2,0,0]=4 2289 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100000210623_100011249504 [1,1,0,0,0,0|1,0,0]=3 2290 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210623 [1,1,0,0,0,0|1,0,0]=3 2291 B13R1.577 C=CCSc1ccc(c(c1)O)C#N 62a_100000210623_100011934713 [1,1,0,0,0,0|2,0,0]=4 2292 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100000210623_100011277552 [1,1,0,0,0,0|2,0,0]=4 2293 B13R1.577 C=CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210623 [1,1,0,0,0,0|2,0,0]=4 2294 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210623 [1,1,0,0,0,0|2,0,0]=4 2295 B13R1.577 C=CCSc1ccc(c(c1)O)CO 62a_100000210623_100000071718 [1,1,0,0,0,0|2,0,0]=4 2296 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [1,1,0,0,0,0|0,0,0]=2 2297 B13R1.577 C=CCSc1ccc(c(n1)Br)OC 62a_100000210623_100010214827 [1,1,0,0,0,0|2,0,0]=4 2298 B13R1.577 C=CCSc1ccc(c(n1)Br)OC 62a_100010214827_100000210623 [1,1,0,0,0,0|2,0,0]=4 2299 B13R1.577 C=CCSc1ccc(c(n1)C)OC 62a_100000210623_100010244750 [1,1,0,0,0,0|1,0,0]=3 2300 B13R1.577 C=CCSc1ccc(c(n1)C)OC 62a_100010244750_100000210623 [1,1,0,0,0,0|1,0,0]=3 2301 B13R1.577 C=CCSc1ccc(c(n1)Cl)OC 62a_100000210623_100010233546 [1,1,0,0,0,0|2,0,0]=4 2302 B13R1.577 C=CCSc1ccc(c(n1)F)OC 62a_100000210623_100010138636 [1,1,0,0,0,0|2,0,0]=4 2303 B13R1.577 C=CCSc1ccc(c(n1)F)OC 62a_100010138636_100000210623 [1,1,0,0,0,0|2,0,0]=4 2304 B13R1.577 C=CCSc1ccc(c(n1)N)OC 62a_100010192976_100000210623 [1,1,0,0,0,0|2,0,0]=4 2305 B13R1.577 C=CCSc1cnc(c(c1)Br)OC 62a_100000210623_200010988584 [1,1,0,0,0,0|2,0,0]=4 2306 B13R1.577 C=CCSc1cnc(c(c1)Br)OC 62a_200010988584_100000210623 [1,1,0,0,0,0|2,0,0]=4 2307 B13R1.577 C=CCSc1cnc(c(c1)C)NC 62a_100000210623_100012357622 [1,1,0,0,0,0|2,0,0]=4 2308 B13R1.577 C=CCSc1cnc(c(c1)C)NC 62a_100012357622_100000210623 [1,1,0,0,0,0|2,0,0]=4 2309 B13R1.577 C=CCSc1cnc(c(c1)C)OC 62a_100000210623_100011290809 [1,1,0,0,0,0|1,0,0]=3 2310 B13R1.577 C=CCSc1cnc(c(c1)C)OC 62a_100011290809_100000210623 [1,1,0,0,0,0|1,0,0]=3 2311 B13R1.577 C=CCSc1cnc(c(c1)F)OC 62a_100000210623_100011880707 [1,1,0,0,0,0|2,0,0]=4 2312 B13R1.577 C=CCSc1cnc(c(c1)F)OC 62a_100011880707_100000210623 [1,1,0,0,0,0|2,0,0]=4 2313 B13R1.577 C=CCSc1cnc(c(c1)N)OC 62a_100000210623_100000748608 [1,1,0,0,0,0|2,0,0]=4 2314 B13R1.577 C=CCSc1cnc(c(c1)N)OC 62a_100000748608_100000210623 [1,1,0,0,0,0|2,0,0]=4 2315 B13R1.577 C=CCSc1cnc(c(c1)O)OC 62a_100000210623_100010135713 [1,1,0,0,0,0|1,0,0]=3 2316 B13R1.577 C=CCSc1ncc(c(n1)C)OC 62a_100000210623_100010382893 [1,1,0,0,0,0|2,0,0]=4 2317 B13R1.577 C=CCSc1ncc(c(n1)C)OC 62a_100010382893_100000210623 [1,1,0,0,0,0|2,0,0]=4 2318 B13R1.577 CCCCc1ccc(c(c1)C)OC 271570a_100020621405_100011219705 [1,1,0,0,0,0|0,0,2]=4 2319 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [1,1,0,0,0,0|0,0,2]=4 2320 B13R1.577 CCCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210303 [1,1,0,0,0,0|0,0,2]=4 2321 B13R1.577 CCCNc1ccc(c(c1)C)OC 34a_100000743268_100000210303 [1,1,0,0,0,0|0,0,2]=4 2322 B13R1.577 CCCNc1ccc(c(c1)C)OC 7a_100000743268_100000210303 [1,1,0,0,0,0|0,0,2]=4 2323 B13R1.577 CCCNc1ccc(c(c1)O)OC 34a_100000211920_100000210303 [1,1,0,0,0,0|0,0,2]=4 2324 B13R1.577 CCCOc1ccc(c(c1)C)OC 34a_100000759738_100000210303 [1,1,0,0,0,0|0,0,2]=4 2325 B13R1.577 CCCOc1ccc(c(c1)C)OC 7a_100000759738_100000210303 [1,1,0,0,0,0|0,0,2]=4 2326 B13R1.577 CCCSc1ccc(c(c1)C)OC 62a_100000210303_100011219705 [1,1,0,0,0,0|0,0,2]=4 2327 B13R1.577 CCCSc1ccc(c(c1)C)OC 62a_100011219705_100000210303 [1,1,0,0,0,0|0,0,2]=4 2328 B13R1.577 CCCSc1ccc(c(c1)O)OC 62a_100000210303_100009816560 [1,1,0,0,0,0|0,0,2]=4 2329 B13R1.577 CCNCc1ccc(c(c1)C)OC 207a_100015525214_100000239718 [1,1,0,0,0,0|0,0,2]=4 2330 B13R1.577 CCNCc1ccc(c(c1)C)OC 2230a_100015525214_200011290836 [1,1,0,0,0,0|0,0,2]=4 2331 B13R1.577 CCNCc1ccc(c(c1)C)OC 2230a_100102679029_100000210202 [1,1,0,0,0,0|0,0,2]=4 2332 B13R1.577 CCNCc1ccc(c(c1)C)OC 270004a_100015525214_100000239718 [1,1,0,0,0,0|0,0,2]=4 2333 B13R1.577 CCNCc1ccc(c(c1)C)OC 34a_100102679029_100000210202 [1,1,0,0,0,0|0,0,2]=4 2334 B13R1.577 CCNCc1ccc(c(c1)O)OC 34a_100000740000_100000210202 [1,1,0,0,0,0|0,0,2]=4 2335 B13R1.577 CCOCc1ccc(c(c1)C)OC 34a_100121572206_200011290836 [1,1,0,0,0,0|0,0,2]=4 2336 B13R1.577 CCOCc1ccc(c(c1)C)OC 34a_200011290855_100000210202 [1,1,0,0,0,0|0,0,2]=4 2337 B13R1.577 CCOCc1ccc(c(c1)C)OC 7a_200011290855_100000210202 [1,1,0,0,0,0|0,0,2]=4 2338 B13R1.577 CCSCc1ccc(c(c1)C)OC 62a_100000210202_200011290836 [1,1,0,0,0,0|0,0,2]=4 2339 B13R1.577 CCSCc1ccc(c(c1)C)OC 62a_200011290836_100000210202 [1,1,0,0,0,0|0,0,2]=4 2340 B13R1.577 CNCCc1ccc(c(c1)O)OC 2230a_100011207234_200000210301 [1,1,0,0,0,0|0,0,2]=4 2341 B13R1.577 CNCCc1ccc(c(c1)O)OC 34a_100011207234_200000210301 [1,1,0,0,0,0|0,0,2]=4 2342 B13R1.577 CNc1ccc(cc1C)OCC=O 34a_100161107805_200009817547 [1,1,0,0,0,0|2,0,0]=4 2343 B13R1.577 CNc1ccc(cc1C)OCC=O 7a_100161107805_200015260668 [1,1,0,0,0,0|2,0,0]=4 2344 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_100000221803_200015260668 [1,1,0,0,0,0|2,0,0]=4 2345 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_200015260668_100000221803 [1,1,0,0,0,0|2,0,0]=4 2346 B13R1.577 COCNc1ccc(c(c1)C)OC 2230a_100000743268_100000766300 [1,1,0,0,0,0|1,0,1]=4 2347 B13R1.577 COCOc1ccc(c(c1)O)OC 271570a_203496583355_200161107199 [1,1,0,0,0,0|1,0,1]=4 2348 B13R1.577 COCSc1ccc(c(c1)C)OC 62a_100000766300_100011219705 [1,1,0,0,0,0|1,0,1]=4 2349 B13R1.577 COCSc1ccc(c(c1)C)OC 62a_100011219705_100000766300 [1,1,0,0,0,0|1,0,1]=4 2350 B13R1.577 COCSc1ccc(c(c1)O)OC 62a_100000766300_100009816560 [1,1,0,0,0,0|1,0,1]=4 2351 B13R1.577 COc1ccc(cc1Br)NCC=O 34a_100000187427_200009817547 [1,1,0,0,0,0|2,0,0]=4 2352 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [1,1,0,0,0,0|2,0,0]=4 2353 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [1,1,0,0,0,0|2,0,0]=4 2354 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_100011249507_200015260668 [1,1,0,0,0,0|2,0,0]=4 2355 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_200015260668_100011249507 [1,1,0,0,0,0|2,0,0]=4 2356 B13R1.577 COc1ccc(cc1C)CNCF 34a_100102679029_100015361967 [1,1,0,0,0,0|1,0,1]=4 2357 B13R1.577 COc1ccc(cc1C)COCF 34a_200011290855_100015361967 [1,1,0,0,0,0|1,0,1]=4 2358 B13R1.577 COc1ccc(cc1C)COCF 7a_200011290855_100015361967 [1,1,0,0,0,0|1,0,1]=4 2359 B13R1.577 COc1ccc(cc1C)CSCF 62a_100015361967_200011290836 [1,1,0,0,0,0|1,0,1]=4 2360 B13R1.577 COc1ccc(cc1C)CSCF 62a_200011290836_100015361967 [1,1,0,0,0,0|1,0,1]=4 2361 B13R1.577 COc1ccc(cc1C)NCC#N 2230a_100000743268_100011215382 [1,1,0,0,0,0|1,0,1]=4 2362 B13R1.577 COc1ccc(cc1C)NCC#N 7a_100000743268_100011215382 [1,1,0,0,0,0|1,0,1]=4 2363 B13R1.577 COc1ccc(cc1C)NCC=O 2230a_100000743268_200015260668 [1,1,0,0,0,0|1,0,0]=3 2364 B13R1.577 COc1ccc(cc1C)NCC=O 34a_100000743268_200009817547 [1,1,0,0,0,0|1,0,0]=3 2365 B13R1.577 COc1ccc(cc1C)NCC=O 7a_100000743268_200015260668 [1,1,0,0,0,0|1,0,0]=3 2366 B13R1.577 COc1ccc(cc1C)NCCF 2230a_100000743268_100011217306 [1,1,0,0,0,0|1,0,1]=4 2367 B13R1.577 COc1ccc(cc1C)NCCF 34a_100000743268_100011217306 [1,1,0,0,0,0|1,0,1]=4 2368 B13R1.577 COc1ccc(cc1C)NCCF 7a_100000743268_100011217306 [1,1,0,0,0,0|1,0,1]=4 2369 B13R1.577 COc1ccc(cc1C)NCCO 2230a_100000743268_100000211926 [1,1,0,0,0,0|1,0,1]=4 2370 B13R1.577 COc1ccc(cc1C)NCCO 34a_100000743268_100000211926 [1,1,0,0,0,0|1,0,1]=4 2371 B13R1.577 COc1ccc(cc1C)NCCO 7a_100000743268_100000211926 [1,1,0,0,0,0|1,0,1]=4 2372 B13R1.577 COc1ccc(cc1C)NCSC 2230a_100000743268_100011218213 [1,1,0,0,0,0|1,0,1]=4 2373 B13R1.577 COc1ccc(cc1C)NCSC 34a_100000743268_100011218213 [1,1,0,0,0,0|1,0,1]=4 2374 B13R1.577 COc1ccc(cc1C)OCC#N 7a_100000759738_100011215382 [1,1,0,0,0,0|1,0,1]=4 2375 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [1,1,0,0,0,0|1,0,0]=3 2376 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [1,1,0,0,0,0|1,0,0]=3 2377 B13R1.577 COc1ccc(cc1C)OCCF 34a_100000759738_100011217306 [1,1,0,0,0,0|1,0,1]=4 2378 B13R1.577 COc1ccc(cc1C)OCCF 7a_100000759738_100011217306 [1,1,0,0,0,0|1,0,1]=4 2379 B13R1.577 COc1ccc(cc1C)OCCO 34a_100000759738_100000211926 [1,1,0,0,0,0|1,0,1]=4 2380 B13R1.577 COc1ccc(cc1C)OCCO 7a_100000759738_100000211926 [1,1,0,0,0,0|1,0,1]=4 2381 B13R1.577 COc1ccc(cc1C)OCSC 34a_100000759738_100011218213 [1,1,0,0,0,0|1,0,1]=4 2382 B13R1.577 COc1ccc(cc1C)SCC#N 62a_100011215382_100011219705 [1,1,0,0,0,0|1,0,1]=4 2383 B13R1.577 COc1ccc(cc1C)SCC#N 62a_100011219705_100011215382 [1,1,0,0,0,0|1,0,1]=4 2384 B13R1.577 COc1ccc(cc1C)SCC=O 62a_100011219705_200015260668 [1,1,0,0,0,0|1,0,0]=3 2385 B13R1.577 COc1ccc(cc1C)SCC=O 62a_200015260668_100011219705 [1,1,0,0,0,0|1,0,0]=3 2386 B13R1.577 COc1ccc(cc1C)SCCF 62a_100011217306_100011219705 [1,1,0,0,0,0|1,0,1]=4 2387 B13R1.577 COc1ccc(cc1C)SCCF 62a_100011219705_100011217306 [1,1,0,0,0,0|1,0,1]=4 2388 B13R1.577 COc1ccc(cc1C)SCCO 62a_100000211926_100011219705 [1,1,0,0,0,0|1,0,1]=4 2389 B13R1.577 COc1ccc(cc1C)SCCO 62a_100011219705_100000211926 [1,1,0,0,0,0|1,0,1]=4 2390 B13R1.577 COc1ccc(cc1C)SCSC 62a_100011218213_100011219705 [1,1,0,0,0,0|1,0,1]=4 2391 B13R1.577 COc1ccc(cc1C)SCSC 62a_100011219705_100011218213 [1,1,0,0,0,0|1,0,1]=4 2392 B13R1.577 COc1ccc(cc1Cl)NCC=O 2230a_100000211044_200015260668 [1,1,0,0,0,0|2,0,0]=4 2393 B13R1.577 COc1ccc(cc1Cl)NCC=O 34a_100000211044_200009817547 [1,1,0,0,0,0|2,0,0]=4 2394 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [1,1,0,0,0,0|2,0,0]=4 2395 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [1,1,0,0,0,0|2,0,0]=4 2396 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_100012355395_200015260668 [1,1,0,0,0,0|2,0,0]=4 2397 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_200015260668_100012355395 [1,1,0,0,0,0|2,0,0]=4 2398 B13R1.577 COc1ccc(cc1F)NCC=O 2230a_100000740183_200015260668 [1,1,0,0,0,0|2,0,0]=4 2399 B13R1.577 COc1ccc(cc1F)NCC=O 34a_100000740183_200009817547 [1,1,0,0,0,0|2,0,0]=4 2400 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [1,1,0,0,0,0|2,0,0]=4 2401 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [1,1,0,0,0,0|2,0,0]=4 2402 B13R1.577 COc1ccc(cc1F)SCC=O 62a_100000171752_200015260668 [1,1,0,0,0,0|2,0,0]=4 2403 B13R1.577 COc1ccc(cc1F)SCC=O 62a_200015260668_100000171752 [1,1,0,0,0,0|2,0,0]=4 2404 B13R1.577 COc1ccc(cc1I)NCC=O 34a_100011356947_200009817547 [1,1,0,0,0,0|2,0,0]=4 2405 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [1,1,0,0,0,0|2,0,0]=4 2406 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [1,1,0,0,0,0|2,0,0]=4 2407 B13R1.577 COc1ccc(cc1N)SCC=O 62a_100011249504_200015260668 [1,1,0,0,0,0|2,0,0]=4 2408 B13R1.577 COc1ccc(cc1N)SCC=O 62a_200015260668_100011249504 [1,1,0,0,0,0|2,0,0]=4 2409 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 2230a_100011207234_200025704644 [1,1,0,0,0,0|0,0,2]=4 2410 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 34a_100011207234_200025704644 [1,1,0,0,0,0|0,0,2]=4 2411 B13R1.577 COc1ccc(cc1O)CNCF 34a_100000740000_100015361967 [1,1,0,0,0,0|1,0,1]=4 2412 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [1,1,0,0,0,0|1,0,0]=3 2413 B13R1.577 COc1ccc(cc1O)NCCF 34a_100000211920_100011217306 [1,1,0,0,0,0|1,0,1]=4 2414 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [1,1,0,0,0,0|1,0,1]=4 2415 B13R1.577 COc1ccc(cc1O)NCSC 34a_100000211920_100011218213 [1,1,0,0,0,0|1,0,1]=4 2416 B13R1.577 COc1ccc(cc1O)SCC#N 62a_100011215382_100009816560 [1,1,0,0,0,0|1,0,1]=4 2417 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [1,1,0,0,0,0|1,0,0]=3 2418 B13R1.577 COc1ccc(cc1O)SCCF 62a_100011217306_100009816560 [1,1,0,0,0,0|1,0,1]=4 2419 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [1,1,0,0,0,0|1,0,1]=4 2420 B13R1.577 COc1ccc(cc1O)SCSC 62a_100011218213_100009816560 [1,1,0,0,0,0|1,0,1]=4 2421 B13R1.577 COc1ccc(nc1C)SCC=O 62a_100010244750_200015260668 [1,1,0,0,0,0|2,0,0]=4 2422 B13R1.577 COc1ccc(nc1C)SCC=O 62a_200015260668_100010244750 [1,1,0,0,0,0|2,0,0]=4 2423 B13R1.577 COc1cnc(cc1O)SCC=O 62a_200015260668_100010264082 [1,1,0,0,0,0|2,0,0]=4 2424 B13R1.577 COc1ncc(cc1C)SCC=O 62a_100011290809_200015260668 [1,1,0,0,0,0|2,0,0]=4 2425 B13R1.577 COc1ncc(cc1C)SCC=O 62a_200015260668_100011290809 [1,1,0,0,0,0|2,0,0]=4 2426 B13R1.577 COc1ncc(cc1O)SCC=O 62a_200015260668_100010135713 [1,1,0,0,0,0|2,0,0]=4 2427 B13R1.577 CSc1ccc(cc1C)OCC=O 34a_100000030144_200009817547 [1,1,0,0,0,0|1,1,0]=4 2428 B13R1.1254 C=C=Cc1ccc(c(c1C)C)OC 271570a_100015277604_100000049725 [1,1,0,0,0,0|0,0,2]=4 2429 B13R1.1254 CC=Cc1ccc(c(c1C)C)OC 271570a_100016259895_100000049725 [1,1,0,0,0,0|0,0,2]=4 2430 B13R1.1254 CNCc1ccc(c(c1C)C)OC 207a_100102657272_100000032066 [1,1,0,0,0,0|1,0,1]=4 2431 B13R1.1254 CNCc1ccc(c(c1C)C)OC 270004a_106832991635_100000032066 [1,1,0,0,0,0|1,0,1]=4 2432 B13R1.2901 C=C=Cc1cc(c(cc1C)OC)C 271570a_100015277604_100000698960 [1,1,0,0,0,0|0,0,2]=4 2433 B13R1.2901 C=C=Cc1cc(c(cc1N)OC)C 271570a_100015277604_100010244135 [1,1,0,0,0,0|0,0,2]=4 2434 B13R1.2901 CC=Cc1cc(c(cc1C)OC)C 271570a_100016259895_100000698960 [1,1,0,0,0,0|0,0,2]=4 2435 B13R1.2901 CC=Cc1cc(c(cc1N)OC)C 271570a_100016259895_100010244135 [1,1,0,0,0,0|0,0,2]=4 2436 B13R1.2901 CNCc1cc(c(cc1C)OC)C 207a_100102657272_100000186736 [1,1,0,0,0,0|1,0,1]=4 2437 B13R1.2901 CNCc1cc(c(cc1C)OC)C 270004a_106832991635_100000186736 [1,1,0,0,0,0|1,0,1]=4 2438 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [1,1,0,0,0,0|1,0,1]=4 2439 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [1,1,0,0,0,0|1,0,1]=4 2440 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [1,1,0,0,0,0|1,0,1]=4 2441 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [1,1,0,0,0,0|1,0,1]=4 2442 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [1,1,0,0,0,0|1,0,1]=4 2443 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [1,1,0,0,0,0|1,0,1]=4 2444 B13R1.4031 C=C=Cc1cc(c(c(c1)Br)OC)C 271570a_100015277604_100010997178 [1,1,0,0,0,0|0,0,2]=4 2445 B13R1.4031 C=C=Cc1cc(c(c(c1)C)OC)C 271570a_100015277604_100000211903 [1,1,0,0,0,0|0,0,2]=4 2446 B13R1.4031 CC=Cc1cc(c(c(c1)Br)OC)C 271570a_100016259895_100010997178 [1,1,0,0,0,0|0,0,2]=4 2447 B13R1.4031 CC=Cc1cc(c(c(c1)C)OC)C 271570a_100016259895_100000211903 [1,1,0,0,0,0|0,0,2]=4 2448 B13R1.4031 CNCc1cc(c(c(c1)C)OC)C 207a_100102657272_100000744411 [1,1,0,0,0,0|1,0,1]=4 2449 B13R1.4031 CNCc1cc(c(c(c1)C)OC)C 270004a_106832991635_100000744411 [1,1,0,0,0,0|1,0,1]=4 2450 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)O 270004a_106832991635_200010620221 [1,1,0,0,0,0|1,0,1]=4 2451 B15R1.1062 C=CCNc1ccc(c(c1)OC)[N+](=O)[O-] 2230a_102125277084_100000210623 [0,2,0,0,0,0|2,0,0]=4 2452 B15R1.1062 C=CCNc1ccc(c(c1)OC)[N+](=O)[O-] 34a_102125277084_100015514636 [0,2,0,0,0,0|2,0,0]=4 2453 B15R1.1062 C=CCOc1ccc(c(c1)OC)C(=O)C 34a_100000116857_100015514636 [0,2,0,0,0,0|1,0,0]=3 2454 B15R1.1062 C=CCOc1ccc(c(c1)OC)C(=O)C 7a_100000116857_100015514636 [0,2,0,0,0,0|1,0,0]=3 2455 B15R1.1062 C=CCOc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_100015514636 [0,2,0,0,0,0|2,0,0]=4 2456 B15R1.1062 C=CCOc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_100015514636 [0,2,0,0,0,0|2,0,0]=4 2457 B15R1.1062 C=CCSc1ccc(c(c1)OC)B(O)O 62a_100010245881_100000210623 [0,2,0,0,0,0|2,0,0]=4 2458 B15R1.1062 C=CCSc1ccc(c(c1)OC)C(=O)C 62a_100000709911_100000210623 [0,2,0,0,0,0|1,0,0]=3 2459 B15R1.1062 C=CCSc1ccc(c(c1)OC)C(=O)N 62a_100000748320_100000210623 [0,2,0,0,0,0|2,0,0]=4 2460 B15R1.1062 C=CCSc1ccc(c(c1)OC)C(F)F 62a_100000210623_100010146106 [0,2,0,0,0,0|2,0,0]=4 2461 B15R1.1062 C=CCSc1ccc(c(c1)OC)C(F)F 62a_100010146106_100000210623 [0,2,0,0,0,0|2,0,0]=4 2462 B15R1.1062 C=CCSc1cnc(c(c1)OC)C(=O)C 62a_100000210623_100010137934 [0,2,0,0,0,0|2,0,0]=4 2463 B15R1.1062 C=CCSc1cnc(c(c1)OC)C(=O)C 62a_100010137934_100000210623 [0,2,0,0,0,0|2,0,0]=4 2464 B15R1.1062 COc1cc(ccc1C(=O)C)OCC=O 34a_100000116857_200009817547 [0,2,0,0,0,0|2,0,0]=4 2465 B15R1.1062 COc1cc(ccc1C(=O)C)OCC=O 7a_100000116857_200015260668 [0,2,0,0,0,0|2,0,0]=4 2466 B15R1.1062 COc1cc(ccc1C(=O)C)SCC=O 62a_100000709911_200015260668 [0,2,0,0,0,0|2,0,0]=4 2467 B15R1.9631 C=C=Cc1ccc(c(c1)OC)C(=O)OC 271570a_100015277604_100000708095 [0,2,0,0,0,0|0,0,2]=4 2468 B15R1.9631 CC=Cc1ccc(c(c1)OC)C(=O)OC 271570a_100016259895_100000708095 [0,2,0,0,0,0|0,0,2]=4 2469 B15R1.9631 CNCc1ccc(c(c1)OC)C(=O)OC 2230a_106832991635_100000695403 [0,2,0,0,0,0|1,0,1]=4 2470 B15R1.9631 CNCc1ccc(c(c1)OC)C(=O)OC 34a_100102657272_100000695403 [0,2,0,0,0,0|1,0,1]=4 2471 B15R1.9631 CNCc1ccc(c(c1)OC)C(=O)OC 7a_106832991635_100000695403 [0,2,0,0,0,0|1,0,1]=4 2472 B15R1.9631 COC(=O)c1ccc(cc1OC)CSC 62a_100000695403_200000210301 [0,2,0,0,0,0|1,0,1]=4 2473 B15R1.9631 COC(=O)c1ccc(cc1OC)CS[13CH3] 62a_100000695403_200025704644 [0,2,0,0,0,0|1,0,1]=4 2474 B15R1.9631 COCc1ccc(c(c1)OC)C(=O)OC 34a_100138415774_100000695403 [0,2,0,0,0,0|1,0,1]=4 2475 B15R1.815 C#CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000184674 [0,2,0,0,0,0|0,0,2]=4 2476 B15R1.815 C=CCC(=O)c1ccc(c(c1)C#N)OC 1458a_100011999887_100000210623 [0,2,0,0,0,0|2,0,0]=4 2477 B15R1.815 C=CCC(=O)c1ccc(c(c1)OC)C#N 1458a_100009879710_100000210623 [0,2,0,0,0,0|2,0,0]=4 2478 B15R1.815 C=CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210623 [0,2,0,0,0,0|0,0,0]=2 2479 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210303 [0,2,0,0,0,0|0,0,2]=4 2480 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 34a_200010659475_200000210301 [0,2,0,0,0,0|0,0,2]=4 2481 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 7a_200010659475_200000210301 [0,2,0,0,0,0|0,0,2]=4 2482 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_200010659475_200025704644 [0,2,0,0,0,0|0,0,2]=4 2483 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_200010659475_200025704644 [0,2,0,0,0,0|0,0,2]=4 2484 B15R1.815 CCNC(C)c1ccc(c(c1)OC)OC 269862a_100015525214_100000171757 [0,2,0,0,0,0|0,0,2]=4 2485 B15R1.815 CCN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_100000210202 [0,2,0,0,0,0|0,0,2]=4 2486 B15R1.815 CCOC(C)c1ccc(c(c1)OC)OC 34a_100000246476_100000210202 [0,2,0,0,0,0|0,0,2]=4 2487 B15R1.815 CCOC(C)c1ccc(c(c1)OC)OC 7a_100000246476_100000210202 [0,2,0,0,0,0|0,0,2]=4 2488 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 2230a_106832991635_100000184214 [0,2,0,0,0,0|1,0,1]=4 2489 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 7a_106832991635_100000184214 [0,2,0,0,0,0|1,0,1]=4 2490 B15R1.815 CNCC(C)c1ccc(c(c1)OC)OC 270004a_106832991635_100000697277 [0,2,0,0,0,0|0,0,2]=4 2491 B15R1.815 COC[C@H](N)c1ccc(c(c1)OC)OC 34a_100009818805_200000210301 [0,2,0,0,0,0|0,0,2]=4 2492 B15R1.815 COc1ccc(cc1OC)C(=O)CC#N 1458a_100000211223_100011214920 [0,2,0,0,0,0|1,0,1]=4 2493 B15R1.815 COc1ccc(cc1OC)C(=O)CCF 1458a_100000211223_100011217306 [0,2,0,0,0,0|1,0,1]=4 2494 B15R1.815 COc1ccc(cc1OC)C(=O)CCO 1458a_100000211223_100000211926 [0,2,0,0,0,0|1,0,1]=4 2495 B15R1.815 COc1ccc(cc1OC)C(=O)CSC 62a_100000184214_200000210301 [0,2,0,0,0,0|1,0,1]=4 2496 B15R1.815 COc1ccc(cc1OC)C(=O)CS[13CH3] 62a_100000184214_200025704644 [0,2,0,0,0,0|1,0,1]=4 2497 B15R1.815 COc1ccc(cc1OC)C(C)OCF 34a_100000246476_100015361967 [0,2,0,0,0,0|1,0,1]=4 2498 B15R1.815 COc1ccc(cc1OC)C(C)OCF 7a_100000246476_100015361967 [0,2,0,0,0,0|1,0,1]=4 2499 B15R1.815 COc1ccc(cc1OC)[C@@H](N)CO[13CH3] 34a_100009818805_200025704644 [0,2,0,0,0,0|0,0,2]=4 2500 B15R1.1195 C#CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000688953 [0,2,0,0,0,0|0,0,2]=4 2501 B15R1.1195 C#CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000688953 [0,2,0,0,0,0|0,0,2]=4 2502 B15R1.1195 C#CCCSc1ccc(c(c1)OC)OC 62a_100000688953_100011356967 [0,2,0,0,0,0|0,0,2]=4 2503 B15R1.1195 C#CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000184674 [0,2,0,0,0,0|0,0,2]=4 2504 B15R1.1195 C#CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000184674 [0,2,0,0,0,0|0,0,2]=4 2505 B15R1.1195 C#CCSCc1ccc(c(c1)OC)OC 62a_100000038162_100011233839 [0,2,0,0,0,0|0,0,2]=4 2506 B15R1.1195 C/C=C/CNc1ccc(c(c1)C#N)OC 34a_100011204338_100102629194 [0,2,0,0,0,0|2,0,0]=4 2507 B15R1.1195 C/C=C/CNc1ccc(c(c1)C#N)OC 7a_100011204338_100102629194 [0,2,0,0,0,0|2,0,0]=4 2508 B15R1.1195 C/C=C/CNc1ccc(c(c1)OC)C#N 34a_100011999456_100102629194 [0,2,0,0,0,0|2,0,0]=4 2509 B15R1.1195 C/C=C/CNc1ccc(c(c1)OC)CO 34a_100012183141_100102629194 [0,2,0,0,0,0|2,0,0]=4 2510 B15R1.1195 C/C=C/CNc1ccc(c(c1)OC)OC 34a_100000187404_100102629194 [0,2,0,0,0,0|0,0,0]=2 2511 B15R1.1195 C/C=C/COc1ccc(c(c1)OC)CO 34a_200000116926_100102629194 [0,2,0,0,0,0|2,0,0]=4 2512 B15R1.1195 C/C=C/COc1ccc(c(c1)OC)OC 34a_100000039706_100102629194 [0,2,0,0,0,0|0,0,0]=2 2513 B15R1.1195 C/C=C/CSc1cc(c(nn1)OC)OC 62a_100102629194_200000095610 [0,2,0,0,0,0|2,0,0]=4 2514 B15R1.1195 C/C=C/CSc1ccc(c(c1)C#N)OC 62a_100102629194_100000188252 [0,2,0,0,0,0|2,0,0]=4 2515 B15R1.1195 C/C=C/CSc1ccc(c(c1)C=O)OC 62a_100000170026_100102629194 [0,2,0,0,0,0|2,0,0]=4 2516 B15R1.1195 C/C=C/CSc1ccc(c(c1)C=O)OC 62a_100102629194_100000170026 [0,2,0,0,0,0|2,0,0]=4 2517 B15R1.1195 C/C=C/CSc1ccc(c(c1)CC)OC 62a_100102629194_200010179862 [0,2,0,0,0,0|1,0,0]=3 2518 B15R1.1195 C/C=C/CSc1ccc(c(c1)CC)OC 62a_200010179862_100102629194 [0,2,0,0,0,0|1,0,0]=3 2519 B15R1.1195 C/C=C/CSc1ccc(c(c1)CN)OC 62a_100000690498_100102629194 [0,2,0,0,0,0|2,0,0]=4 2520 B15R1.1195 C/C=C/CSc1ccc(c(c1)CN)OC 62a_100102629194_100000690498 [0,2,0,0,0,0|2,0,0]=4 2521 B15R1.1195 C/C=C/CSc1ccc(c(c1)CO)OC 62a_100000204679_100102629194 [0,2,0,0,0,0|2,0,0]=4 2522 B15R1.1195 C/C=C/CSc1ccc(c(c1)CO)OC 62a_100102629194_100000204679 [0,2,0,0,0,0|2,0,0]=4 2523 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)C#N 62a_100102629194_100000694671 [0,2,0,0,0,0|2,0,0]=4 2524 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)C=O 62a_100000697075_100102629194 [0,2,0,0,0,0|2,0,0]=4 2525 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)C=O 62a_100102629194_100010290300 [0,2,0,0,0,0|2,0,0]=4 2526 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)CC 62a_100102629194_200010710398 [0,2,0,0,0,0|1,0,0]=3 2527 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)CC 62a_200010710398_100102629194 [0,2,0,0,0,0|1,0,0]=3 2528 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)CO 62a_100011277633_100102629194 [0,2,0,0,0,0|2,0,0]=4 2529 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)CO 62a_100102629194_100011277633 [0,2,0,0,0,0|2,0,0]=4 2530 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)OC 62a_100102629194_100011356967 [0,2,0,0,0,0|0,0,0]=2 2531 B15R1.1195 C/C=C/CSc1ccc(c(c1)OC)SC 62a_200011001119_100102629194 [0,2,0,0,0,0|0,1,0]=3 2532 B15R1.1195 C/C=C/CSc1ccc(c(c1)SC)OC 62a_200009892704_100102629194 [0,2,0,0,0,0|0,1,0]=3 2533 B15R1.1195 C/C=C/CSc1ccc(c(n1)OC)OC 62a_100102629194_100010214848 [0,2,0,0,0,0|1,0,0]=3 2534 B15R1.1195 C/C=C/CSc1cnc(c(c1)OC)OC 62a_100102629194_100010234541 [0,2,0,0,0,0|1,0,0]=3 2535 B15R1.1195 C/C=C/CSc1cnc(c(n1)OC)OC 62a_100010132954_100102629194 [0,2,0,0,0,0|2,0,0]=4 2536 B15R1.1195 C/C=C/CSc1cnc(c(n1)OC)OC 62a_100102629194_100010132954 [0,2,0,0,0,0|2,0,0]=4 2537 B15R1.1195 C/C=C/CSc1ncc(c(n1)OC)OC 62a_100102629194_100010280452 [0,2,0,0,0,0|2,0,0]=4 2538 B15R1.1195 C=CCCNc1ccc(c(c1)C#N)OC 34a_100011204338_100000754431 [0,2,0,0,0,0|2,0,0]=4 2539 B15R1.1195 C=CCCNc1ccc(c(c1)C#N)OC 7a_100011204338_100000754431 [0,2,0,0,0,0|2,0,0]=4 2540 B15R1.1195 C=CCCNc1ccc(c(c1)OC)C#N 34a_100011999456_100000754431 [0,2,0,0,0,0|2,0,0]=4 2541 B15R1.1195 C=CCCNc1ccc(c(c1)OC)CO 34a_100012183141_100000754431 [0,2,0,0,0,0|2,0,0]=4 2542 B15R1.1195 C=CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000754431 [0,2,0,0,0,0|0,0,0]=2 2543 B15R1.1195 C=CCCOc1ccc(c(c1)OC)CO 34a_200000116926_100000754431 [0,2,0,0,0,0|2,0,0]=4 2544 B15R1.1195 C=CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000754431 [0,2,0,0,0,0|0,0,0]=2 2545 B15R1.1195 C=CCCSc1cc(c(nn1)OC)OC 62a_100000754431_200000095610 [0,2,0,0,0,0|2,0,0]=4 2546 B15R1.1195 C=CCCSc1ccc(c(c1)C#N)OC 62a_100000754431_100000188252 [0,2,0,0,0,0|2,0,0]=4 2547 B15R1.1195 C=CCCSc1ccc(c(c1)C=O)OC 62a_100000170026_100000754431 [0,2,0,0,0,0|2,0,0]=4 2548 B15R1.1195 C=CCCSc1ccc(c(c1)C=O)OC 62a_100000754431_100000170026 [0,2,0,0,0,0|2,0,0]=4 2549 B15R1.1195 C=CCCSc1ccc(c(c1)CC)OC 62a_100000754431_200010179862 [0,2,0,0,0,0|1,0,0]=3 2550 B15R1.1195 C=CCCSc1ccc(c(c1)CC)OC 62a_200010179862_100000754431 [0,2,0,0,0,0|1,0,0]=3 2551 B15R1.1195 C=CCCSc1ccc(c(c1)CN)OC 62a_100000690498_100000754431 [0,2,0,0,0,0|2,0,0]=4 2552 B15R1.1195 C=CCCSc1ccc(c(c1)CN)OC 62a_100000754431_100000690498 [0,2,0,0,0,0|2,0,0]=4 2553 B15R1.1195 C=CCCSc1ccc(c(c1)CO)OC 62a_100000204679_100000754431 [0,2,0,0,0,0|2,0,0]=4 2554 B15R1.1195 C=CCCSc1ccc(c(c1)CO)OC 62a_100000754431_100000204679 [0,2,0,0,0,0|2,0,0]=4 2555 B15R1.1195 C=CCCSc1ccc(c(c1)OC)C#N 62a_100000754431_100000694671 [0,2,0,0,0,0|2,0,0]=4 2556 B15R1.1195 C=CCCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000754431 [0,2,0,0,0,0|2,0,0]=4 2557 B15R1.1195 C=CCCSc1ccc(c(c1)OC)C=O 62a_100000754431_100010290300 [0,2,0,0,0,0|2,0,0]=4 2558 B15R1.1195 C=CCCSc1ccc(c(c1)OC)CC 62a_100000754431_200010710398 [0,2,0,0,0,0|1,0,0]=3 2559 B15R1.1195 C=CCCSc1ccc(c(c1)OC)CC 62a_200010710398_100000754431 [0,2,0,0,0,0|1,0,0]=3 2560 B15R1.1195 C=CCCSc1ccc(c(c1)OC)CO 62a_100000754431_100011277633 [0,2,0,0,0,0|2,0,0]=4 2561 B15R1.1195 C=CCCSc1ccc(c(c1)OC)CO 62a_100011277633_100000754431 [0,2,0,0,0,0|2,0,0]=4 2562 B15R1.1195 C=CCCSc1ccc(c(c1)OC)OC 62a_100000754431_100011356967 [0,2,0,0,0,0|0,0,0]=2 2563 B15R1.1195 C=CCCSc1ccc(c(c1)OC)SC 62a_200011001119_100000754431 [0,2,0,0,0,0|0,1,0]=3 2564 B15R1.1195 C=CCCSc1ccc(c(c1)SC)OC 62a_200009892704_100000754431 [0,2,0,0,0,0|0,1,0]=3 2565 B15R1.1195 C=CCCSc1ccc(c(n1)OC)OC 62a_100000754431_100010214848 [0,2,0,0,0,0|1,0,0]=3 2566 B15R1.1195 C=CCCSc1cnc(c(c1)OC)OC 62a_100000754431_100010234541 [0,2,0,0,0,0|1,0,0]=3 2567 B15R1.1195 C=CCCSc1cnc(c(n1)OC)OC 62a_100000754431_100010132954 [0,2,0,0,0,0|2,0,0]=4 2568 B15R1.1195 C=CCCSc1cnc(c(n1)OC)OC 62a_100010132954_100000754431 [0,2,0,0,0,0|2,0,0]=4 2569 B15R1.1195 C=CCCSc1ncc(c(n1)OC)OC 62a_100000754431_100010280452 [0,2,0,0,0,0|2,0,0]=4 2570 B15R1.1195 C=CCNCc1ccc(c(c1)CO)OC 270004a_100020586998_100011361677 [0,2,0,0,0,0|2,0,0]=4 2571 B15R1.1195 C=CCNCc1ccc(c(c1)OC)C#N 270004a_100020586998_100000726430 [0,2,0,0,0,0|2,0,0]=4 2572 B15R1.1195 C=CCNCc1ccc(c(c1)OC)OC 2230a_100020586998_100011233839 [0,2,0,0,0,0|0,0,0]=2 2573 B15R1.1195 C=CCNCc1ccc(c(c1)OC)OC 270004a_100020586998_100000170513 [0,2,0,0,0,0|0,0,0]=2 2574 B15R1.1195 C=CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100015514636 [0,2,0,0,0,0|0,0,0]=2 2575 B15R1.1195 C=CCNCc1ccc(c(c1)OC)SC 270004a_100020586998_100000050949 [0,2,0,0,0,0|0,1,0]=3 2576 B15R1.1195 C=CCNCc1cnc(c(c1)OC)OC 270004a_100020586998_100000117638 [0,2,0,0,0,0|1,0,0]=3 2577 B15R1.1195 C=CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100015514636 [0,2,0,0,0,0|0,0,0]=2 2578 B15R1.1195 C=CCSCc1ccc(c(c1)OC)OC 62a_100000210623_100011233839 [0,2,0,0,0,0|0,0,0]=2 2579 B15R1.1195 CC#CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000748600 [0,2,0,0,0,0|0,0,2]=4 2580 B15R1.1195 CC#CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000748600 [0,2,0,0,0,0|0,0,2]=4 2581 B15R1.1195 CC#CCSc1ccc(c(c1)OC)OC 62a_100000748600_100011356967 [0,2,0,0,0,0|0,0,2]=4 2582 B15R1.1195 CC=CCNc1ccc(c(c1)C#N)OC 34a_100011204338_100000070051 [0,2,0,0,0,0|2,0,0]=4 2583 B15R1.1195 CC=CCNc1ccc(c(c1)C#N)OC 7a_100011204338_100000070051 [0,2,0,0,0,0|2,0,0]=4 2584 B15R1.1195 CC=CCNc1ccc(c(c1)OC)C#N 34a_100011999456_100000070051 [0,2,0,0,0,0|2,0,0]=4 2585 B15R1.1195 CC=CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000070051 [0,2,0,0,0,0|2,0,0]=4 2586 B15R1.1195 CC=CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000070051 [0,2,0,0,0,0|0,0,0]=2 2587 B15R1.1195 CC=CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000070051 [0,2,0,0,0,0|2,0,0]=4 2588 B15R1.1195 CC=CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000070051 [0,2,0,0,0,0|0,0,0]=2 2589 B15R1.1195 CC=CCSc1cc(c(nn1)OC)OC 62a_100000070051_200000095610 [0,2,0,0,0,0|2,0,0]=4 2590 B15R1.1195 CC=CCSc1ccc(c(c1)C#N)OC 62a_100000070051_100000188252 [0,2,0,0,0,0|2,0,0]=4 2591 B15R1.1195 CC=CCSc1ccc(c(c1)C=O)OC 62a_100000070051_100000170026 [0,2,0,0,0,0|2,0,0]=4 2592 B15R1.1195 CC=CCSc1ccc(c(c1)C=O)OC 62a_100000170026_100000070051 [0,2,0,0,0,0|2,0,0]=4 2593 B15R1.1195 CC=CCSc1ccc(c(c1)CC)OC 62a_100000070051_200010179862 [0,2,0,0,0,0|1,0,0]=3 2594 B15R1.1195 CC=CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000070051 [0,2,0,0,0,0|1,0,0]=3 2595 B15R1.1195 CC=CCSc1ccc(c(c1)CN)OC 62a_100000070051_100000690498 [0,2,0,0,0,0|2,0,0]=4 2596 B15R1.1195 CC=CCSc1ccc(c(c1)CN)OC 62a_100000690498_100000070051 [0,2,0,0,0,0|2,0,0]=4 2597 B15R1.1195 CC=CCSc1ccc(c(c1)CO)OC 62a_100000070051_100000204679 [0,2,0,0,0,0|2,0,0]=4 2598 B15R1.1195 CC=CCSc1ccc(c(c1)CO)OC 62a_100000204679_100000070051 [0,2,0,0,0,0|2,0,0]=4 2599 B15R1.1195 CC=CCSc1ccc(c(c1)OC)C#N 62a_100000070051_100000694671 [0,2,0,0,0,0|2,0,0]=4 2600 B15R1.1195 CC=CCSc1ccc(c(c1)OC)C=O 62a_100000070051_100010290300 [0,2,0,0,0,0|2,0,0]=4 2601 B15R1.1195 CC=CCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000070051 [0,2,0,0,0,0|2,0,0]=4 2602 B15R1.1195 CC=CCSc1ccc(c(c1)OC)CC 62a_100000070051_200010710398 [0,2,0,0,0,0|1,0,0]=3 2603 B15R1.1195 CC=CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000070051 [0,2,0,0,0,0|1,0,0]=3 2604 B15R1.1195 CC=CCSc1ccc(c(c1)OC)CO 62a_100000070051_100011277633 [0,2,0,0,0,0|2,0,0]=4 2605 B15R1.1195 CC=CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000070051 [0,2,0,0,0,0|2,0,0]=4 2606 B15R1.1195 CC=CCSc1ccc(c(c1)OC)OC 62a_100000070051_100011356967 [0,2,0,0,0,0|0,0,0]=2 2607 B15R1.1195 CC=CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000070051 [0,2,0,0,0,0|0,1,0]=3 2608 B15R1.1195 CC=CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000070051 [0,2,0,0,0,0|0,1,0]=3 2609 B15R1.1195 CC=CCSc1ccc(c(n1)OC)OC 62a_100000070051_100010214848 [0,2,0,0,0,0|1,0,0]=3 2610 B15R1.1195 CC=CCSc1cnc(c(c1)OC)OC 62a_100000070051_100010234541 [0,2,0,0,0,0|1,0,0]=3 2611 B15R1.1195 CC=CCSc1cnc(c(n1)OC)OC 62a_100000070051_100010132954 [0,2,0,0,0,0|2,0,0]=4 2612 B15R1.1195 CC=CCSc1cnc(c(n1)OC)OC 62a_100010132954_100000070051 [0,2,0,0,0,0|2,0,0]=4 2613 B15R1.1195 CC=CCSc1ncc(c(n1)OC)OC 62a_100000070051_100010280452 [0,2,0,0,0,0|2,0,0]=4 2614 B15R1.1195 CCC=NNc1ccc(c(c1)OC)OC 4a_100000071703_100000210100 [0,2,0,0,0,0|1,0,1]=4 2615 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)OC 271570a_100016258520_100000187503 [0,2,0,0,0,0|0,0,2]=4 2616 B15R1.1195 CCCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210210 [0,2,0,0,0,0|0,0,2]=4 2617 B15R1.1195 CCCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210210 [0,2,0,0,0,0|0,0,2]=4 2618 B15R1.1195 CCCCSc1ccc(c(c1)OC)OC 62a_100000210211_100011356967 [0,2,0,0,0,0|0,0,2]=4 2619 B15R1.1195 CCCNCc1ccc(c(c1)OC)OC 207a_100020643023_100000170513 [0,2,0,0,0,0|0,0,2]=4 2620 B15R1.1195 CCCNCc1ccc(c(c1)OC)OC 270004a_100020643023_100000170513 [0,2,0,0,0,0|0,0,2]=4 2621 B15R1.1195 CCCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210303 [0,2,0,0,0,0|0,0,2]=4 2622 B15R1.1195 CCCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210303 [0,2,0,0,0,0|0,0,2]=4 2623 B15R1.1195 CCCSCc1ccc(c(c1)OC)OC 62a_100000210303_100011233839 [0,2,0,0,0,0|0,0,2]=4 2624 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 2230a_100000210947_100000210202 [0,2,0,0,0,0|0,0,2]=4 2625 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 2230a_100015525214_100011273988 [0,2,0,0,0,0|0,0,2]=4 2626 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 270004a_100015525214_100011754369 [0,2,0,0,0,0|0,0,2]=4 2627 B15R1.1195 CCNCCc1ccc(c(c1)OC)OC 34a_100000210947_100000210202 [0,2,0,0,0,0|0,0,2]=4 2628 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)OC 271570a_100016256518_100000187503 [0,2,0,0,0,0|0,0,2]=4 2629 B15R1.1195 CCOCCc1ccc(c(c1)OC)OC 34a_100011215274_100000210202 [0,2,0,0,0,0|0,0,2]=4 2630 B15R1.1195 CCOCCc1ccc(c(c1)OC)OC 34a_100121572206_100011273988 [0,2,0,0,0,0|0,0,2]=4 2631 B15R1.1195 CCOCSc1ccc(c(c1)OC)OC 62a_100000739092_100011356967 [0,2,0,0,0,0|0,0,2]=4 2632 B15R1.1195 CCSCCc1ccc(c(c1)OC)OC 62a_100000210202_100011740610 [0,2,0,0,0,0|0,0,2]=4 2633 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 2230a_100000745738_200000210301 [0,2,0,0,0,0|0,0,2]=4 2634 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 2230a_106832991635_200012094798 [0,2,0,0,0,0|0,0,2]=4 2635 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 34a_100000745738_200000210301 [0,2,0,0,0,0|0,0,2]=4 2636 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 34a_100102657272_200012094798 [0,2,0,0,0,0|0,0,2]=4 2637 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC 7a_106832991635_200012094798 [0,2,0,0,0,0|0,0,2]=4 2638 B15R1.1195 COCC=Cc1ccc(c(c1)OC)OC 271570a_100016286323_100000187503 [0,2,0,0,0,0|0,0,2]=4 2639 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 34a_100011219617_200000210301 [0,2,0,0,0,0|0,0,2]=4 2640 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 34a_100138415774_200012094798 [0,2,0,0,0,0|0,0,2]=4 2641 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 7a_100011219617_200000210301 [0,2,0,0,0,0|0,0,2]=4 2642 B15R1.1195 COCCNc1ccc(c(c1)OC)OC 34a_100000187404_100011201679 [0,2,0,0,0,0|0,0,2]=4 2643 B15R1.1195 COCCOc1ccc(c(c1)OC)OC 34a_100000039706_100011201679 [0,2,0,0,0,0|0,0,2]=4 2644 B15R1.1195 COCCSc1ccc(c(c1)OC)OC 62a_100000233755_100011356967 [0,2,0,0,0,0|0,0,2]=4 2645 B15R1.1195 COCSCc1ccc(c(c1)OC)OC 62a_100000766300_100011233839 [0,2,0,0,0,0|0,0,2]=4 2646 B15R1.1195 COc1ccc(cc1OC)CCCN[13CH3] 2230a_100000745738_200025704644 [0,2,0,0,0,0|0,0,2]=4 2647 B15R1.1195 COc1ccc(cc1OC)CCCN[13CH3] 34a_100000745738_200025704644 [0,2,0,0,0,0|0,0,2]=4 2648 B15R1.1195 COc1ccc(cc1OC)CCCO[13CH3] 34a_100011219617_200025704644 [0,2,0,0,0,0|0,0,2]=4 2649 B15R1.1195 COc1ccc(cc1OC)CCCO[13CH3] 7a_100011219617_200025704644 [0,2,0,0,0,0|0,0,2]=4 2650 B15R1.1195 COc1ccc(cc1OC)CCCSC 62a_200000210301_200012094798 [0,2,0,0,0,0|0,0,2]=4 2651 B15R1.1195 COc1ccc(cc1OC)CCCSC 62a_200012094798_200000210301 [0,2,0,0,0,0|0,0,2]=4 2652 B15R1.1195 COc1ccc(cc1OC)CCCS[13CH3] 62a_200012094798_200025704644 [0,2,0,0,0,0|0,0,2]=4 2653 B15R1.1195 COc1ccc(cc1OC)CCCS[13CH3] 62a_200025704644_200012094798 [0,2,0,0,0,0|0,0,2]=4 2654 B15R1.1195 COc1ccc(cc1OC)CCNCF 34a_100000210947_100015361967 [0,2,0,0,0,0|0,0,2]=4 2655 B15R1.1195 COc1ccc(cc1OC)CCOCF 34a_100011215274_100015361967 [0,2,0,0,0,0|0,0,2]=4 2656 B15R1.1195 COc1ccc(cc1OC)CCSCF 62a_100015361967_100011740610 [0,2,0,0,0,0|0,0,2]=4 2657 B15R1.1195 COc1ccc(cc1OC)CNCC=O 34a_100000185555_200009817547 [0,2,0,0,0,0|0,0,1]=3 2658 B15R1.1195 COc1ccc(cc1OC)CNCCF 34a_100000185555_100011217306 [0,2,0,0,0,0|0,0,2]=4 2659 B15R1.1195 COc1ccc(cc1OC)CNCCO 207a_100000210304_100000170513 [0,2,0,0,0,0|0,0,2]=4 2660 B15R1.1195 COc1ccc(cc1OC)CNCCO 2230a_100016997473_100011233839 [0,2,0,0,0,0|0,0,2]=4 2661 B15R1.1195 COc1ccc(cc1OC)CNCCO 270004a_100000210304_100000170513 [0,2,0,0,0,0|0,0,2]=4 2662 B15R1.1195 COc1ccc(cc1OC)CNCCO 34a_100000185555_100000211926 [0,2,0,0,0,0|0,0,2]=4 2663 B15R1.1195 COc1ccc(cc1OC)CNCSC 34a_100000185555_100011218213 [0,2,0,0,0,0|0,0,2]=4 2664 B15R1.1195 COc1ccc(cc1OC)COCC=O 34a_100000210929_200009817547 [0,2,0,0,0,0|0,0,1]=3 2665 B15R1.1195 COc1ccc(cc1OC)COCCF 34a_100000210929_100011217306 [0,2,0,0,0,0|0,0,2]=4 2666 B15R1.1195 COc1ccc(cc1OC)COCCO 34a_100000210929_100000211926 [0,2,0,0,0,0|0,0,2]=4 2667 B15R1.1195 COc1ccc(cc1OC)COCSC 34a_100000210929_100011218213 [0,2,0,0,0,0|0,0,2]=4 2668 B15R1.1195 COc1ccc(cc1OC)CSCC#N 62a_100011215382_100011233839 [0,2,0,0,0,0|0,0,2]=4 2669 B15R1.1195 COc1ccc(cc1OC)CSCC=O 62a_200015260668_100011233839 [0,2,0,0,0,0|0,0,1]=3 2670 B15R1.1195 COc1ccc(cc1OC)CSCCF 62a_100011217306_100011233839 [0,2,0,0,0,0|0,0,2]=4 2671 B15R1.1195 COc1ccc(cc1OC)CSCCO 62a_100000211926_100011233839 [0,2,0,0,0,0|0,0,2]=4 2672 B15R1.1195 COc1ccc(cc1OC)CSCSC 62a_100011218213_100011233839 [0,2,0,0,0,0|0,0,2]=4 2673 B15R1.1195 COc1ccc(cc1OC)NCCCF 34a_100000187404_100011934791 [0,2,0,0,0,0|0,0,2]=4 2674 B15R1.1195 COc1ccc(cc1OC)NCCCO 34a_100000187404_100000230001 [0,2,0,0,0,0|0,0,2]=4 2675 B15R1.1195 COc1ccc(cc1OC)NCCSC 34a_100000187404_100000212216 [0,2,0,0,0,0|0,0,2]=4 2676 B15R1.1195 COc1ccc(cc1OC)OCCCF 34a_100000039706_100011934791 [0,2,0,0,0,0|0,0,2]=4 2677 B15R1.1195 COc1ccc(cc1OC)OCCCO 34a_100000039706_100000230001 [0,2,0,0,0,0|0,0,2]=4 2678 B15R1.1195 COc1ccc(cc1OC)OCCSC 34a_100000039706_100000212216 [0,2,0,0,0,0|0,0,2]=4 2679 B15R1.1195 COc1ccc(cc1OC)SCCC#N 62a_100011215226_100011356967 [0,2,0,0,0,0|0,0,2]=4 2680 B15R1.1195 COc1ccc(cc1OC)SCCCF 62a_100011934791_100011356967 [0,2,0,0,0,0|0,0,2]=4 2681 B15R1.1195 COc1ccc(cc1OC)SCCCO 62a_100011215043_100011356967 [0,2,0,0,0,0|0,0,2]=4 2682 B15R1.1195 COc1ccc(cc1OC)SCCSC 62a_100000212216_100011356967 [0,2,0,0,0,0|0,0,2]=4 2683 B15R1.1195 COc1ccc(cc1OC)SCSC#N 62a_100000211825_100011356967 [0,2,0,0,0,0|1,0,1]=4 2684 B15R1.3769 C#CC(C)Nc1ccc(c(c1)OC)OC 34a_100000187404_200000035995 [0,2,0,0,0,0|0,0,2]=4 2685 B15R1.3769 C#CC(C)Oc1ccc(c(c1)OC)OC 34a_100000039706_200000035995 [0,2,0,0,0,0|0,0,2]=4 2686 B15R1.3769 C#CC(C)Sc1ccc(c(c1)OC)OC 62a_200000035995_100011356967 [0,2,0,0,0,0|0,0,2]=4 2687 B15R1.3769 C=CC(=O)Nc1ccc(c(c1)OC)OC 1626a_100000187404_100000185746 [0,2,0,0,0,0|0,0,1]=3 2688 B15R1.3769 C=CC(=O)Nc1ccc(c(c1)OC)OC 22a_100000187404_100000185746 [0,2,0,0,0,0|0,0,1]=3 2689 B15R1.3769 C=CC(C)Sc1cc(c(nn1)OC)OC 62a_100011215867_200000095610 [0,2,0,0,0,0|2,0,0]=4 2690 B15R1.3769 C=CC(C)Sc1ccc(c(c1)C#N)OC 62a_100011215867_100000188252 [0,2,0,0,0,0|2,0,0]=4 2691 B15R1.3769 C=CC(C)Sc1ccc(c(c1)C=O)OC 62a_100011215867_100000170026 [0,2,0,0,0,0|2,0,0]=4 2692 B15R1.3769 C=CC(C)Sc1ccc(c(c1)CC)OC 62a_100011215867_200010179862 [0,2,0,0,0,0|1,0,0]=3 2693 B15R1.3769 C=CC(C)Sc1ccc(c(c1)CN)OC 62a_100011215867_100000690498 [0,2,0,0,0,0|2,0,0]=4 2694 B15R1.3769 C=CC(C)Sc1ccc(c(c1)CO)OC 62a_100011215867_100000204679 [0,2,0,0,0,0|2,0,0]=4 2695 B15R1.3769 C=CC(C)Sc1ccc(c(c1)OC)C#N 62a_100011215867_100000694671 [0,2,0,0,0,0|2,0,0]=4 2696 B15R1.3769 C=CC(C)Sc1ccc(c(c1)OC)C=O 62a_100011215867_100010290300 [0,2,0,0,0,0|2,0,0]=4 2697 B15R1.3769 C=CC(C)Sc1ccc(c(c1)OC)CC 62a_100011215867_200010710398 [0,2,0,0,0,0|1,0,0]=3 2698 B15R1.3769 C=CC(C)Sc1ccc(c(c1)OC)CO 62a_100011215867_100011277633 [0,2,0,0,0,0|2,0,0]=4 2699 B15R1.3769 C=CC(C)Sc1ccc(c(c1)OC)OC 62a_100011215867_100011356967 [0,2,0,0,0,0|0,0,0]=2 2700 B15R1.3769 C=CC(C)Sc1ccc(c(n1)OC)OC 62a_100011215867_100010214848 [0,2,0,0,0,0|1,0,0]=3 2701 B15R1.3769 C=CC(C)Sc1cnc(c(c1)OC)OC 62a_100011215867_100010234541 [0,2,0,0,0,0|1,0,0]=3 2702 B15R1.3769 C=CC(C)Sc1cnc(c(n1)OC)OC 62a_100011215867_100010132954 [0,2,0,0,0,0|2,0,0]=4 2703 B15R1.3769 C=CC(C)Sc1ncc(c(n1)OC)OC 62a_100011215867_100010280452 [0,2,0,0,0,0|2,0,0]=4 2704 B15R1.3769 CCC(=O)Cc1ccc(c(c1)OC)OC 1458a_100000184093_100000210202 [0,2,0,0,0,0|0,0,1]=3 2705 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 11a_100000187404_100000210414 [0,2,0,0,0,0|1,0,1]=4 2706 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 1626a_100000187404_100000210414 [0,2,0,0,0,0|1,0,1]=4 2707 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 22a_100000187404_100000210414 [0,2,0,0,0,0|1,0,1]=4 2708 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 527a_100000187404_100000210414 [0,2,0,0,0,0|1,0,1]=4 2709 B15R1.3769 CCC(C)Nc1ccc(c(c1)OC)OC 34a_100000187404_100011215416 [0,2,0,0,0,0|0,0,2]=4 2710 B15R1.3769 CCC(C)Oc1ccc(c(c1)OC)OC 34a_100000039706_100011215416 [0,2,0,0,0,0|0,0,2]=4 2711 B15R1.3769 CCC(C)Sc1ccc(c(c1)OC)OC 62a_100000758301_100011356967 [0,2,0,0,0,0|0,0,2]=4 2712 B15R1.3769 CCN(C)Cc1ccc(c(c1)OC)OC 2230a_100000180827_100000210202 [0,2,0,0,0,0|0,0,2]=4 2713 B15R1.3769 CCN(C)Cc1ccc(c(c1)OC)OC 2230a_100000225621_100011233839 [0,2,0,0,0,0|0,0,2]=4 2714 B15R1.3769 CCN(C)Cc1ccc(c(c1)OC)OC 269982a_100000180827_100000204670 [0,2,0,0,0,0|0,0,2]=4 2715 B15R1.3769 CCN(C)Cc1ccc(c(c1)OC)OC 269982a_100000225621_100011233839 [0,2,0,0,0,0|0,0,2]=4 2716 B15R1.3769 CNC(=O)Cc1ccc(c(c1)OC)OC 11a_106832991635_100000184093 [0,2,0,0,0,0|0,0,1]=3 2717 B15R1.3769 CNC(=O)Cc1ccc(c(c1)OC)OC 240690a_100102657272_100000184093 [0,2,0,0,0,0|0,0,1]=3 2718 B15R1.3769 CNC(=O)Cc1ccc(c(c1)OC)OC 527a_100102657272_100000184093 [0,2,0,0,0,0|0,0,1]=3 2719 B15R1.3769 CNC(=O)Nc1ccc(c(c1)OC)OC 2430a_100000187404_100102657272 [0,2,0,0,0,0|1,0,1]=4 2720 B15R1.3769 CNC(C)Cc1ccc(c(c1)OC)OC 270004a_106832991635_100000211454 [0,2,0,0,0,0|0,0,2]=4 2721 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)OC 34a_100000074908_200000210301 [0,2,0,0,0,0|0,0,1]=3 2722 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)OC 34a_100009869222_200000210301 [0,2,0,0,0,0|0,0,1]=3 2723 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)O[13CH3] 34a_100000074908_200025704644 [0,2,0,0,0,0|0,0,1]=3 2724 B15R1.3769 COC(=O)Cc1ccc(c(c1)O[13CH3])OC 34a_100009869222_200025704644 [0,2,0,0,0,0|0,0,1]=3 2725 B15R1.3769 COC(=O)Cc1ccc(c(c1)SC)OC 62a_200000210301_200012357789 [0,2,0,0,0,0|0,1,1]=4 2726 B15R1.3769 COC(=O)Cc1ccc(c(c1)SC)OC 62a_200012357789_200000210301 [0,2,0,0,0,0|0,1,1]=4 2727 B15R1.3769 COC(=O)Cc1ccc(c(c1)S[13CH3])OC 62a_200012357789_200025704644 [0,2,0,0,0,0|0,1,1]=4 2728 B15R1.3769 COC(=O)Cc1ccc(c(c1)S[13CH3])OC 62a_200025704644_200012357789 [0,2,0,0,0,0|0,1,1]=4 2729 B15R1.3769 COc1ccc(cc1OC)CC(=O)CF 1458a_100000184093_100015361967 [0,2,0,0,0,0|0,0,1]=3 2730 B15R1.3769 COc1ccc(cc1OC)CC(C)OC 34a_100011303635_200000210301 [0,2,0,0,0,0|0,0,2]=4 2731 B15R1.3769 COc1ccc(cc1OC)CC(C)OC 7a_100011303635_200000210301 [0,2,0,0,0,0|0,0,2]=4 2732 B15R1.3769 COc1ccc(cc1OC)CC(C)O[13CH3] 34a_100011303635_200025704644 [0,2,0,0,0,0|0,0,2]=4 2733 B15R1.3769 COc1ccc(cc1OC)CC(C)O[13CH3] 7a_100011303635_200025704644 [0,2,0,0,0,0|0,0,2]=4 2734 B15R1.3769 COc1ccc(cc1OC)CN(C)CF 269982a_100000180827_100015361967 [0,2,0,0,0,0|1,0,1]=4 2735 B15R1.3769 COc1ccc(cc1OC)NC(=O)CO 22a_100000187404_100000210174 [0,2,0,0,0,0|1,0,1]=4 2736 B15R1.3769 COc1ccc(cc1OC)NC(=O)CO 527a_100000187404_100000210174 [0,2,0,0,0,0|1,0,1]=4 2737 B15R1.3769 COc1ccc(cc1OC)NC(C)CO 34a_100000187404_100012180447 [0,2,0,0,0,0|1,0,1]=4 2738 B15R1.3769 COc1ccc(cc1OC)OC(C)CO 34a_100000039706_100012180447 [0,2,0,0,0,0|1,0,1]=4 2739 B15R1.3769 COc1ccc(cc1OC)SC(C)C#N 62a_100000703298_100011356967 [0,2,0,0,0,0|1,0,1]=4 2740 B15R1.3769 COc1ccc(cc1OC)SC(C)CO 62a_100012180447_100011356967 [0,2,0,0,0,0|1,0,1]=4 2741 B15R1.3769 COc1ccc(cc1OC)SC(C)OC 62a_100009879195_100011356967 [0,2,0,0,0,0|1,0,1]=4 2742 B15R1.3769 COc1ccc(cc1OC)SC(F)C#N 62a_200000117898_100011356967 [0,2,0,0,0,0|1,0,1]=4 2743 B15R1.3769 COc1ccc(cc1OC)S[C@H](C)CO 62a_100016084084_100011356967 [0,2,0,0,0,0|1,0,1]=4 2744 B15R1.5537 C=CCSc1cc(c(c(c1)OC)C#N)F 62a_100000210623_100000697026 [0,2,0,0,0,0|2,0,0]=4 2745 B15R1.5537 C=CCSc1cc(c(c(c1)OC)C=O)F 62a_100010363811_100000210623 [0,2,0,0,0,0|2,0,0]=4 2746 B15R1.5537 CCNCc1cc(c(c(c1)OC)OC)Br 207a_100015525214_100000183470 [0,2,0,0,0,0|0,0,2]=4 2747 B15R1.5537 CCNCc1cc(c(c(c1)OC)OC)Br 270004a_100015525214_100000183470 [0,2,0,0,0,0|0,0,2]=4 2748 B15R1.5537 CCNCc1cc(c(c(c1)OC)OC)Br 34a_100000748475_100000210202 [0,2,0,0,0,0|0,0,2]=4 2749 B15R1.5537 CCNCc1cc(c(c(c1)OC)OC)Cl 207a_100015525214_100000184546 [0,2,0,0,0,0|0,0,2]=4 2750 B15R1.5537 CCNCc1cc(c(c(c1)OC)OC)Cl 270004a_100015525214_100000184546 [0,2,0,0,0,0|0,0,2]=4 2751 B15R1.5537 CCNCc1cc(c(c(c1)OC)OC)I 207a_100015525214_100000188315 [0,2,0,0,0,0|0,0,2]=4 2752 B15R1.5537 CCNCc1cc(c(c(c1)OC)OC)I 270004a_100015525214_100000188315 [0,2,0,0,0,0|0,0,2]=4 2753 B15R1.5537 CCOCc1cc(c(c(c1)OC)OC)Br 34a_200000215730_100000210202 [0,2,0,0,0,0|0,0,2]=4 2754 B15R1.5537 COc1cc(cc(c1OC)Br)CNCF 34a_100000748475_100015361967 [0,2,0,0,0,0|1,0,1]=4 2755 B15R1.5537 COc1cc(cc(c1OC)Br)COCF 34a_200000215730_100015361967 [0,2,0,0,0,0|1,0,1]=4 2756 B15R1.12139 C#CCSc1ccc(c(c1)COC)OC 62a_100000038162_200011493686 [0,2,0,0,0,0|0,0,2]=4 2757 B15R1.12139 C=CCNc1ncc(c(n1)OCC)OC 27a_100020586998_200010280453 [0,2,0,0,0,0|2,0,0]=4 2758 B15R1.12139 C=CCSc1ccc(c(c1)CC#N)OC 62a_100000210623_200011218486 [0,2,0,0,0,0|1,0,1]=4 2759 B15R1.12139 C=CCSc1ccc(c(c1)CC#N)OC 62a_200011218486_100000210623 [0,2,0,0,0,0|1,0,1]=4 2760 B15R1.12139 C=CCSc1ccc(c(c1)CCN)OC 62a_100000210623_100000763266 [0,2,0,0,0,0|1,0,0]=3 2761 B15R1.12139 C=CCSc1ccc(c(c1)CCN)OC 62a_100000763266_100000210623 [0,2,0,0,0,0|1,0,0]=3 2762 B15R1.12139 C=CCSc1ccc(c(c1)CNC)OC 62a_100000210623_100000690607 [0,2,0,0,0,0|1,0,0]=3 2763 B15R1.12139 C=CCSc1ccc(c(c1)CNC)OC 62a_100000690607_100000210623 [0,2,0,0,0,0|1,0,0]=3 2764 B15R1.12139 C=CCSc1ccc(c(c1)COC)OC 62a_100000210623_200011493686 [0,2,0,0,0,0|0,0,0]=2 2765 B15R1.12139 C=CCSc1ccc(c(c1)COC)OC 62a_200011493686_100000210623 [0,2,0,0,0,0|0,0,0]=2 2766 B15R1.12139 C=CCSc1ccc(c(c1)OCC)C#N 62a_100000210623_100013120067 [0,2,0,0,0,0|2,0,0]=4 2767 B15R1.12139 C=CCSc1ncc(c(n1)OCC)OC 62a_100000210623_200010280453 [0,2,0,0,0,0|2,0,0]=4 2768 B15R1.12139 CCCCc1ccc(c(c1)COC)OC 271570a_100020621405_200011493686 [0,2,0,0,0,0|0,0,2]=4 2769 B15R1.12139 CCCCc1ccc(c(c1)OCC)OC 271570a_100020621405_200010219349 [0,2,0,0,0,0|0,0,2]=4 2770 B15R1.12139 CCCSc1ccc(c(c1)COC)OC 62a_100000210303_200011493686 [0,2,0,0,0,0|0,0,2]=4 2771 B15R1.12139 CCCSc1ccc(c(c1)COC)OC 62a_200011493686_100000210303 [0,2,0,0,0,0|0,0,2]=4 2772 B15R1.12139 CCNCc1ccc(c(c1)COC)OC 207a_100015525214_100000708483 [0,2,0,0,0,0|0,0,2]=4 2773 B15R1.12139 CCNCc1ccc(c(c1)COC)OC 270004a_100015525214_100000708483 [0,2,0,0,0,0|0,0,2]=4 2774 B15R1.12139 CCNCc1ccc(c(c1)OCC)OC 207a_100015525214_100000170514 [0,2,0,0,0,0|0,0,2]=4 2775 B15R1.12139 CCNCc1ccc(c(c1)OCC)OC 2230a_100000755831_100000210202 [0,2,0,0,0,0|0,0,2]=4 2776 B15R1.12139 CCNCc1ccc(c(c1)OCC)OC 270004a_100015525214_100000170514 [0,2,0,0,0,0|0,0,2]=4 2777 B15R1.12139 CCNCc1ccc(c(c1)OCC)OC 34a_100000755831_100000210202 [0,2,0,0,0,0|0,0,2]=4 2778 B15R1.12139 CCOc1cc(ccc1OC)/C=C/CO 34a_100102524974_100000210202 [0,2,0,0,0,0|0,0,2]=4 2779 B15R1.12139 CCOc1cc(ccc1OC)CCNC 2230a_103437797692_200000210301 [0,2,0,0,0,0|0,0,2]=4 2780 B15R1.12139 CCOc1cc(ccc1OC)CCNC 34a_103437797692_200000210301 [0,2,0,0,0,0|0,0,2]=4 2781 B15R1.12139 CCOc1cc(ccc1OC)CCN[13CH3] 2230a_103437797692_200025704644 [0,2,0,0,0,0|0,0,2]=4 2782 B15R1.12139 CCOc1cc(ccc1OC)CCN[13CH3] 34a_103437797692_200025704644 [0,2,0,0,0,0|0,0,2]=4 2783 B15R1.12139 CCOc1cc(ccc1OC)CNCF 34a_100000755831_100015361967 [0,2,0,0,0,0|1,0,1]=4 2784 B15R1.12139 CNCc1cc(ccc1OC)SCC=O 62a_100000690607_200015260668 [0,2,0,0,0,0|2,0,0]=4 2785 B15R1.12139 CNCc1cc(ccc1OC)SCC=O 62a_200015260668_100000690607 [0,2,0,0,0,0|2,0,0]=4 2786 B15R1.12139 COCSc1ccc(c(c1)COC)OC 62a_100000766300_200011493686 [0,2,0,0,0,0|1,0,1]=4 2787 B15R1.12139 COCSc1ccc(c(c1)COC)OC 62a_200011493686_100000766300 [0,2,0,0,0,0|1,0,1]=4 2788 B15R1.12139 COCc1cc(ccc1OC)SCC#N 62a_100011215382_200011493686 [0,2,0,0,0,0|1,0,1]=4 2789 B15R1.12139 COCc1cc(ccc1OC)SCC#N 62a_200011493686_100011215382 [0,2,0,0,0,0|1,0,1]=4 2790 B15R1.12139 COCc1cc(ccc1OC)SCC=O 62a_200011493686_200015260668 [0,2,0,0,0,0|1,0,0]=3 2791 B15R1.12139 COCc1cc(ccc1OC)SCC=O 62a_200015260668_200011493686 [0,2,0,0,0,0|1,0,0]=3 2792 B15R1.12139 COCc1cc(ccc1OC)SCCF 62a_100011217306_200011493686 [0,2,0,0,0,0|1,0,1]=4 2793 B15R1.12139 COCc1cc(ccc1OC)SCCF 62a_200011493686_100011217306 [0,2,0,0,0,0|1,0,1]=4 2794 B15R1.12139 COCc1cc(ccc1OC)SCCO 62a_100000211926_200011493686 [0,2,0,0,0,0|1,0,1]=4 2795 B15R1.12139 COCc1cc(ccc1OC)SCCO 62a_200011493686_100000211926 [0,2,0,0,0,0|1,0,1]=4 2796 B15R1.12139 COCc1cc(ccc1OC)SCSC 62a_100011218213_200011493686 [0,2,0,0,0,0|1,0,1]=4 2797 B15R1.12139 COCc1cc(ccc1OC)SCSC 62a_200011493686_100011218213 [0,2,0,0,0,0|1,0,1]=4 2798 B15R1.12139 COc1ccc(cc1CCN)SCC=O 62a_100000763266_200015260668 [0,2,0,0,0,0|2,0,0]=4 2799 B15R1.12139 COc1ccc(cc1CCN)SCC=O 62a_200015260668_100000763266 [0,2,0,0,0,0|2,0,0]=4 2800 B15R1.12139 COc1ccc(cc1OCF)/C=C/CO 34a_100102524974_100015361967 [0,2,0,0,0,0|0,0,2]=4 2801 B15R1.12140 C#CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000038162 [0,2,0,0,0,0|0,0,2]=4 2802 B15R1.12140 C#CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000184674 [0,2,0,0,0,0|0,0,2]=4 2803 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210623 [0,2,0,0,0,0|0,0,0]=2 2804 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100015514636 [0,2,0,0,0,0|0,0,0]=2 2805 B15R1.12140 C=CCSc1ccc(c(c1)C#N)OCC 62a_100000210623_100000188824 [0,2,0,0,0,0|2,0,0]=4 2806 B15R1.12140 C=CCSc1ccc(c(c1)C=O)OCC 62a_100000170027_100000210623 [0,2,0,0,0,0|2,0,0]=4 2807 B15R1.12140 C=CCSc1ccc(c(c1)CC)OCC 62a_100000210623_200010070707 [0,2,0,0,0,0|1,0,0]=3 2808 B15R1.12140 C=CCSc1ccc(c(c1)CC)OCC 62a_200010070707_100000210623 [0,2,0,0,0,0|1,0,0]=3 2809 B15R1.12140 C=CCSc1ccc(c(c1)OC)CC#N 62a_100000210623_100010245117 [0,2,0,0,0,0|1,0,1]=4 2810 B15R1.12140 C=CCSc1ccc(c(c1)OC)CC#N 62a_100010245117_100000210623 [0,2,0,0,0,0|1,0,1]=4 2811 B15R1.12140 C=CCSc1cnc(c(c1)OC)OCC 62a_100000210623_200010116856 [0,2,0,0,0,0|1,0,0]=3 2812 B15R1.12140 CCCCc1ccc(c(c1)OC)OCC 271570a_100020621405_200012344064 [0,2,0,0,0,0|0,0,2]=4 2813 B15R1.12140 CCCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210303 [0,2,0,0,0,0|0,0,2]=4 2814 B15R1.12140 CCCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000210303 [0,2,0,0,0,0|0,0,2]=4 2815 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 207a_100015525214_100000169853 [0,2,0,0,0,0|0,0,2]=4 2816 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 2230a_200000739100_100000210202 [0,2,0,0,0,0|0,0,2]=4 2817 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 270004a_100015525214_100000169853 [0,2,0,0,0,0|0,0,2]=4 2818 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 34a_200000739100_100000210202 [0,2,0,0,0,0|0,0,2]=4 2819 B15R1.12140 CCOCc1ccc(c(c1)OC)OCC 34a_100000083705_100000210202 [0,2,0,0,0,0|0,0,2]=4 2820 B15R1.12140 CCOCc1ccc(c(c1)OC)OCC 34a_100000184821_100000210202 [0,2,0,0,0,0|0,0,2]=4 2821 B15R1.12140 CCOCc1ccc(c(c1)OC)OCC 7a_100000083705_100000210202 [0,2,0,0,0,0|0,0,2]=4 2822 B15R1.12140 CCOCc1ccc(c(c1)OC)OCF 34a_100000083705_100015361967 [0,2,0,0,0,0|0,0,2]=4 2823 B15R1.12140 CCOCc1ccc(c(c1)OC)OCF 7a_100000083705_100015361967 [0,2,0,0,0,0|0,0,2]=4 2824 B15R1.12140 CCOc1ccc(cc1CC)SCC=O 62a_200010070707_200015260668 [0,2,0,0,0,0|2,0,0]=4 2825 B15R1.12140 CCOc1ccc(cc1CC)SCC=O 62a_200015260668_200010070707 [0,2,0,0,0,0|2,0,0]=4 2826 B15R1.12140 CCOc1ccc(cc1OC)/C=C\CO 34a_100016294963_100000210202 [0,2,0,0,0,0|0,0,2]=4 2827 B15R1.12140 CCOc1ccc(cc1OC)CCCO 34a_100000060467_100000210202 [0,2,0,0,0,0|0,0,2]=4 2828 B15R1.12140 CCOc1ccc(cc1OC)CCCO 7a_100000060467_100000210202 [0,2,0,0,0,0|0,0,2]=4 2829 B15R1.12140 CCOc1ccc(cc1OC)CCNC 2230a_100011371731_200000210301 [0,2,0,0,0,0|0,0,2]=4 2830 B15R1.12140 CCOc1ccc(cc1OC)CCNC 34a_100011371731_200000210301 [0,2,0,0,0,0|0,0,2]=4 2831 B15R1.12140 CCOc1ccc(cc1OC)CCN[13CH3] 2230a_100011371731_200025704644 [0,2,0,0,0,0|0,0,2]=4 2832 B15R1.12140 CCOc1ccc(cc1OC)CCN[13CH3] 34a_100011371731_200025704644 [0,2,0,0,0,0|0,0,2]=4 2833 B15R1.12140 CCOc1ccc(cc1OC)CNCF 34a_200000739100_100015361967 [0,2,0,0,0,0|1,0,1]=4 2834 B15R1.12140 CCOc1ccc(cc1OC)COCF 34a_100000184821_100015361967 [0,2,0,0,0,0|1,0,1]=4 2835 B15R1.12140 CCOc1ccc(cc1OC)NCC#N 2230a_100000184985_100011215382 [0,2,0,0,0,0|1,0,1]=4 2836 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 2230a_100000184985_200015260668 [0,2,0,0,0,0|1,0,0]=3 2837 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 34a_100000184985_200009817547 [0,2,0,0,0,0|1,0,0]=3 2838 B15R1.12140 CCOc1ccc(cc1OC)NCCF 2230a_100000184985_100011217306 [0,2,0,0,0,0|1,0,1]=4 2839 B15R1.12140 CCOc1ccc(cc1OC)NCCF 34a_100000184985_100011217306 [0,2,0,0,0,0|1,0,1]=4 2840 B15R1.12140 CCOc1ccc(cc1OC)NCCO 2230a_100000184985_100000211926 [0,2,0,0,0,0|1,0,1]=4 2841 B15R1.12140 CCOc1ccc(cc1OC)NCCO 34a_100000184985_100000211926 [0,2,0,0,0,0|1,0,1]=4 2842 B15R1.12140 CCOc1ccc(cc1OC)NCOC 2230a_100000184985_100000766300 [0,2,0,0,0,0|1,0,1]=4 2843 B15R1.12140 CCOc1ccc(cc1OC)NCSC 2230a_100000184985_100011218213 [0,2,0,0,0,0|1,0,1]=4 2844 B15R1.12140 CCOc1ccc(cc1OC)NCSC 34a_100000184985_100011218213 [0,2,0,0,0,0|1,0,1]=4 2845 B15R1.12140 CCOc1ncc(cc1OC)SCC=O 62a_200015260668_200010116856 [0,2,0,0,0,0|2,0,0]=4 2846 B15R1.12140 COc1cc(ccc1OCF)/C=C\CO 34a_100016294963_100015361967 [0,2,0,0,0,0|0,0,2]=4 2847 B15R1.12140 COc1cc(ccc1OCF)CCCO 34a_100000060467_100015361967 [0,2,0,0,0,0|0,0,2]=4 2848 B15R1.12140 COc1cc(ccc1OCF)CCCO 7a_100000060467_100015361967 [0,2,0,0,0,0|0,0,2]=4 2849 B15R1.12146 C=CCNc1ccc(c(c1)C(=O)N)OC 34a_200011413973_100015514636 [0,2,0,0,0,0|2,0,0]=4 2850 B15R1.12146 C=CCNc1ccc(c(c1)C(=O)N)OC 7a_200011413973_100015514636 [0,2,0,0,0,0|2,0,0]=4 2851 B15R1.12146 C=CCNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_100000210623 [0,2,0,0,0,0|1,0,0]=3 2852 B15R1.12146 C=CCNc1ccc(c(c1)C(C)C)OC 34a_100025764739_100015514636 [0,2,0,0,0,0|1,0,0]=3 2853 B15R1.12146 C=CCNc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000042093_100015514636 [0,2,0,0,0,0|2,0,0]=4 2854 B15R1.12146 C=CCOc1ccc(c(c1)C(=O)C)OC 34a_100000081070_100015514636 [0,2,0,0,0,0|1,0,0]=3 2855 B15R1.12146 C=CCOc1ccc(c(c1)C(=O)C)OC 7a_100000081070_100015514636 [0,2,0,0,0,0|1,0,0]=3 2856 B15R1.12146 C=CCOc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000716441_100015514636 [0,2,0,0,0,0|2,0,0]=4 2857 B15R1.12146 C=CCOc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000716441_100015514636 [0,2,0,0,0,0|2,0,0]=4 2858 B15R1.12146 C=CCSc1ccc(c(c1)B(O)O)OC 62a_100009813459_100000210623 [0,2,0,0,0,0|2,0,0]=4 2859 B15R1.12146 C=CCSc1ccc(c(c1)C(=O)C)OC 62a_100000173343_100000210623 [0,2,0,0,0,0|1,0,0]=3 2860 B15R1.12146 C=CCSc1ccc(c(c1)C(F)F)OC 62a_100000210623_100010146105 [0,2,0,0,0,0|2,0,0]=4 2861 B15R1.12146 C=CCSc1ccc(c(c1)C(F)F)OC 62a_100010146105_100000210623 [0,2,0,0,0,0|2,0,0]=4 2862 B15R1.12146 C=CCSc1cnc(c(c1)C(=O)C)OC 62a_100000210623_100010135678 [0,2,0,0,0,0|2,0,0]=4 2863 B15R1.12146 C=CCSc1cnc(c(c1)C(=O)C)OC 62a_100010135678_100000210623 [0,2,0,0,0,0|2,0,0]=4 2864 B15R1.12146 COc1ccc(cc1C(=O)C)OCC=O 34a_100000081070_200009817547 [0,2,0,0,0,0|2,0,0]=4 2865 B15R1.12146 COc1ccc(cc1C(=O)C)OCC=O 7a_100000081070_200015260668 [0,2,0,0,0,0|2,0,0]=4 2866 B15R1.12146 COc1ccc(cc1C(=O)C)SCC=O 62a_100000173343_200015260668 [0,2,0,0,0,0|2,0,0]=4 2867 B15R1.12146 COc1ccc(cc1C(C)C)NCC=O 2230a_100025764739_200015260668 [0,2,0,0,0,0|2,0,0]=4 2868 B15R1.12146 COc1ccc(cc1C(C)C)NCC=O 34a_100025764739_200009817547 [0,2,0,0,0,0|2,0,0]=4 2869 B15R1.12854 C=C(C)CNc1ccc(c(c1)C#N)OC 34a_100011204338_100000748629 [0,2,0,0,0,0|2,0,0]=4 2870 B15R1.12854 C=C(C)CNc1ccc(c(c1)C#N)OC 7a_100011204338_100000748629 [0,2,0,0,0,0|2,0,0]=4 2871 B15R1.12854 C=C(C)CNc1ccc(c(c1)OC)C#N 34a_100011999456_100000748629 [0,2,0,0,0,0|2,0,0]=4 2872 B15R1.12854 C=C(C)CNc1ccc(c(c1)OC)CO 34a_100012183141_100000748629 [0,2,0,0,0,0|2,0,0]=4 2873 B15R1.12854 C=C(C)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000748629 [0,2,0,0,0,0|0,0,0]=2 2874 B15R1.12854 C=C(C)COc1ccc(c(c1)OC)CO 34a_200000116926_100000748629 [0,2,0,0,0,0|2,0,0]=4 2875 B15R1.12854 C=C(C)COc1ccc(c(c1)OC)OC 34a_100000039706_100000748629 [0,2,0,0,0,0|0,0,0]=2 2876 B15R1.12854 C=C(C)CSc1cc(c(nn1)OC)OC 62a_100000748629_200000095610 [0,2,0,0,0,0|2,0,0]=4 2877 B15R1.12854 C=C(C)CSc1ccc(c(c1)C#N)OC 62a_100000748629_100000188252 [0,2,0,0,0,0|2,0,0]=4 2878 B15R1.12854 C=C(C)CSc1ccc(c(c1)C=O)OC 62a_100000170026_100000211660 [0,2,0,0,0,0|2,0,0]=4 2879 B15R1.12854 C=C(C)CSc1ccc(c(c1)C=O)OC 62a_100000748629_100000170026 [0,2,0,0,0,0|2,0,0]=4 2880 B15R1.12854 C=C(C)CSc1ccc(c(c1)CC)OC 62a_100000748629_200010179862 [0,2,0,0,0,0|1,0,0]=3 2881 B15R1.12854 C=C(C)CSc1ccc(c(c1)CC)OC 62a_200010179862_100000211660 [0,2,0,0,0,0|1,0,0]=3 2882 B15R1.12854 C=C(C)CSc1ccc(c(c1)CN)OC 62a_100000690498_100000211660 [0,2,0,0,0,0|2,0,0]=4 2883 B15R1.12854 C=C(C)CSc1ccc(c(c1)CN)OC 62a_100000748629_100000690498 [0,2,0,0,0,0|2,0,0]=4 2884 B15R1.12854 C=C(C)CSc1ccc(c(c1)CO)OC 62a_100000204679_100000211660 [0,2,0,0,0,0|2,0,0]=4 2885 B15R1.12854 C=C(C)CSc1ccc(c(c1)CO)OC 62a_100000748629_100000204679 [0,2,0,0,0,0|2,0,0]=4 2886 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)C#N 62a_100000748629_100000694671 [0,2,0,0,0,0|2,0,0]=4 2887 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)C=O 62a_100000697075_100000211660 [0,2,0,0,0,0|2,0,0]=4 2888 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)C=O 62a_100000748629_100010290300 [0,2,0,0,0,0|2,0,0]=4 2889 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)CC 62a_100000748629_200010710398 [0,2,0,0,0,0|1,0,0]=3 2890 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)CC 62a_200010710398_100000211660 [0,2,0,0,0,0|1,0,0]=3 2891 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)CO 62a_100000748629_100011277633 [0,2,0,0,0,0|2,0,0]=4 2892 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)CO 62a_100011277633_100000211660 [0,2,0,0,0,0|2,0,0]=4 2893 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)OC 62a_100000748629_100011356967 [0,2,0,0,0,0|0,0,0]=2 2894 B15R1.12854 C=C(C)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000211660 [0,2,0,0,0,0|0,1,0]=3 2895 B15R1.12854 C=C(C)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000211660 [0,2,0,0,0,0|0,1,0]=3 2896 B15R1.12854 C=C(C)CSc1ccc(c(n1)OC)OC 62a_100000748629_100010214848 [0,2,0,0,0,0|1,0,0]=3 2897 B15R1.12854 C=C(C)CSc1cnc(c(c1)OC)OC 62a_100000748629_100010234541 [0,2,0,0,0,0|1,0,0]=3 2898 B15R1.12854 C=C(C)CSc1cnc(c(n1)OC)OC 62a_100000748629_100010132954 [0,2,0,0,0,0|2,0,0]=4 2899 B15R1.12854 C=C(C)CSc1cnc(c(n1)OC)OC 62a_100010132954_100000211660 [0,2,0,0,0,0|2,0,0]=4 2900 B15R1.12854 C=C(C)CSc1ncc(c(n1)OC)OC 62a_100000748629_100010280452 [0,2,0,0,0,0|2,0,0]=4 2901 B15R1.12854 C=C(F)CNc1ccc(c(c1)C#N)OC 34a_100011204338_100009893438 [0,2,0,0,0,0|2,0,0]=4 2902 B15R1.12854 C=C(F)CNc1ccc(c(c1)C#N)OC 7a_100011204338_100000042424 [0,2,0,0,0,0|2,0,0]=4 2903 B15R1.12854 C=C(F)CNc1ccc(c(c1)OC)C#N 34a_100011999456_100009893438 [0,2,0,0,0,0|2,0,0]=4 2904 B15R1.12854 C=C(F)CNc1ccc(c(c1)OC)CO 34a_100012183141_100009893438 [0,2,0,0,0,0|2,0,0]=4 2905 B15R1.12854 C=C(F)CNc1ccc(c(c1)OC)OC 34a_100000187404_100009893438 [0,2,0,0,0,0|0,0,0]=2 2906 B15R1.12854 C=C(F)COc1ccc(c(c1)OC)CO 34a_200000116926_100009893438 [0,2,0,0,0,0|2,0,0]=4 2907 B15R1.12854 C=C(F)COc1ccc(c(c1)OC)OC 34a_100000039706_100009893438 [0,2,0,0,0,0|0,0,0]=2 2908 B15R1.12854 C=C(F)CSc1cc(c(nn1)OC)OC 62a_100000042424_200000095610 [0,2,0,0,0,0|2,0,0]=4 2909 B15R1.12854 C=C(F)CSc1ccc(c(c1)C#N)OC 62a_100000042424_100000188252 [0,2,0,0,0,0|2,0,0]=4 2910 B15R1.12854 C=C(F)CSc1ccc(c(c1)C=O)OC 62a_100000042424_100000170026 [0,2,0,0,0,0|2,0,0]=4 2911 B15R1.12854 C=C(F)CSc1ccc(c(c1)C=O)OC 62a_100000170026_100000042424 [0,2,0,0,0,0|2,0,0]=4 2912 B15R1.12854 C=C(F)CSc1ccc(c(c1)CC)OC 62a_100000042424_200010179862 [0,2,0,0,0,0|1,0,0]=3 2913 B15R1.12854 C=C(F)CSc1ccc(c(c1)CC)OC 62a_200010179862_100000042424 [0,2,0,0,0,0|1,0,0]=3 2914 B15R1.12854 C=C(F)CSc1ccc(c(c1)CN)OC 62a_100000042424_100000690498 [0,2,0,0,0,0|2,0,0]=4 2915 B15R1.12854 C=C(F)CSc1ccc(c(c1)CN)OC 62a_100000690498_100000042424 [0,2,0,0,0,0|2,0,0]=4 2916 B15R1.12854 C=C(F)CSc1ccc(c(c1)CO)OC 62a_100000042424_100000204679 [0,2,0,0,0,0|2,0,0]=4 2917 B15R1.12854 C=C(F)CSc1ccc(c(c1)CO)OC 62a_100000204679_100000042424 [0,2,0,0,0,0|2,0,0]=4 2918 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)C#N 62a_100000042424_100000694671 [0,2,0,0,0,0|2,0,0]=4 2919 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)C=O 62a_100000042424_100010290300 [0,2,0,0,0,0|2,0,0]=4 2920 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)C=O 62a_100000697075_100000042424 [0,2,0,0,0,0|2,0,0]=4 2921 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)CC 62a_100000042424_200010710398 [0,2,0,0,0,0|1,0,0]=3 2922 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)CC 62a_200010710398_100000042424 [0,2,0,0,0,0|1,0,0]=3 2923 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)CO 62a_100000042424_100011277633 [0,2,0,0,0,0|2,0,0]=4 2924 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)CO 62a_100011277633_100000042424 [0,2,0,0,0,0|2,0,0]=4 2925 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)OC 62a_100000042424_100011356967 [0,2,0,0,0,0|0,0,0]=2 2926 B15R1.12854 C=C(F)CSc1ccc(c(c1)OC)SC 62a_200011001119_100000042424 [0,2,0,0,0,0|0,1,0]=3 2927 B15R1.12854 C=C(F)CSc1ccc(c(c1)SC)OC 62a_200009892704_100000042424 [0,2,0,0,0,0|0,1,0]=3 2928 B15R1.12854 C=C(F)CSc1ccc(c(n1)OC)OC 62a_100000042424_100010214848 [0,2,0,0,0,0|1,0,0]=3 2929 B15R1.12854 C=C(F)CSc1cnc(c(c1)OC)OC 62a_100000042424_100010234541 [0,2,0,0,0,0|1,0,0]=3 2930 B15R1.12854 C=C(F)CSc1cnc(c(n1)OC)OC 62a_100000042424_100010132954 [0,2,0,0,0,0|2,0,0]=4 2931 B15R1.12854 C=C(F)CSc1cnc(c(n1)OC)OC 62a_100010132954_100000042424 [0,2,0,0,0,0|2,0,0]=4 2932 B15R1.12854 C=C(F)CSc1ncc(c(n1)OC)OC 62a_100000042424_100010280452 [0,2,0,0,0,0|2,0,0]=4 2933 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)N 62a_100000747473_200010179862 [0,2,0,0,0,0|2,0,0]=4 2934 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)N 62a_200010179862_100000747473 [0,2,0,0,0,0|2,0,0]=4 2935 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)[O-] 62a_100020667443_200010179862 [0,2,0,0,0,0|2,0,0]=4 2936 B15R1.12854 CCc1cc(ccc1OC)SCC(=O)[O-] 62a_200010179862_100020667443 [0,2,0,0,0,0|2,0,0]=4 2937 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)N 62a_100000747473_200010710398 [0,2,0,0,0,0|2,0,0]=4 2938 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)N 62a_200010710398_100000747473 [0,2,0,0,0,0|2,0,0]=4 2939 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)[O-] 62a_100020667443_200010710398 [0,2,0,0,0,0|2,0,0]=4 2940 B15R1.12854 CCc1ccc(cc1OC)SCC(=O)[O-] 62a_200010710398_100020667443 [0,2,0,0,0,0|2,0,0]=4 2941 B15R1.12854 COc1cc(ccc1O[13CH3])/C=C/C(=O)C 34a_100102526088_200025704644 [0,2,0,0,0,0|0,0,1]=3 2942 B15R1.12854 COc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200103042931_200025704644 [0,2,0,0,0,0|1,0,1]=4 2943 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 34a_100011290831_200025704644 [0,2,0,0,0,0|0,0,1]=3 2944 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 7a_100011290831_200025704644 [0,2,0,0,0,0|0,0,1]=3 2945 B15R1.12854 COc1cc(ccc1O[13CH3])CC[N+](=O)[O-] 34a_100000080128_200025704644 [0,2,0,0,0,0|1,0,1]=4 2946 B15R1.12854 COc1cc(ccc1O[13CH3])CC[N+](=O)[O-] 7a_100000080128_200025704644 [0,2,0,0,0,0|1,0,1]=4 2947 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 34a_100000046322_200025704644 [0,2,0,0,0,0|0,0,1]=3 2948 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 7a_100000046322_200025704644 [0,2,0,0,0,0|0,0,1]=3 2949 B15R1.12854 COc1cc(ccc1SC)SCC(=O)N 62a_200011001119_100000747473 [0,2,0,0,0,0|1,1,0]=4 2950 B15R1.12854 COc1cc(ccc1SC)SCC(=O)[O-] 62a_200011001119_100020667443 [0,2,0,0,0,0|1,1,0]=4 2951 B15R1.12854 COc1cc(cnc1OC)SCC(=O)N 62a_100000747473_100010234541 [0,2,0,0,0,0|2,0,0]=4 2952 B15R1.12854 COc1cc(cnc1OC)SCC(=O)[O-] 62a_100020667443_100010234541 [0,2,0,0,0,0|2,0,0]=4 2953 B15R1.12854 COc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_200000210301 [0,2,0,0,0,0|0,0,1]=3 2954 B15R1.12854 COc1ccc(cc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_200000210301 [0,2,0,0,0,0|1,0,1]=4 2955 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)C 1458a_100015194992_200000210301 [0,2,0,0,0,0|0,0,1]=3 2956 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100015194992_200025704644 [0,2,0,0,0,0|0,0,1]=3 2957 B15R1.12854 COc1ccc(cc1OC)C=CC(C)C 271570a_100016257149_100000187503 [0,2,0,0,0,0|0,0,2]=4 2958 B15R1.12854 COc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_100000187503 [0,2,0,0,0,0|0,0,2]=4 2959 B15R1.12854 COc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_200000210301 [0,2,0,0,0,0|1,0,1]=4 2960 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000070787_100011740610 [0,2,0,0,0,0|0,0,1]=3 2961 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000187252_200000210301 [0,2,0,0,0,0|0,0,1]=3 2962 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 34a_100011290831_200000210301 [0,2,0,0,0,0|0,0,1]=3 2963 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 7a_100011290831_200000210301 [0,2,0,0,0,0|0,0,1]=3 2964 B15R1.12854 COc1ccc(cc1OC)CCC(=O)[13CH3] 1458a_100000187252_200025704644 [0,2,0,0,0,0|0,0,1]=3 2965 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 2230a_100000211294_200000210301 [0,2,0,0,0,0|0,0,2]=4 2966 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 2230a_100102631434_100011273988 [0,2,0,0,0,0|0,0,2]=4 2967 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 269982a_100000211294_200000210301 [0,2,0,0,0,0|0,0,2]=4 2968 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 269982a_100102631434_100011273988 [0,2,0,0,0,0|0,0,2]=4 2969 B15R1.12854 COc1ccc(cc1OC)CCN(C)C 270004a_100102631434_100011754369 [0,2,0,0,0,0|0,0,2]=4 2970 B15R1.12854 COc1ccc(cc1OC)CCN(C)[13CH3] 2230a_100000211294_200025704644 [0,2,0,0,0,0|0,0,2]=4 2971 B15R1.12854 COc1ccc(cc1OC)CCN(C)[13CH3] 269982a_100000211294_200025704644 [0,2,0,0,0,0|0,0,2]=4 2972 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 34a_100000080128_200000210301 [0,2,0,0,0,0|1,0,1]=4 2973 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 34a_200000077489_200000210301 [0,2,0,0,0,0|1,0,1]=4 2974 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 7a_100000080128_200000210301 [0,2,0,0,0,0|1,0,1]=4 2975 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 7a_200000077489_200000210301 [0,2,0,0,0,0|1,0,1]=4 2976 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 11a_100000185555_100015343762 [0,2,0,0,0,0|0,0,1]=3 2977 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 1626a_100000185555_100015343762 [0,2,0,0,0,0|0,0,1]=3 2978 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 240690a_100000185555_100015343762 [0,2,0,0,0,0|0,0,1]=3 2979 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 34a_100000046322_200000210301 [0,2,0,0,0,0|0,0,1]=3 2980 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 527a_100000185555_100103153847 [0,2,0,0,0,0|0,0,1]=3 2981 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 7a_100000046322_200000210301 [0,2,0,0,0,0|0,0,1]=3 2982 B15R1.12854 COc1ccc(cc1OC)CNC(C)C 207a_100138425928_100000170513 [0,2,0,0,0,0|0,0,2]=4 2983 B15R1.12854 COc1ccc(cc1OC)CNC(C)C 2230a_100138425928_100011233839 [0,2,0,0,0,0|0,0,2]=4 2984 B15R1.12854 COc1ccc(cc1OC)CNC(C)C 34a_100000185555_100000210206 [0,2,0,0,0,0|0,0,2]=4 2985 B15R1.12854 COc1ccc(cc1OC)COC(C)C 34a_100000210929_100000210206 [0,2,0,0,0,0|0,0,2]=4 2986 B15R1.12854 COc1ccc(cc1OC)CSC(C)C 62a_100000210206_100011233839 [0,2,0,0,0,0|0,0,2]=4 2987 B15R1.12854 COc1ccc(cc1OC)NCC(=O)N 34a_100000187404_100000187820 [0,2,0,0,0,0|1,0,0]=3 2988 B15R1.12854 COc1ccc(cc1OC)NCC(=O)[O-] 34a_100000187404_100020667443 [0,2,0,0,0,0|1,0,0]=3 2989 B15R1.12854 COc1ccc(cc1OC)NCC(C)C 34a_100000187404_100000210624 [0,2,0,0,0,0|0,0,2]=4 2990 B15R1.12854 COc1ccc(cc1OC)NCC(C)O 34a_100000187404_100011218427 [0,2,0,0,0,0|0,0,2]=4 2991 B15R1.12854 COc1ccc(cc1OC)NCC(F)F 34a_100000187404_100011934356 [0,2,0,0,0,0|1,0,1]=4 2992 B15R1.12854 COc1ccc(cc1OC)NC[C@@H](C)O 34a_100000187404_100009817552 [0,2,0,0,0,0|0,0,2]=4 2993 B15R1.12854 COc1ccc(cc1OC)NC[N+](=O)[O-] 34a_100000187404_100000761209 [0,2,0,0,0,0|2,0,0]=4 2994 B15R1.12854 COc1ccc(cc1OC)OCC(=O)N 34a_100000039706_100000187820 [0,2,0,0,0,0|1,0,0]=3 2995 B15R1.12854 COc1ccc(cc1OC)OCC(=O)[O-] 34a_100000039706_100020667443 [0,2,0,0,0,0|1,0,0]=3 2996 B15R1.12854 COc1ccc(cc1OC)OCC(C)C 34a_100000039706_100000210624 [0,2,0,0,0,0|0,0,2]=4 2997 B15R1.12854 COc1ccc(cc1OC)OCC(C)O 34a_100000039706_100011218427 [0,2,0,0,0,0|0,0,2]=4 2998 B15R1.12854 COc1ccc(cc1OC)OCC(F)F 34a_100000039706_100011934356 [0,2,0,0,0,0|1,0,1]=4 2999 B15R1.12854 COc1ccc(cc1OC)OC[C@@H](C)O 34a_100000039706_100009817552 [0,2,0,0,0,0|0,0,2]=4 3000 B15R1.12854 COc1ccc(cc1OC)OC[N+](=O)[O-] 34a_100000039706_100000761209 [0,2,0,0,0,0|2,0,0]=4 3001 B15R1.12854 COc1ccc(cc1OC)SCC(=O)N 62a_100000747473_100011356967 [0,2,0,0,0,0|1,0,0]=3 3002 B15R1.12854 COc1ccc(cc1OC)SCC(=O)[O-] 62a_100020667443_100011356967 [0,2,0,0,0,0|1,0,0]=3 3003 B15R1.12854 COc1ccc(cc1OC)SCC(C)C 62a_100000210624_100011356967 [0,2,0,0,0,0|0,0,2]=4 3004 B15R1.12854 COc1ccc(cc1OC)SCC(C)O 62a_100011218427_100011356967 [0,2,0,0,0,0|0,0,2]=4 3005 B15R1.12854 COc1ccc(cc1OC)SCC(F)F 62a_100011934356_100011356967 [0,2,0,0,0,0|1,0,1]=4 3006 B15R1.12854 COc1ccc(cc1OC)SC[C@@H](C)O 62a_100009817552_100011356967 [0,2,0,0,0,0|0,0,2]=4 3007 B15R1.12854 COc1ccc(cc1O[13CH3])/C=C/[N+](=O)[O-] 34a_100016278493_200025704644 [0,2,0,0,0,0|1,0,1]=4 3008 B15R1.12854 COc1ccc(cc1O[13CH3])CC[N+](=O)[O-] 34a_200000077489_200025704644 [0,2,0,0,0,0|1,0,1]=4 3009 B15R1.12854 COc1ccc(cc1O[13CH3])CC[N+](=O)[O-] 7a_200000077489_200025704644 [0,2,0,0,0,0|1,0,1]=4 3010 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200000210301_200016254069 [0,2,0,0,0,0|0,1,1]=4 3011 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200016254069_200000210301 [0,2,0,0,0,0|0,1,1]=4 3012 B15R1.12854 COc1ccc(cc1SC)SCC(=O)N 62a_200009892704_100000747473 [0,2,0,0,0,0|1,1,0]=4 3013 B15R1.12854 COc1ccc(cc1SC)SCC(=O)[O-] 62a_200009892704_100020667443 [0,2,0,0,0,0|1,1,0]=4 3014 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200016254069_200025704644 [0,2,0,0,0,0|0,1,1]=4 3015 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200025704644_200016254069 [0,2,0,0,0,0|0,1,1]=4 3016 B15R1.12854 COc1ccc(nc1OC)SCC(=O)N 62a_100000747473_100010214848 [0,2,0,0,0,0|2,0,0]=4 3017 B15R1.12854 COc1ccc(nc1OC)SCC(=O)[O-] 62a_100020667443_100010214848 [0,2,0,0,0,0|2,0,0]=4 3018 B15R1.23243 C#CCSc1ccc(c(c1C)OC)OC 62a_100000038162_100010000156 [0,2,0,0,0,0|0,0,2]=4 3019 B15R1.23243 C=CCSc1ccc(c(c1C)OC)OC 62a_100000210623_100010000156 [0,2,0,0,0,0|0,0,0]=2 3020 B15R1.23243 C=CCSc1ccc(c(c1F)C=O)OC 62a_100010202131_100000210623 [0,2,0,0,0,0|2,0,0]=4 3021 B15R1.23243 C=CCSc1ccc(c(c1F)OC)C#N 62a_100000210623_200010764283 [0,2,0,0,0,0|2,0,0]=4 3022 B15R1.23243 CCCCc1ccc(c(c1C)OC)OC 271570a_100020621405_100010000156 [0,2,0,0,0,0|0,0,2]=4 3023 B15R1.23243 CCCSc1ccc(c(c1C)OC)OC 62a_100000210303_100010000156 [0,2,0,0,0,0|0,0,2]=4 3024 B15R1.23243 CCNCc1ccc(c(c1Br)OC)OC 207a_100015525214_100009814707 [0,2,0,0,0,0|0,0,2]=4 3025 B15R1.23243 CCNCc1ccc(c(c1Br)OC)OC 270004a_100015525214_100009814707 [0,2,0,0,0,0|0,0,2]=4 3026 B15R1.23243 CCNCc1ccc(c(c1C)OC)OC 207a_100015525214_100000050322 [0,2,0,0,0,0|0,0,2]=4 3027 B15R1.23243 CCNCc1ccc(c(c1C)OC)OC 270004a_100015525214_100000050322 [0,2,0,0,0,0|0,0,2]=4 3028 B15R1.23243 CCNCc1ccc(c(c1Cl)OC)OC 207a_100015525214_100000033805 [0,2,0,0,0,0|0,0,2]=4 3029 B15R1.23243 CCNCc1ccc(c(c1Cl)OC)OC 2230a_100015525214_100011890039 [0,2,0,0,0,0|0,0,2]=4 3030 B15R1.23243 CCNCc1ccc(c(c1Cl)OC)OC 270004a_100015525214_100000033805 [0,2,0,0,0,0|0,0,2]=4 3031 B15R1.23243 CCNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_100000210202 [0,2,0,0,0,0|0,0,2]=4 3032 B15R1.23243 CCNCc1ccc(c(c1F)OC)OC 207a_100015525214_100009852382 [0,2,0,0,0,0|0,0,2]=4 3033 B15R1.23243 CCNCc1ccc(c(c1F)OC)OC 270004a_100015525214_100009852382 [0,2,0,0,0,0|0,0,2]=4 3034 B15R1.23243 CCNCc1ccc(c(c1I)OC)OC 207a_100015525214_100010191550 [0,2,0,0,0,0|0,0,2]=4 3035 B15R1.23243 CCNCc1ccc(c(c1I)OC)OC 270004a_100015525214_100010191550 [0,2,0,0,0,0|0,0,2]=4 3036 B15R1.23243 CCOCc1ccc(c(c1Cl)OC)OC 34a_100011218542_100000210202 [0,2,0,0,0,0|0,0,2]=4 3037 B15R1.23243 CCOCc1ccc(c(c1Cl)OC)OC 7a_100011218542_100000210202 [0,2,0,0,0,0|0,0,2]=4 3038 B15R1.23243 CCSCc1ccc(c(c1Cl)OC)OC 62a_100000210202_100011890039 [0,2,0,0,0,0|0,0,2]=4 3039 B15R1.23243 COCSc1ccc(c(c1C)OC)OC 62a_100000766300_100010000156 [0,2,0,0,0,0|1,0,1]=4 3040 B15R1.23243 COc1ccc(c(c1OC)C)SCC#N 62a_100011215382_100010000156 [0,2,0,0,0,0|1,0,1]=4 3041 B15R1.23243 COc1ccc(c(c1OC)C)SCC=O 62a_200015260668_100010000156 [0,2,0,0,0,0|1,0,0]=3 3042 B15R1.23243 COc1ccc(c(c1OC)C)SCCF 62a_100011217306_100010000156 [0,2,0,0,0,0|1,0,1]=4 3043 B15R1.23243 COc1ccc(c(c1OC)C)SCCO 62a_100000211926_100010000156 [0,2,0,0,0,0|1,0,1]=4 3044 B15R1.23243 COc1ccc(c(c1OC)C)SCSC 62a_100011218213_100010000156 [0,2,0,0,0,0|1,0,1]=4 3045 B15R1.23243 COc1ccc(c(c1OC)Cl)CNCF 34a_102515433231_100015361967 [0,2,0,0,0,0|1,0,1]=4 3046 B15R1.23243 COc1ccc(c(c1OC)Cl)COCF 34a_100011218542_100015361967 [0,2,0,0,0,0|1,0,1]=4 3047 B15R1.23243 COc1ccc(c(c1OC)Cl)COCF 7a_100011218542_100015361967 [0,2,0,0,0,0|1,0,1]=4 3048 B15R1.23243 COc1ccc(c(c1OC)Cl)CSCF 62a_100015361967_100011890039 [0,2,0,0,0,0|1,0,1]=4 3049 B15R1.38111 C#CCNc1cc(c(cc1C)OC)OC 34a_100000183460_100000184674 [0,2,0,0,0,0|0,0,2]=4 3050 B15R1.38111 C#CCNc1cc(c(cc1F)OC)OC 34a_100000753170_100000184674 [0,2,0,0,0,0|0,0,2]=4 3051 B15R1.38111 C=CCNc1cc(c(cc1C)OC)C#N 34a_100021893188_100015514636 [0,2,0,0,0,0|2,0,0]=4 3052 B15R1.38111 C=CCNc1cc(c(cc1C)OC)C#N 7a_100021893188_100015514636 [0,2,0,0,0,0|2,0,0]=4 3053 B15R1.38111 C=CCNc1cc(c(cc1C)OC)OC 34a_100000183460_100015514636 [0,2,0,0,0,0|0,0,0]=2 3054 B15R1.38111 C=CCNc1cc(c(cc1F)OC)OC 34a_100000753170_100015514636 [0,2,0,0,0,0|0,0,0]=2 3055 B15R1.38111 C=CCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000210623 [0,2,0,0,0,0|0,0,0]=2 3056 B15R1.38111 C=CCSc1nc(c(cc1C)OC)OC 62a_100000210623_200011016175 [0,2,0,0,0,0|1,0,0]=3 3057 B15R1.38111 CCCCc1cc(c(cc1F)OC)OC 271570a_100020621405_200011765842 [0,2,0,0,0,0|0,0,2]=4 3058 B15R1.38111 CCCNc1cc(c(cc1C)OC)OC 34a_100000183460_100000210303 [0,2,0,0,0,0|0,0,2]=4 3059 B15R1.38111 CCCNc1cc(c(cc1F)OC)OC 34a_100000753170_100000210303 [0,2,0,0,0,0|0,0,2]=4 3060 B15R1.38111 CCCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000210303 [0,2,0,0,0,0|0,0,2]=4 3061 B15R1.38111 CCNCc1cc(c(cc1Br)OC)OC 207a_100015525214_100000170863 [0,2,0,0,0,0|0,0,2]=4 3062 B15R1.38111 CCNCc1cc(c(cc1Br)OC)OC 270004a_100015525214_100000170863 [0,2,0,0,0,0|0,0,2]=4 3063 B15R1.38111 CCNCc1cc(c(cc1C)OC)OC 207a_100015525214_100000685059 [0,2,0,0,0,0|0,0,2]=4 3064 B15R1.38111 CCNCc1cc(c(cc1C)OC)OC 270004a_100015525214_100000685059 [0,2,0,0,0,0|0,0,2]=4 3065 B15R1.38111 CCNCc1cc(c(cc1Cl)OC)OC 207a_100015525214_100000186741 [0,2,0,0,0,0|0,0,2]=4 3066 B15R1.38111 CCNCc1cc(c(cc1Cl)OC)OC 270004a_100015525214_100000186741 [0,2,0,0,0,0|0,0,2]=4 3067 B15R1.38111 CCNCc1cc(c(cc1F)OC)OC 207a_100015525214_100011218750 [0,2,0,0,0,0|0,0,2]=4 3068 B15R1.38111 CCNCc1cc(c(cc1F)OC)OC 270004a_100015525214_100011218750 [0,2,0,0,0,0|0,0,2]=4 3069 B15R1.38111 CCNCc1cc(c(cc1F)OC)OC 34a_100132302102_100000210202 [0,2,0,0,0,0|0,0,2]=4 3070 B15R1.38111 CCNCc1cc(c(cc1I)OC)OC 207a_100015525214_100010174930 [0,2,0,0,0,0|0,0,2]=4 3071 B15R1.38111 CCNCc1cc(c(cc1I)OC)OC 270004a_100015525214_100010174930 [0,2,0,0,0,0|0,0,2]=4 3072 B15R1.38111 CCOCc1cc(c(cc1Br)OC)OC 34a_100121572206_100011375086 [0,2,0,0,0,0|0,0,2]=4 3073 B15R1.38111 CCOCc1cc(c(cc1Br)OC)OC 34a_200000246283_100000210202 [0,2,0,0,0,0|0,0,2]=4 3074 B15R1.38111 CCOCc1cc(c(cc1Br)OC)OC 7a_200000246283_100000210202 [0,2,0,0,0,0|0,0,2]=4 3075 B15R1.38111 CCSCc1cc(c(cc1Br)OC)OC 62a_100011375086_100000210202 [0,2,0,0,0,0|0,0,2]=4 3076 B15R1.38111 CNCCc1cc(c(cc1Br)OC)OC 2230a_200000215632_200000210301 [0,2,0,0,0,0|0,0,2]=4 3077 B15R1.38111 CNCCc1cc(c(cc1Br)OC)OC 34a_200000215632_200000210301 [0,2,0,0,0,0|0,0,2]=4 3078 B15R1.38111 COCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000766300 [0,2,0,0,0,0|1,0,1]=4 3079 B15R1.38111 COc1cc(c(cc1OC)CCC#N)O 271570a_203496583355_100009992945 [0,2,0,0,0,0|0,0,2]=4 3080 B15R1.38111 COc1cc(c(cc1OC)CCN[13CH3])Br 2230a_200000215632_200025704644 [0,2,0,0,0,0|0,0,2]=4 3081 B15R1.38111 COc1cc(c(cc1OC)CCN[13CH3])Br 34a_200000215632_200025704644 [0,2,0,0,0,0|0,0,2]=4 3082 B15R1.38111 COc1cc(c(cc1OC)CNCF)F 34a_100132302102_100015361967 [0,2,0,0,0,0|1,0,1]=4 3083 B15R1.38111 COc1cc(c(cc1OC)COCF)Br 34a_200000246283_100015361967 [0,2,0,0,0,0|1,0,1]=4 3084 B15R1.38111 COc1cc(c(cc1OC)COCF)Br 7a_200000246283_100015361967 [0,2,0,0,0,0|1,0,1]=4 3085 B15R1.38111 COc1cc(c(cc1OC)CSCF)Br 62a_100011375086_100015361967 [0,2,0,0,0,0|1,0,1]=4 3086 B15R1.38111 COc1cc(c(cc1OC)NCC=O)C 34a_100000183460_200009817547 [0,2,0,0,0,0|1,0,0]=3 3087 B15R1.38111 COc1cc(c(cc1OC)NCC=O)F 34a_100000753170_200009817547 [0,2,0,0,0,0|1,0,0]=3 3088 B15R1.38111 COc1cc(c(cc1OC)NCCF)C 34a_100000183460_100011217306 [0,2,0,0,0,0|1,0,1]=4 3089 B15R1.38111 COc1cc(c(cc1OC)NCCF)F 34a_100000753170_100011217306 [0,2,0,0,0,0|1,0,1]=4 3090 B15R1.38111 COc1cc(c(cc1OC)NCCO)C 34a_100000183460_100000211926 [0,2,0,0,0,0|1,0,1]=4 3091 B15R1.38111 COc1cc(c(cc1OC)NCCO)F 34a_100000753170_100000211926 [0,2,0,0,0,0|1,0,1]=4 3092 B15R1.38111 COc1cc(c(cc1OC)NCSC)C 34a_100000183460_100011218213 [0,2,0,0,0,0|1,0,1]=4 3093 B15R1.38111 COc1cc(c(cc1OC)NCSC)F 34a_100000753170_100011218213 [0,2,0,0,0,0|1,0,1]=4 3094 B15R1.38111 COc1cc(c(cc1OC)SCC#N)F 62a_200011765842_100011215382 [0,2,0,0,0,0|1,0,1]=4 3095 B15R1.38111 COc1cc(c(cc1OC)SCC=O)F 62a_200011765842_200015260668 [0,2,0,0,0,0|1,0,0]=3 3096 B15R1.38111 COc1cc(c(cc1OC)SCCF)F 62a_200011765842_100011217306 [0,2,0,0,0,0|1,0,1]=4 3097 B15R1.38111 COc1cc(c(cc1OC)SCCO)F 62a_200011765842_100000211926 [0,2,0,0,0,0|1,0,1]=4 3098 B15R1.38111 COc1cc(c(cc1OC)SCSC)F 62a_200011765842_100011218213 [0,2,0,0,0,0|1,0,1]=4 3099 B15R1.38111 COc1cc(c(nc1OC)SCC=O)C 62a_200015260668_200011016175 [0,2,0,0,0,0|2,0,0]=4 3100 B15R1.1827 CNC(C)c1cc(c(cc1C)OC)OC 269862a_106832991636_100000753887 [0,2,0,0,0,0|1,0,1]=4 3101 B15R1.1827 CNC(C)c1cc(c(cc1F)OC)OC 269862a_106832991636_100000687693 [0,2,0,0,0,0|1,0,1]=4 3102 B15R1.7061 CCC(O)c1ccc(c(c1)OC)OCF 34a_200000015950_100015361967 [0,2,0,0,0,0|0,0,2]=4 3103 B15R1.7061 CCC(O)c1ccc(c(c1)OC)OCF 7a_200000015950_100015361967 [0,2,0,0,0,0|0,0,2]=4 3104 B15R1.7061 CCOc1ccc(cc1OC)C(O)CC 34a_200000015950_100000210202 [0,2,0,0,0,0|0,0,2]=4 3105 B15R1.7061 CCOc1ccc(cc1OC)C(O)CC 7a_200000015950_100000210202 [0,2,0,0,0,0|0,0,2]=4 3106 B15R1.7680 CCOc1cc(ccc1OC)C(C)NC 269862a_106832991636_100012180953 [0,2,0,0,0,0|1,0,1]=4 3107 B15R1.7680 CNC(C)c1ccc(c(c1)COC)OC 269862a_106832991636_100000189620 [0,2,0,0,0,0|1,0,1]=4 3108 B15R1.12853 COc1ccc(cc1OC)C(=C(C)C)C 271570a_200000049429_100000187503 [0,2,0,0,0,0|0,0,2]=4 3109 B15R1.12855 CCC(NC)c1ccc(c(c1)OC)OC 2230a_200000245900_200000210301 [0,2,0,0,0,0|0,0,2]=4 3110 B15R1.12855 CCC(NC)c1ccc(c(c1)OC)OC 269862a_106832991636_100000189423 [0,2,0,0,0,0|0,0,2]=4 3111 B15R1.12855 CCC(N[13CH3])c1ccc(c(c1)OC)OC 2230a_200000245900_200025704644 [0,2,0,0,0,0|0,0,2]=4 3112 B15R1.12855 CN[C@@H](CO)c1ccc(c(c1)OC)OC 2230a_100009818805_200000210301 [0,2,0,0,0,0|1,0,1]=4 3113 B15R1.12855 CN[C@@H](CO)c1ccc(c(c1)OC)OC 34a_100009818805_200000210301 [0,2,0,0,0,0|1,0,1]=4 3114 B15R1.12855 COc1ccc(cc1OC)[C@H](CO)N[13CH3] 2230a_100009818805_200025704644 [0,2,0,0,0,0|1,0,1]=4 3115 B15R1.12855 COc1ccc(cc1OC)[C@H](CO)N[13CH3] 34a_100009818805_200025704644 [0,2,0,0,0,0|1,0,1]=4 3116 B15R1.369 COc1cc(cc(c1OC)Br)CN(C)C 270004a_100102631434_100000183470 [0,2,0,0,0,0|1,0,1]=4 3117 B15R1.369 COc1cc(cc(c1OC)Cl)CC(=O)C 34a_200010006941_200000210301 [0,2,0,0,0,0|0,0,1]=3 3118 B15R1.369 COc1cc(cc(c1OC)Cl)CC(=O)C 7a_200010006941_200000210301 [0,2,0,0,0,0|0,0,1]=3 3119 B15R1.369 COc1cc(cc(c1OC)Cl)CN(C)C 270004a_100102631434_100000184546 [0,2,0,0,0,0|1,0,1]=4 3120 B15R1.369 COc1cc(cc(c1OC)I)CN(C)C 270004a_100102631434_100000188315 [0,2,0,0,0,0|1,0,1]=4 3121 B15R1.369 COc1cc(cc(c1O[13CH3])Cl)CC(=O)C 34a_200010006941_200025704644 [0,2,0,0,0,0|0,0,1]=3 3122 B15R1.369 COc1cc(cc(c1O[13CH3])Cl)CC(=O)C 7a_200010006941_200025704644 [0,2,0,0,0,0|0,0,1]=3 3123 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Br 207a_100102657272_100000183235 [0,2,0,0,0,0|1,0,1]=4 3124 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Br 270004a_106832991635_100000183235 [0,2,0,0,0,0|1,0,1]=4 3125 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Cl 207a_100102657272_100000179819 [0,2,0,0,0,0|1,0,1]=4 3126 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Cl 270004a_106832991635_100000179819 [0,2,0,0,0,0|1,0,1]=4 3127 B15R1.3705 C=C=Cc1cc(c(c(c1)OC)OC)C#N 271570a_100015277604_200010153271 [0,2,0,0,0,0|0,0,2]=4 3128 B15R1.3705 C=C=Cc1cc(c(c(c1)OC)OC)C=O 271570a_100015277604_100009812253 [0,2,0,0,0,0|0,0,2]=4 3129 B15R1.3705 C=C=Cc1cc(c(c(c1)OC)OC)OC 271570a_100015277604_100009814342 [0,2,0,0,0,0|0,0,2]=4 3130 B15R1.3705 C=CCc1cc(c(c(c1)OC)OC)OC 34a_200000033544_200000210301 [0,2,0,0,0,0|0,0,0]=2 3131 B15R1.3705 C=CCc1cc(c(c(c1)OC)O[13CH3])OC 34a_200000033544_200025704644 [0,2,0,0,0,0|0,0,0]=2 3132 B15R1.3705 CC=Cc1cc(c(c(c1)OC)OC)C#N 271570a_100016259895_200010153271 [0,2,0,0,0,0|0,0,2]=4 3133 B15R1.3705 CC=Cc1cc(c(c(c1)OC)OC)C=O 271570a_100016259895_100009812253 [0,2,0,0,0,0|0,0,2]=4 3134 B15R1.3705 CC=Cc1cc(c(c(c1)OC)OC)OC 271570a_100016259895_100009814342 [0,2,0,0,0,0|0,0,2]=4 3135 B15R1.3705 CNCc1cc(c(c(c1)OC)OC)OC 207a_100102657272_100000210037 [0,2,0,0,0,0|1,0,1]=4 3136 B15R1.3705 CNCc1cc(c(c(c1)OC)OC)OC 2230a_106832991635_100011218709 [0,2,0,0,0,0|1,0,1]=4 3137 B15R1.3705 CNCc1cc(c(c(c1)OC)OC)OC 270004a_106832991635_100000210037 [0,2,0,0,0,0|1,0,1]=4 3138 B15R1.3705 COCc1cc(c(c(c1)OC)OC)OC 34a_100000210883_200000210301 [0,2,0,0,0,0|1,0,1]=4 3139 B15R1.3705 COc1cc(cc(c1OC)OC)CCN 34a_100000012791_200000210301 [0,2,0,0,0,0|1,0,1]=4 3140 B15R1.3705 COc1cc(cc(c1OC)OC)CO[13CH3] 34a_100000210883_200025704644 [0,2,0,0,0,0|1,0,1]=4 3141 B15R1.3705 COc1cc(cc(c1O[13CH3])OC)CCN 34a_100000012791_200025704644 [0,2,0,0,0,0|1,0,1]=4 3142 B15R1.3718 CCOc1cc(cc(c1OC)Br)CNC 207a_100102657272_100000184347 [0,2,0,0,0,0|1,0,1]=4 3143 B15R1.3718 CCOc1cc(cc(c1OC)Br)CNC 270004a_106832991635_100000184347 [0,2,0,0,0,0|1,0,1]=4 3144 B15R1.3718 CCOc1cc(cc(c1OC)Cl)CNC 207a_100102657272_100000010673 [0,2,0,0,0,0|1,0,1]=4 3145 B15R1.3718 CCOc1cc(cc(c1OC)Cl)CNC 270004a_106832991635_100000010673 [0,2,0,0,0,0|1,0,1]=4 3146 B15R1.529 CC=Cc1cc(ccc1OC)CC(=O)C 271570a_100016259895_100011493462 [0,2,0,0,0,0|1,0,1]=4 3147 B15R1.529 CCOc1cc(ccc1OC)C=C(C)C 271570a_100102525489_200010219349 [0,2,0,0,0,0|0,0,2]=4 3148 B15R1.529 CCOc1cc(ccc1OC)CC(=O)C 34a_200000075426_200000210301 [0,2,0,0,0,0|0,0,1]=3 3149 B15R1.529 CCOc1cc(ccc1OC)CC(=O)C 7a_200000075426_200000210301 [0,2,0,0,0,0|0,0,1]=3 3150 B15R1.529 CCOc1cc(ccc1OC)CN(C)C 2230a_100015183996_200000210301 [0,2,0,0,0,0|1,0,1]=4 3151 B15R1.529 CCOc1cc(ccc1OC)CN(C)C 269982a_100015183996_200000210301 [0,2,0,0,0,0|1,0,1]=4 3152 B15R1.529 CCOc1cc(ccc1OC)CN(C)C 270004a_100102631434_100000170514 [0,2,0,0,0,0|1,0,1]=4 3153 B15R1.529 CCOc1cc(ccc1OC)CN(C)[13CH3] 2230a_100015183996_200025704644 [0,2,0,0,0,0|1,0,1]=4 3154 B15R1.529 CCOc1cc(ccc1OC)CN(C)[13CH3] 269982a_100015183996_200025704644 [0,2,0,0,0,0|1,0,1]=4 3155 B15R1.529 CCOc1cc(ccc1O[13CH3])CC(=O)C 34a_200000075426_200025704644 [0,2,0,0,0,0|0,0,1]=3 3156 B15R1.529 CCOc1cc(ccc1O[13CH3])CC(=O)C 7a_200000075426_200025704644 [0,2,0,0,0,0|0,0,1]=3 3157 B15R1.529 CCSc1cc(ccc1OC)CC(=O)C 62a_100000210202_100011493462 [0,2,0,0,0,0|0,1,1]=4 3158 B15R1.529 CCSc1cc(ccc1OC)CC(=O)C 62a_100011493462_100000210202 [0,2,0,0,0,0|0,1,1]=4 3159 B15R1.529 COCc1cc(ccc1OC)C=C(C)C 271570a_100102525489_200011493686 [0,2,0,0,0,0|0,0,2]=4 3160 B15R1.529 COCc1cc(ccc1OC)CN(C)C 270004a_100102631434_100000708483 [0,2,0,0,0,0|1,0,1]=4 3161 B15R1.529 COc1ccc(cc1SCF)CC(=O)C 62a_100011493462_100015361967 [0,2,0,0,0,0|0,1,1]=4 3162 B15R1.529 COc1ccc(cc1SCF)CC(=O)C 62a_100015361967_100011493462 [0,2,0,0,0,0|0,1,1]=4 3163 B15R1.1799 COc1cc(c(cc1OC)C=C(C)C)F 271570a_100102525489_200011765842 [0,2,0,0,0,0|0,0,2]=4 3164 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)Br 1458a_100000070787_100011375086 [0,2,0,0,0,0|0,0,1]=3 3165 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)Br 1458a_100000204571_200000210301 [0,2,0,0,0,0|0,0,1]=3 3166 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)I 1458a_200010005243_200000210301 [0,2,0,0,0,0|0,0,1]=3 3167 B15R1.1799 COc1cc(c(cc1OC)CC(=O)C)O 271570a_203496583355_200009994825 [0,2,0,0,0,0|0,0,1]=3 3168 B15R1.1799 COc1cc(c(cc1OC)CC(=O)[13CH3])Br 1458a_100000204571_200025704644 [0,2,0,0,0,0|0,0,1]=3 3169 B15R1.1799 COc1cc(c(cc1OC)CC(=O)[13CH3])I 1458a_200010005243_200025704644 [0,2,0,0,0,0|0,0,1]=3 3170 B15R1.1799 COc1cc(c(cc1OC)CN(C)C)Br 269982a_100102631434_100011375086 [0,2,0,0,0,0|1,0,1]=4 3171 B15R1.1799 COc1cc(c(cc1OC)CN(C)C)Br 270004a_100102631434_100000170863 [0,2,0,0,0,0|1,0,1]=4 3172 B15R1.1799 COc1cc(c(cc1OC)CN(C)C)C 270004a_100102631434_100000685059 [0,2,0,0,0,0|1,0,1]=4 3173 B15R1.1799 COc1cc(c(cc1OC)CN(C)C)Cl 270004a_100102631434_100000186741 [0,2,0,0,0,0|1,0,1]=4 3174 B15R1.1799 COc1cc(c(cc1OC)CN(C)C)F 270004a_100102631434_100011218750 [0,2,0,0,0,0|1,0,1]=4 3175 B15R1.1799 COc1cc(c(cc1OC)CN(C)C)I 270004a_100102631434_100010174930 [0,2,0,0,0,0|1,0,1]=4 3176 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 11a_100000183460_100015343762 [0,2,0,0,0,0|1,0,1]=4 3177 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 1626a_100000183460_100015343762 [0,2,0,0,0,0|1,0,1]=4 3178 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 22a_100000183460_100000070787 [0,2,0,0,0,0|1,0,1]=4 3179 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)C 527a_100000183460_100103153847 [0,2,0,0,0,0|1,0,1]=4 3180 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 11a_100000753170_100015343762 [0,2,0,0,0,0|1,0,1]=4 3181 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 1626a_100000753170_100015343762 [0,2,0,0,0,0|1,0,1]=4 3182 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 22a_100000753170_100000070787 [0,2,0,0,0,0|1,0,1]=4 3183 B15R1.1799 COc1cc(c(cc1OC)NC(=O)C)F 527a_100000753170_100103153847 [0,2,0,0,0,0|1,0,1]=4 3184 B15R1.9548 CCOc1ccc(cc1OC)C=C(C)C 271570a_100102525489_200012344064 [0,2,0,0,0,0|0,0,2]=4 3185 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 1458a_100000061229_200000210301 [0,2,0,0,0,0|0,0,1]=3 3186 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 34a_200000039568_100000210202 [0,2,0,0,0,0|0,0,1]=3 3187 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000061229_200025704644 [0,2,0,0,0,0|0,0,1]=3 3188 B15R1.9548 CCOc1ccc(cc1OC)CN(C)C 2230a_100025772790_200000210301 [0,2,0,0,0,0|1,0,1]=4 3189 B15R1.9548 CCOc1ccc(cc1OC)CN(C)C 269982a_100025772790_200000210301 [0,2,0,0,0,0|1,0,1]=4 3190 B15R1.9548 CCOc1ccc(cc1OC)CN(C)C 270004a_100102631434_100000169853 [0,2,0,0,0,0|1,0,1]=4 3191 B15R1.9548 CCOc1ccc(cc1OC)CN(C)[13CH3] 2230a_100025772790_200025704644 [0,2,0,0,0,0|1,0,1]=4 3192 B15R1.9548 CCOc1ccc(cc1OC)CN(C)[13CH3] 269982a_100025772790_200025704644 [0,2,0,0,0,0|1,0,1]=4 3193 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 11a_100000184985_100015343762 [0,2,0,0,0,0|1,0,1]=4 3194 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 1626a_100000184985_100015343762 [0,2,0,0,0,0|1,0,1]=4 3195 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 22a_100000184985_100000070787 [0,2,0,0,0,0|1,0,1]=4 3196 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 527a_100000184985_100103153847 [0,2,0,0,0,0|1,0,1]=4 3197 B15R1.9548 COc1cc(ccc1OCF)CC(=O)C 34a_200000039568_100015361967 [0,2,0,0,0,0|0,0,1]=3 3198 B15R1.12856 C=C(C)c1cc(ccc1OC)CC(=O)C 271570a_100000694244_100011493462 [0,2,0,0,0,0|1,0,1]=4 3199 B15R1.13088 COc1ccc(c(c1OC)Br)CN(C)C 270004a_100102631434_100009814707 [0,2,0,0,0,0|1,0,1]=4 3200 B15R1.13088 COc1ccc(c(c1OC)C)C=C(C)C 271570a_100102525489_100010000156 [0,2,0,0,0,0|0,0,2]=4 3201 B15R1.13088 COc1ccc(c(c1OC)C)CN(C)C 270004a_100102631434_100000050322 [0,2,0,0,0,0|1,0,1]=4 3202 B15R1.13088 COc1ccc(c(c1OC)Cl)CC(=O)C 1458a_100000070787_100011890039 [0,2,0,0,0,0|0,0,1]=3 3203 B15R1.13088 COc1ccc(c(c1OC)Cl)CC(=O)C 1458a_100012648522_200000210301 [0,2,0,0,0,0|0,0,1]=3 3204 B15R1.13088 COc1ccc(c(c1OC)Cl)CC(=O)[13CH3] 1458a_100012648522_200025704644 [0,2,0,0,0,0|0,0,1]=3 3205 B15R1.13088 COc1ccc(c(c1OC)Cl)CN(C)C 2230a_100102631434_100011890039 [0,2,0,0,0,0|1,0,1]=4 3206 B15R1.13088 COc1ccc(c(c1OC)Cl)CN(C)C 269982a_100102631434_100011890039 [0,2,0,0,0,0|1,0,1]=4 3207 B15R1.13088 COc1ccc(c(c1OC)Cl)CN(C)C 270004a_100102631434_100000033805 [0,2,0,0,0,0|1,0,1]=4 3208 B15R1.13088 COc1ccc(c(c1OC)F)CC(=O)C 1458a_200010293705_200000210301 [0,2,0,0,0,0|0,0,1]=3 3209 B15R1.13088 COc1ccc(c(c1OC)F)CC(=O)[13CH3] 1458a_200010293705_200025704644 [0,2,0,0,0,0|0,0,1]=3 3210 B15R1.13088 COc1ccc(c(c1OC)F)CN(C)C 270004a_100102631434_100009852382 [0,2,0,0,0,0|1,0,1]=4 3211 B15R1.13088 COc1ccc(c(c1OC)I)CN(C)C 270004a_100102631434_100010191550 [0,2,0,0,0,0|1,0,1]=4 3212 B15R1.9641 CC=Cc1ccc(c(c1)OCC)OCC 34a_100000057189_100000210202 [0,2,0,0,0,0|0,0,2]=4 3213 B15R1.9641 CC=Cc1ccc(c(c1)OCC)OCC 7a_100000057189_100000210202 [0,2,0,0,0,0|0,0,2]=4 3214 B15R1.9641 CC=Cc1ccc(c(c1)OCF)OCC 34a_100000057189_100015361967 [0,2,0,0,0,0|0,0,2]=4 3215 B15R1.9641 CC=Cc1ccc(c(c1)OCF)OCC 7a_100000057189_100015361967 [0,2,0,0,0,0|0,0,2]=4 3216 B15R1.9641 CCOc1cc(ccc1OCF)CC#N 7a_200000061240_100015361967 [0,2,0,0,0,0|1,0,1]=4 3217 B15R1.9641 CCOc1ccc(cc1OCC)CC#N 7a_200000061240_100000210202 [0,2,0,0,0,0|1,0,1]=4 3218 B15R1.9641 CCOc1ccc(cc1OCC)CNC 207a_100102657272_100000170400 [0,2,0,0,0,0|1,0,1]=4 3219 B15R1.9641 CCOc1ccc(cc1OCC)CNC 2230a_114948179043_200000210301 [0,2,0,0,0,0|1,0,1]=4 3220 B15R1.9641 CCOc1ccc(cc1OCC)CNC 270004a_106832991635_100000170400 [0,2,0,0,0,0|1,0,1]=4 3221 B15R1.9641 CCOc1ccc(cc1OCC)CNC 34a_114948179043_200000210301 [0,2,0,0,0,0|1,0,1]=4 3222 B15R1.9641 CCOc1ccc(cc1OCC)CN[13CH3] 2230a_114948179043_200025704644 [0,2,0,0,0,0|1,0,1]=4 3223 B15R1.9641 CCOc1ccc(cc1OCC)CN[13CH3] 34a_114948179043_200025704644 [0,2,0,0,0,0|1,0,1]=4 3224 B15R1.9641 CCOc1ccc(cc1OCC)COC 34a_100000189643_200000210301 [0,2,0,0,0,0|1,0,1]=4 3225 B15R1.9641 CCOc1ccc(cc1OCC)COC 7a_100000189643_200000210301 [0,2,0,0,0,0|1,0,1]=4 3226 B15R1.9641 CCOc1ccc(cc1OCC)CO[13CH3] 34a_100000189643_200025704644 [0,2,0,0,0,0|1,0,1]=4 3227 B15R1.9641 CCOc1ccc(cc1OCC)CO[13CH3] 7a_100000189643_200025704644 [0,2,0,0,0,0|1,0,1]=4 3228 B15R1.9647 C=C=Cc1ccc(c(c1)C(=O)OC)OC 271570a_100015277604_100012047238 [0,2,0,0,0,0|0,0,2]=4 3229 B15R1.9647 CC=Cc1ccc(c(c1)C(=O)OC)OC 271570a_100016259895_100012047238 [0,2,0,0,0,0|0,0,2]=4 3230 B15R1.9647 CNCc1ccc(c(c1)C(=O)OC)OC 270004a_106832991635_100000099090 [0,2,0,0,0,0|1,0,1]=4 3231 B15R1.9647 COC(=O)c1cc(ccc1OC)CO[13CH3] 34a_100010766233_200025704644 [0,2,0,0,0,0|1,0,1]=4 3232 B15R1.9647 COC(=O)c1cc(ccc1OC)CO[13CH3] 7a_100010766233_200025704644 [0,2,0,0,0,0|1,0,1]=4 3233 B15R1.9647 COCc1ccc(c(c1)C(=O)OC)OC 34a_100010766233_200000210301 [0,2,0,0,0,0|1,0,1]=4 3234 B15R1.9647 COCc1ccc(c(c1)C(=O)OC)OC 7a_100010766233_200000210301 [0,2,0,0,0,0|1,0,1]=4 3235 B15R1.9656 C=C=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100015277604_200011016479 [0,2,0,0,0,0|0,0,2]=4 3236 B15R1.9656 C=C=Cc1ccc(c(c1)OC(C)C)OC 271570a_100015277604_200010232110 [0,2,0,0,0,0|0,0,2]=4 3237 B15R1.9656 CC=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100016259895_200011016479 [0,2,0,0,0,0|0,0,2]=4 3238 B15R1.9656 CC=Cc1ccc(c(c1)OC(C)C)OC 271570a_100016259895_200010232110 [0,2,0,0,0,0|0,0,2]=4 3239 B15R1.9656 CNCc1ccc(c(c1)OC(=O)C)OC 207a_100102657272_100000014717 [0,2,0,0,0,0|1,0,1]=4 3240 B15R1.9656 CNCc1ccc(c(c1)OC(=O)C)OC 270004a_106832991635_100000014717 [0,2,0,0,0,0|1,0,1]=4 3241 B15R1.9656 CNCc1ccc(c(c1)OC(C)C)OC 207a_100102657272_100000170515 [0,2,0,0,0,0|1,0,1]=4 3242 B15R1.9656 CNCc1ccc(c(c1)OC(C)C)OC 270004a_106832991635_100000170515 [0,2,0,0,0,0|1,0,1]=4 3243 B15R1.9656 CNCc1ccc(c(c1)OC(C)C)OC 34a_100000188468_100000210206 [0,2,0,0,0,0|1,0,1]=4 3244 B15R1.9656 COc1ccc(cc1OC(C)C)CCN 34a_100011207234_100000210206 [0,2,0,0,0,0|1,0,1]=4 3245 B15R1.11268 C#CCOc1cc(ccc1OC)CCN 34a_100011207234_100000184674 [0,2,0,0,0,0|1,0,1]=4 3246 B15R1.11268 C#CCOc1cc(ccc1OC)CNC 207a_100102657272_100000172684 [0,2,0,0,0,0|1,0,1]=4 3247 B15R1.11268 C#CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000172684 [0,2,0,0,0,0|1,0,1]=4 3248 B15R1.11268 C#CCOc1cc(ccc1OC)CNC 34a_100000188468_100000184674 [0,2,0,0,0,0|1,0,1]=4 3249 B15R1.11268 C=C=Cc1ccc(c(c1)OCC#N)OC 271570a_100015277604_200010203062 [0,2,0,0,0,0|0,0,2]=4 3250 B15R1.11268 C=CCOc1cc(ccc1OC)CCN 34a_100011207234_100015514636 [0,2,0,0,0,0|1,0,1]=4 3251 B15R1.11268 C=CCOc1cc(ccc1OC)CNC 207a_100102657272_100000172156 [0,2,0,0,0,0|1,0,1]=4 3252 B15R1.11268 C=CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000172156 [0,2,0,0,0,0|1,0,1]=4 3253 B15R1.11268 C=CCOc1cc(ccc1OC)CNC 34a_100000188468_100015514636 [0,2,0,0,0,0|1,0,1]=4 3254 B15R1.11268 CC=Cc1ccc(c(c1)OCC#N)OC 271570a_100016259895_200010203062 [0,2,0,0,0,0|0,0,2]=4 3255 B15R1.11268 CCCOc1cc(ccc1OC)CCN 34a_100011207234_100000210303 [0,2,0,0,0,0|1,0,1]=4 3256 B15R1.11268 CCCOc1cc(ccc1OC)CNC 207a_100102657272_100000170516 [0,2,0,0,0,0|1,0,1]=4 3257 B15R1.11268 CCCOc1cc(ccc1OC)CNC 270004a_106832991635_100000170516 [0,2,0,0,0,0|1,0,1]=4 3258 B15R1.11268 CCCOc1cc(ccc1OC)CNC 34a_100000188468_100000210303 [0,2,0,0,0,0|1,0,1]=4 3259 B15R1.11268 CCOCc1cc(ccc1OC)CNC 207a_100102657272_100000748064 [0,2,0,0,0,0|1,0,1]=4 3260 B15R1.11268 CCOCc1cc(ccc1OC)CNC 270004a_106832991635_100000748064 [0,2,0,0,0,0|1,0,1]=4 3261 B15R1.11268 CNCc1ccc(c(c1)OCC=O)OC 34a_100000188468_200009817547 [0,2,0,0,0,0|1,0,1]=4 3262 B15R1.11268 CNCc1ccc(c(c1)OCCF)OC 34a_100000188468_100011217306 [0,2,0,0,0,0|1,0,1]=4 3263 B15R1.11268 CNCc1ccc(c(c1)OCCO)OC 34a_100000188468_100000211926 [0,2,0,0,0,0|1,0,1]=4 3264 B15R1.11268 CNCc1ccc(c(c1)OCSC)OC 34a_100000188468_100011218213 [0,2,0,0,0,0|1,0,1]=4 3265 B15R1.11268 COCSc1cc(ccc1OC)CC#N 62a_100000766300_100011215974 [0,2,0,0,0,0|1,0,1]=4 3266 B15R1.11268 COCSc1cc(ccc1OC)CC#N 62a_100011215974_100000766300 [0,2,0,0,0,0|1,0,1]=4 3267 B15R1.11268 COCSc1cc(ccc1OC)CCN 62a_100000766300_103549771065 [0,2,0,0,0,0|1,0,1]=4 3268 B15R1.11268 COCSc1cc(ccc1OC)CCN 62a_103549771065_100000766300 [0,2,0,0,0,0|1,0,1]=4 3269 B15R1.11268 COCSc1cc(ccc1OC)CCO 62a_100000766300_100011962876 [0,2,0,0,0,0|1,0,1]=4 3270 B15R1.11268 COCSc1cc(ccc1OC)CCO 62a_100011962876_100000766300 [0,2,0,0,0,0|1,0,1]=4 3271 B15R1.11268 COc1ccc(cc1OCC=O)CCN 34a_100011207234_200009817547 [0,2,0,0,0,0|1,0,1]=4 3272 B15R1.11268 COc1ccc(cc1OCCF)CCN 34a_100011207234_100011217306 [0,2,0,0,0,0|1,0,1]=4 3273 B15R1.11268 COc1ccc(cc1OCCO)CCN 34a_100011207234_100000211926 [0,2,0,0,0,0|1,0,1]=4 3274 B15R1.11268 COc1ccc(cc1OCSC)CCN 34a_100011207234_100011218213 [0,2,0,0,0,0|1,0,1]=4 3275 B15R1.27361 CCOc1cc(c(cc1OC)Cl)CNC 207a_100102657272_100000066843 [0,2,0,0,0,0|1,0,1]=4 3276 B15R1.27361 CCOc1cc(c(cc1OC)Cl)CNC 270004a_106832991635_100000066843 [0,2,0,0,0,0|1,0,1]=4 3277 B15R1.594 C=C=Cc1ccc(c(c1)OC)OC(C)C 271570a_100015277604_100012354883 [0,2,0,0,0,0|0,0,2]=4 3278 B15R1.594 C=CCc1ccc(c(c1)OC)OC(C)C 34a_100000181329_100000210206 [0,2,0,0,0,0|0,0,0]=2 3279 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 271570a_100016259895_100012354883 [0,2,0,0,0,0|0,0,2]=4 3280 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 34a_100015195088_100000210206 [0,2,0,0,0,0|0,0,2]=4 3281 B15R1.594 CCCc1ccc(c(c1)OC)OC(C)C 34a_100000012292_100000210206 [0,2,0,0,0,0|0,0,2]=4 3282 B15R1.594 CCCc1ccc(c(c1)OC)OC(C)C 7a_100000012292_100000210206 [0,2,0,0,0,0|0,0,2]=4 3283 B15R1.594 CNCc1ccc(c(c1)OC)OC(=O)C 207a_100102657272_100000189339 [0,2,0,0,0,0|1,0,1]=4 3284 B15R1.594 CNCc1ccc(c(c1)OC)OC(=O)C 270004a_106832991635_100000189339 [0,2,0,0,0,0|1,0,1]=4 3285 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 207a_100102657272_100000169854 [0,2,0,0,0,0|1,0,1]=4 3286 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 2230a_100000738442_200000210301 [0,2,0,0,0,0|1,0,1]=4 3287 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 270004a_106832991635_100000169854 [0,2,0,0,0,0|1,0,1]=4 3288 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 34a_100000738442_200000210301 [0,2,0,0,0,0|1,0,1]=4 3289 B15R1.594 CNCc1ccc(c(c1)OC)OC(F)F 207a_100102657272_100000179044 [0,2,0,0,0,0|1,0,1]=4 3290 B15R1.594 CNCc1ccc(c(c1)OC)OC(F)F 2230a_106832991635_100000195516 [0,2,0,0,0,0|1,0,1]=4 3291 B15R1.594 CNCc1ccc(c(c1)OC)OC(F)F 270004a_106832991635_100000179044 [0,2,0,0,0,0|1,0,1]=4 3292 B15R1.594 CNCc1ccc(c(c1)OC)OC(F)F 34a_100102657272_100000195516 [0,2,0,0,0,0|1,0,1]=4 3293 B15R1.594 CNCc1ccc(c(c1)OC)OC(F)F 7a_106832991635_100000195516 [0,2,0,0,0,0|1,0,1]=4 3294 B15R1.594 COCc1ccc(c(c1)OC)OC(F)F 34a_100138415774_100000195516 [0,2,0,0,0,0|1,0,1]=4 3295 B15R1.594 COc1cc(ccc1OC(C)C)CC#N 34a_100000032377_100000210206 [0,2,0,0,0,0|1,0,1]=4 3296 B15R1.594 COc1cc(ccc1OC(C)C)CCBr 34a_100010741665_100000210206 [0,2,0,0,0,0|1,0,1]=4 3297 B15R1.594 COc1cc(ccc1OC(C)C)CCBr 7a_100010741665_100000210206 [0,2,0,0,0,0|1,0,1]=4 3298 B15R1.594 COc1cc(ccc1OC(C)C)CCN 34a_100000756042_100000210206 [0,2,0,0,0,0|1,0,1]=4 3299 B15R1.594 COc1cc(ccc1OC(C)C)CCO 34a_100011215244_100000210206 [0,2,0,0,0,0|1,0,1]=4 3300 B15R1.594 COc1cc(ccc1OC(C)C)CN[13CH3] 2230a_100000738442_200025704644 [0,2,0,0,0,0|1,0,1]=4 3301 B15R1.594 COc1cc(ccc1OC(C)C)CN[13CH3] 34a_100000738442_200025704644 [0,2,0,0,0,0|1,0,1]=4 3302 B15R1.594 COc1cc(ccc1OC(F)F)CSC 62a_100000195516_200000210301 [0,2,0,0,0,0|1,0,1]=4 3303 B15R1.594 COc1cc(ccc1OC(F)F)CSC 62a_200000210301_100000195516 [0,2,0,0,0,0|1,0,1]=4 3304 B15R1.594 COc1cc(ccc1OC(F)F)CS[13CH3] 62a_100000195516_200025704644 [0,2,0,0,0,0|1,0,1]=4 3305 B15R1.594 COc1cc(ccc1OC(F)F)CS[13CH3] 62a_200025704644_100000195516 [0,2,0,0,0,0|1,0,1]=4 3306 B15R1.10883 C#CCOc1ccc(cc1OC)C=CC 34a_100015195088_100000184674 [0,2,0,0,0,0|0,0,2]=4 3307 B15R1.10883 C#CCOc1ccc(cc1OC)CC#N 34a_100000032377_100000184674 [0,2,0,0,0,0|1,0,1]=4 3308 B15R1.10883 C#CCOc1ccc(cc1OC)CC=C 34a_100000181329_100000184674 [0,2,0,0,0,0|0,0,0]=2 3309 B15R1.10883 C#CCOc1ccc(cc1OC)CCBr 34a_100010741665_100000184674 [0,2,0,0,0,0|1,0,1]=4 3310 B15R1.10883 C#CCOc1ccc(cc1OC)CCBr 7a_100010741665_100000038162 [0,2,0,0,0,0|1,0,1]=4 3311 B15R1.10883 C#CCOc1ccc(cc1OC)CCC 34a_100000012292_100000184674 [0,2,0,0,0,0|0,0,2]=4 3312 B15R1.10883 C#CCOc1ccc(cc1OC)CCC 7a_100000012292_100000038162 [0,2,0,0,0,0|0,0,2]=4 3313 B15R1.10883 C#CCOc1ccc(cc1OC)CCN 34a_100000756042_100000184674 [0,2,0,0,0,0|1,0,1]=4 3314 B15R1.10883 C#CCOc1ccc(cc1OC)CCO 34a_100011215244_100000184674 [0,2,0,0,0,0|1,0,1]=4 3315 B15R1.10883 C#CCOc1ccc(cc1OC)CNC 207a_100102657272_100000172627 [0,2,0,0,0,0|1,0,1]=4 3316 B15R1.10883 C#CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000172627 [0,2,0,0,0,0|1,0,1]=4 3317 B15R1.10883 C=C=Cc1ccc(c(c1)OC)OCCO 271570a_100015277604_100012347953 [0,2,0,0,0,0|0,0,2]=4 3318 B15R1.10883 C=CCOc1ccc(cc1OC)C=CC 34a_100015195088_100015514636 [0,2,0,0,0,0|0,0,2]=4 3319 B15R1.10883 C=CCOc1ccc(cc1OC)CC#N 34a_100000032377_100015514636 [0,2,0,0,0,0|1,0,1]=4 3320 B15R1.10883 C=CCOc1ccc(cc1OC)CC=C 34a_100000181329_100015514636 [0,2,0,0,0,0|0,0,0]=2 3321 B15R1.10883 C=CCOc1ccc(cc1OC)CCBr 34a_100010741665_100015514636 [0,2,0,0,0,0|1,0,1]=4 3322 B15R1.10883 C=CCOc1ccc(cc1OC)CCBr 7a_100010741665_100015514636 [0,2,0,0,0,0|1,0,1]=4 3323 B15R1.10883 C=CCOc1ccc(cc1OC)CCC 34a_100000012292_100015514636 [0,2,0,0,0,0|0,0,2]=4 3324 B15R1.10883 C=CCOc1ccc(cc1OC)CCC 7a_100000012292_100015514636 [0,2,0,0,0,0|0,0,2]=4 3325 B15R1.10883 C=CCOc1ccc(cc1OC)CCN 34a_100000756042_100015514636 [0,2,0,0,0,0|1,0,1]=4 3326 B15R1.10883 C=CCOc1ccc(cc1OC)CCO 34a_100011215244_100015514636 [0,2,0,0,0,0|1,0,1]=4 3327 B15R1.10883 C=CCOc1ccc(cc1OC)CNC 207a_100102657272_100000172052 [0,2,0,0,0,0|1,0,1]=4 3328 B15R1.10883 C=CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000172052 [0,2,0,0,0,0|1,0,1]=4 3329 B15R1.10883 C=CCc1ccc(c(c1)OC)OCC=O 34a_100000181329_200009817547 [0,2,0,0,0,0|0,0,0]=2 3330 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCC 34a_100000181329_100000210303 [0,2,0,0,0,0|0,0,0]=2 3331 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCF 34a_100000181329_100011217306 [0,2,0,0,0,0|0,0,0]=2 3332 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCO 34a_100000181329_100000211926 [0,2,0,0,0,0|0,0,0]=2 3333 B15R1.10883 C=CCc1ccc(c(c1)OC)OCSC 34a_100000181329_100011218213 [0,2,0,0,0,0|0,0,0]=2 3334 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCC=O 34a_100015195088_200009817547 [0,2,0,0,0,0|0,0,2]=4 3335 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCC 34a_100015195088_100000210303 [0,2,0,0,0,0|0,0,2]=4 3336 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCF 34a_100015195088_100011217306 [0,2,0,0,0,0|0,0,2]=4 3337 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCO 271570a_100016259895_100012347953 [0,2,0,0,0,0|0,0,2]=4 3338 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCO 34a_100015195088_100000211926 [0,2,0,0,0,0|0,0,2]=4 3339 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCSC 34a_100015195088_100011218213 [0,2,0,0,0,0|0,0,2]=4 3340 B15R1.10883 CCCOc1ccc(cc1OC)CC#N 34a_100000032377_100000210303 [0,2,0,0,0,0|1,0,1]=4 3341 B15R1.10883 CCCOc1ccc(cc1OC)CCBr 34a_100010741665_100000210303 [0,2,0,0,0,0|1,0,1]=4 3342 B15R1.10883 CCCOc1ccc(cc1OC)CCBr 7a_100010741665_100000210303 [0,2,0,0,0,0|1,0,1]=4 3343 B15R1.10883 CCCOc1ccc(cc1OC)CCC 34a_100000012292_100000210303 [0,2,0,0,0,0|0,0,2]=4 3344 B15R1.10883 CCCOc1ccc(cc1OC)CCC 7a_100000012292_100000210303 [0,2,0,0,0,0|0,0,2]=4 3345 B15R1.10883 CCCOc1ccc(cc1OC)CCN 34a_100000756042_100000210303 [0,2,0,0,0,0|1,0,1]=4 3346 B15R1.10883 CCCOc1ccc(cc1OC)CCO 34a_100011215244_100000210303 [0,2,0,0,0,0|1,0,1]=4 3347 B15R1.10883 CCCOc1ccc(cc1OC)CNC 207a_100102657272_100000169855 [0,2,0,0,0,0|1,0,1]=4 3348 B15R1.10883 CCCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169855 [0,2,0,0,0,0|1,0,1]=4 3349 B15R1.10883 CCCOc1ccc(cc1OC)CNC 34a_100000738441_200000210301 [0,2,0,0,0,0|1,0,1]=4 3350 B15R1.10883 CCCOc1ccc(cc1OC)CN[13CH3] 34a_100000738441_200025704644 [0,2,0,0,0,0|1,0,1]=4 3351 B15R1.10883 CCCc1ccc(c(c1)OC)OCC#N 7a_100000012292_100011215382 [0,2,0,0,0,0|0,0,2]=4 3352 B15R1.10883 CCCc1ccc(c(c1)OC)OCC=O 34a_100000012292_200009817547 [0,2,0,0,0,0|0,0,2]=4 3353 B15R1.10883 CCCc1ccc(c(c1)OC)OCC=O 7a_100000012292_200015260668 [0,2,0,0,0,0|0,0,2]=4 3354 B15R1.10883 CCCc1ccc(c(c1)OC)OCCF 34a_100000012292_100011217306 [0,2,0,0,0,0|0,0,2]=4 3355 B15R1.10883 CCCc1ccc(c(c1)OC)OCCF 7a_100000012292_100011217306 [0,2,0,0,0,0|0,0,2]=4 3356 B15R1.10883 CCCc1ccc(c(c1)OC)OCCO 34a_100000012292_100000211926 [0,2,0,0,0,0|0,0,2]=4 3357 B15R1.10883 CCCc1ccc(c(c1)OC)OCCO 7a_100000012292_100000211926 [0,2,0,0,0,0|0,0,2]=4 3358 B15R1.10883 CCCc1ccc(c(c1)OC)OCSC 34a_100000012292_100011218213 [0,2,0,0,0,0|0,0,2]=4 3359 B15R1.10883 CNCc1ccc(c(c1)OC)OCC#N 207a_100102657272_100000169422 [0,2,0,0,0,0|1,0,1]=4 3360 B15R1.10883 CNCc1ccc(c(c1)OC)OCC#N 270004a_106832991635_100000169422 [0,2,0,0,0,0|1,0,1]=4 3361 B15R1.10883 COCSc1ccc(cc1OC)CC#N 62a_100000766300_100010176002 [0,2,0,0,0,0|1,0,1]=4 3362 B15R1.10883 COCSc1ccc(cc1OC)CC#N 62a_100010176002_100000766300 [0,2,0,0,0,0|1,0,1]=4 3363 B15R1.10883 COc1cc(ccc1OCC#N)CCBr 7a_100010741665_100011215382 [0,2,0,0,0,0|1,0,1]=4 3364 B15R1.10883 COc1cc(ccc1OCC=O)CC#N 34a_100000032377_200009817547 [0,2,0,0,0,0|1,0,1]=4 3365 B15R1.10883 COc1cc(ccc1OCC=O)CCBr 34a_100010741665_200009817547 [0,2,0,0,0,0|1,0,1]=4 3366 B15R1.10883 COc1cc(ccc1OCC=O)CCBr 7a_100010741665_200015260668 [0,2,0,0,0,0|1,0,1]=4 3367 B15R1.10883 COc1cc(ccc1OCC=O)CCN 34a_100000756042_200009817547 [0,2,0,0,0,0|1,0,1]=4 3368 B15R1.10883 COc1cc(ccc1OCC=O)CCO 34a_100011215244_200009817547 [0,2,0,0,0,0|1,0,1]=4 3369 B15R1.10883 COc1cc(ccc1OCCF)CC#N 34a_100000032377_100011217306 [0,2,0,0,0,0|1,0,1]=4 3370 B15R1.10883 COc1cc(ccc1OCCF)CCBr 34a_100010741665_100011217306 [0,2,0,0,0,0|1,0,1]=4 3371 B15R1.10883 COc1cc(ccc1OCCF)CCBr 7a_100010741665_100011217306 [0,2,0,0,0,0|1,0,1]=4 3372 B15R1.10883 COc1cc(ccc1OCCF)CCN 34a_100000756042_100011217306 [0,2,0,0,0,0|1,0,1]=4 3373 B15R1.10883 COc1cc(ccc1OCCF)CCO 34a_100011215244_100011217306 [0,2,0,0,0,0|1,0,1]=4 3374 B15R1.10883 COc1cc(ccc1OCCO)CC#N 34a_100000032377_100000211926 [0,2,0,0,0,0|1,0,1]=4 3375 B15R1.10883 COc1cc(ccc1OCCO)CCBr 34a_100010741665_100000211926 [0,2,0,0,0,0|1,0,1]=4 3376 B15R1.10883 COc1cc(ccc1OCCO)CCBr 7a_100010741665_100000211926 [0,2,0,0,0,0|1,0,1]=4 3377 B15R1.10883 COc1cc(ccc1OCCO)CCN 34a_100000756042_100000211926 [0,2,0,0,0,0|1,0,1]=4 3378 B15R1.10883 COc1cc(ccc1OCCO)CCO 34a_100011215244_100000211926 [0,2,0,0,0,0|1,0,1]=4 3379 B15R1.10883 COc1cc(ccc1OCSC)CC#N 34a_100000032377_100011218213 [0,2,0,0,0,0|1,0,1]=4 3380 B15R1.10883 COc1cc(ccc1OCSC)CCBr 34a_100010741665_100011218213 [0,2,0,0,0,0|1,0,1]=4 3381 B15R1.10883 COc1cc(ccc1OCSC)CCN 34a_100000756042_100011218213 [0,2,0,0,0,0|1,0,1]=4 3382 B15R1.10883 COc1cc(ccc1OCSC)CCO 34a_100011215244_100011218213 [0,2,0,0,0,0|1,0,1]=4 3383 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Br 207a_100102657272_100009812228 [0,2,0,0,0,0|1,0,1]=4 3384 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Br 270004a_106832991635_100009812228 [0,2,0,0,0,0|1,0,1]=4 3385 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Cl 207a_100102657272_100000013881 [0,2,0,0,0,0|1,0,1]=4 3386 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Cl 270004a_106832991635_100000013881 [0,2,0,0,0,0|1,0,1]=4 3387 B15R1.16568 C=C=Cc1ccc(c(c1OC)OC)OC 271570a_100015277604_100011320274 [0,2,0,0,0,0|0,0,2]=4 3388 B15R1.16568 CC=Cc1ccc(c(c1OC)OC)OC 271570a_100016259895_100011320274 [0,2,0,0,0,0|0,0,2]=4 3389 B15R1.16568 CNCc1ccc(c(c1OC)OC)OC 207a_100102657272_100000210875 [0,2,0,0,0,0|1,0,1]=4 3390 B15R1.16568 CNCc1ccc(c(c1OC)OC)OC 270004a_106832991635_100000210875 [0,2,0,0,0,0|1,0,1]=4 3391 B15R1.16568 COCc1ccc(c(c1OC)OC)OC 34a_100011216276_200000210301 [0,2,0,0,0,0|1,0,1]=4 3392 B15R1.16568 COc1ccc(c(c1OC)OC)CO[13CH3] 34a_100011216276_200025704644 [0,2,0,0,0,0|1,0,1]=4 3393 B15R1.27356 C=C=Cc1cc(c(cc1C#N)OC)OC 271570a_100015277604_100000188247 [0,2,0,0,0,0|0,0,2]=4 3394 B15R1.27356 C=C=Cc1cc(c(cc1C=O)OC)OC 271570a_100015277604_100000170863 [0,2,0,0,0,0|0,0,2]=4 3395 B15R1.27356 C=C=Cc1cc(c(cc1CO)OC)OC 271570a_100015277604_200000246283 [0,2,0,0,0,0|0,0,2]=4 3396 B15R1.27356 C=C=Cc1cc(c(cc1OC)OC)OC 271570a_100015277604_100000050122 [0,2,0,0,0,0|0,0,2]=4 3397 B15R1.27356 C=Cc1cc(c(cc1CC#N)OC)OC 271570a_100011290941_100000199111 [0,2,0,0,0,0|1,0,1]=4 3398 B15R1.27356 C=Cc1cc(c(cc1CCN)OC)OC 271570a_100011290941_200000215632 [0,2,0,0,0,0|1,0,1]=4 3399 B15R1.27356 CC=Cc1cc(c(cc1C#N)OC)OC 271570a_100016259895_100000188247 [0,2,0,0,0,0|0,0,2]=4 3400 B15R1.27356 CC=Cc1cc(c(cc1C=O)OC)OC 271570a_100016259895_100000170863 [0,2,0,0,0,0|0,0,2]=4 3401 B15R1.27356 CC=Cc1cc(c(cc1CO)OC)OC 271570a_100016259895_200000246283 [0,2,0,0,0,0|0,0,2]=4 3402 B15R1.27356 CC=Cc1cc(c(cc1OC)OC)OC 271570a_100016259895_100000050122 [0,2,0,0,0,0|0,0,2]=4 3403 B15R1.27356 CNCc1cc(c(cc1C#N)OC)OC 207a_100102657272_100013041662 [0,2,0,0,0,0|1,0,1]=4 3404 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 207a_100102657272_100000210981 [0,2,0,0,0,0|1,0,1]=4 3405 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 270004a_106832991635_100000210981 [0,2,0,0,0,0|1,0,1]=4 3406 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 34a_100000749821_200000210301 [0,2,0,0,0,0|1,0,1]=4 3407 B15R1.27356 COCc1cc(c(cc1OC)OC)OC 34a_100000199048_200000210301 [0,2,0,0,0,0|1,0,1]=4 3408 B15R1.27356 COc1cc(c(cc1CN[13CH3])OC)OC 34a_100000749821_200025704644 [0,2,0,0,0,0|1,0,1]=4 3409 B15R1.27356 COc1cc(c(cc1CO[13CH3])OC)OC 34a_100000199048_200025704644 [0,2,0,0,0,0|1,0,1]=4 3410 B15R1.27356 COc1cc(c(cc1OC)SC)CC#N 62a_200000210301_100000199111 [0,2,0,0,0,0|1,0,1]=4 3411 B15R1.27356 COc1cc(c(cc1OC)SC)CCN 62a_200000210301_200000215632 [0,2,0,0,0,0|1,0,1]=4 3412 B15R1.27356 COc1cc(c(cc1OC)SC)CCN 62a_200000215632_200000210301 [0,2,0,0,0,0|1,0,1]=4 3413 B15R1.27356 COc1cc(c(cc1OC)S[13CH3])CC#N 62a_200025704644_100000199111 [0,2,0,0,0,0|1,0,1]=4 3414 B15R1.27356 COc1cc(c(cc1OC)S[13CH3])CCN 62a_200000215632_200025704644 [0,2,0,0,0,0|1,0,1]=4 3415 B15R1.27356 COc1cc(c(cc1OC)S[13CH3])CCN 62a_200025704644_200000215632 [0,2,0,0,0,0|1,0,1]=4 3416 B13R1.666 COCC=Cc1cc(ccn1)OC 271570a_100016286323_100011216251 [0,0,1,1,0,0|1,0,1]=4 3417 B13R1.666 COCC=Cc1cccc(c1)OC 271570a_100016286323_100000170001 [0,0,1,1,0,0|0,0,2]=4 3418 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [1,0,0,1,0,0|2,0,0]=4 3419 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [1,0,0,1,0,0|2,0,0]=4 3420 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [1,0,0,1,0,0|1,0,0]=3 3421 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [1,0,0,1,0,0|2,0,0]=4 3422 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [1,0,0,1,0,0|1,0,0]=3 3423 B13R2.57 C=Cc1ccc2c(c1)NCCS2 271570a_100011290941_100013243616 [1,0,0,1,0,0|1,1,0]=4 3424 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [1,0,0,1,0,0|1,0,0]=3 3425 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [1,0,0,1,0,0|1,0,0]=3 3426 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [1,0,0,1,0,0|0,0,0]=2 3427 B13R2.57 C=Cc1ccc2c(n1)NCCO2 271570a_100011290941_100010209492 [1,0,0,1,0,0|2,0,0]=4 3428 B13R2.57 C=Cc1cnc2c(c1)CCCO2 271570a_100011290941_100010109689 [1,0,0,1,0,0|2,0,0]=4 3429 B13R2.57 C=Cc1cnc2c(c1)NCCO2 271570a_100011290941_100000700286 [1,0,0,1,0,0|2,0,0]=4 3430 B13R2.57 C=Cc1cnc2c(c1)OCCN2 271570a_100011290941_100009816924 [1,0,0,1,0,0|2,0,0]=4 3431 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [1,0,0,1,0,0|1,0,1]=4 3432 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [1,0,0,1,0,0|1,0,1]=4 3433 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [1,0,0,1,0,0|1,0,1]=4 3434 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [1,0,0,1,0,0|1,0,1]=4 3435 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [1,0,0,1,0,0|1,0,1]=4 3436 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [1,0,0,1,0,0|1,0,1]=4 3437 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [1,0,0,1,0,0|1,0,1]=4 3438 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [1,0,0,1,0,0|1,0,1]=4 3439 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [1,0,0,1,0,0|1,0,1]=4 3440 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [1,0,0,1,0,0|1,0,1]=4 3441 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [1,0,0,1,0,0|2,0,0]=4 3442 B13R2.669 C=Cc1ccc2occ(c2c1)C 271570a_100011290941_100000728893 [1,0,0,1,0,0|1,0,1]=4 3443 B13R2.669 C=Cc1ccc2onc(c2c1)C 271570a_100011290941_100010196875 [1,0,0,1,0,0|2,0,0]=4 3444 B13R2.2130 C=Cc1ccc2c(c1)CCN2C 271570a_100011290941_100009815432 [1,0,0,1,0,0|2,0,0]=4 3445 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [1,0,0,1,0,0|2,0,0]=4 3446 B13R2.2130 C=Cc1ccc2c(c1)OCC2N 271570a_100011290941_100020628175 [1,0,0,1,0,0|2,0,0]=4 3447 B13R2.2130 C=Cc1ccc2c(coc2c1)C 271570a_100011290941_100010775837 [1,0,0,1,0,0|1,0,1]=4 3448 B13R2.2130 C=Cc1ccc2c(noc2c1)C 271570a_100011290941_100009815287 [1,0,0,1,0,0|2,0,0]=4 3449 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [1,0,0,1,0,0|2,0,0]=4 3450 B13R2.121 COc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010174914 [1,0,0,1,0,0|2,0,0]=4 3451 B13R2.121 CSc1c(ccc2c1cc[nH]2)C 62a_200000210301_100010248896 [1,0,0,1,0,0|1,1,0]=4 3452 B13R2.121 Cc1ccc2[nH]ccc2c1S[13CH3] 62a_200025704644_100010248896 [1,0,0,1,0,0|1,1,0]=4 3453 B13R2.449 C=C=Cc1ccc2c(c1)OCC2 271570a_100015277604_100009818566 [1,0,0,1,0,0|0,0,2]=4 3454 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [1,0,0,1,0,0|0,0,2]=4 3455 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [1,0,0,1,0,0|0,0,2]=4 3456 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [1,0,0,1,0,0|0,0,2]=4 3457 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [1,0,0,1,0,0|1,0,1]=4 3458 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [1,0,0,1,0,0|1,0,1]=4 3459 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [1,0,0,1,0,0|1,0,1]=4 3460 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [1,0,0,1,0,0|1,0,1]=4 3461 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [1,0,0,1,0,0|1,0,1]=4 3462 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [1,0,0,1,0,0|1,0,1]=4 3463 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [1,0,0,1,0,0|1,0,1]=4 3464 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [1,0,0,1,0,0|1,0,1]=4 3465 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [1,0,0,1,0,0|1,0,1]=4 3466 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [1,0,0,1,0,0|1,0,0]=3 3467 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [1,0,0,1,0,0|2,0,0]=4 3468 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [1,0,0,1,0,0|1,0,1]=4 3469 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [1,0,0,1,0,0|2,0,0]=4 3470 B13R2.599 COc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168744 [1,0,0,1,0,0|2,0,0]=4 3471 B13R2.599 CSc1cc2[nH]ccc2cc1C 62a_200000210301_100010199660 [1,0,0,1,0,0|1,1,0]=4 3472 B13R2.599 CSc1cc2sccc2cc1C 62a_100010762285_200000210301 [1,0,0,1,0,0|1,1,0]=4 3473 B13R2.599 CSc1cc2sccc2cc1C 62a_200000210301_100010762285 [1,0,0,1,0,0|1,1,0]=4 3474 B13R2.599 Cc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010199660 [1,0,0,1,0,0|1,1,0]=4 3475 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_100010762285_200025704644 [1,0,0,1,0,0|1,1,0]=4 3476 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_200025704644_100010762285 [1,0,0,1,0,0|1,1,0]=4 3477 B13R2.2461 COc1cc(ccc1C)C2CC2 271570a_100011220607_100011830276 [1,0,0,1,0,0|0,0,2]=4 3478 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [1,0,0,1,0,0|0,0,2]=4 3479 B13R2.84 COc1ccc2[nH]ccc2c1O 271570a_203496583355_100010169049 [1,0,0,1,0,0|1,0,0]=3 3480 B13R2.84 COc1ccc2[nH]ncc2c1O 271570a_203496583355_100010125576 [1,0,0,1,0,0|2,0,0]=4 3481 B13R2.84 COc1cnc2[nH]ccc2c1O 271570a_203496583355_100000097410 [1,0,0,1,0,0|2,0,0]=4 3482 B13R2.84 CSc1ccc2[nH]ccc2c1C 62a_200000210301_100010731972 [1,0,0,1,0,0|1,1,0]=4 3483 B13R2.84 Cc1c(ccc2c1cc[nH]2)S[13CH3] 62a_200025704644_100010731972 [1,0,0,1,0,0|1,1,0]=4 3484 B13R2.2396 COc1ccc(cc1C)C2CC2 271570a_100011220607_100011219705 [1,0,0,1,0,0|0,0,2]=4 3485 B13R2.2396 COc1ccc(cc1O)C2CC2 271570a_100011220607_100009816560 [1,0,0,1,0,0|0,0,2]=4 3486 B15R2.1825 C=C(C)c1cc2[nH]ccc2cc1OC 271570a_100000694244_100010245486 [0,1,0,1,0,0|2,0,0]=4 3487 B15R2.1825 C=C(C)c1cc2cc[nH]c2cc1OC 271570a_100000694244_100010245498 [0,1,0,1,0,0|2,0,0]=4 3488 B15R2.117 COc1cc2ccccc2cc1OC 34a_200011203880_200000210301 [0,1,0,1,0,0|0,0,1]=3 3489 B15R2.117 COc1cc2ccccc2cc1OC 7a_200011203880_200000210301 [0,1,0,1,0,0|0,0,1]=3 3490 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 34a_200011203880_200025704644 [0,1,0,1,0,0|0,0,1]=3 3491 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 7a_200011203880_200025704644 [0,1,0,1,0,0|0,0,1]=3 3492 B15R2.117 COc1cc2ccccc2cc1SC 62a_100009817100_200000210301 [0,1,0,1,0,0|0,1,1]=4 3493 B15R2.117 COc1cc2ccccc2cc1SC 62a_200000210301_100009817100 [0,1,0,1,0,0|0,1,1]=4 3494 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_100009817100_200025704644 [0,1,0,1,0,0|0,1,1]=4 3495 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_200025704644_100009817100 [0,1,0,1,0,0|0,1,1]=4 3496 B15R2.117 COc1cc2cccnc2cc1SC 62a_100011093944_200000210301 [0,1,0,1,0,0|0,1,1]=4 3497 B15R2.117 COc1cc2cccnc2cc1SC 62a_200000210301_100011093944 [0,1,0,1,0,0|0,1,1]=4 3498 B15R2.117 COc1cc2cccnc2cc1S[13CH3] 62a_100011093944_200025704644 [0,1,0,1,0,0|0,1,1]=4 3499 B15R2.117 COc1cc2cccnc2cc1S[13CH3] 62a_200025704644_100011093944 [0,1,0,1,0,0|0,1,1]=4 3500 B15R2.117 COc1cc2ccncc2cc1SC 62a_100010990640_200000210301 [0,1,0,1,0,0|0,1,1]=4 3501 B15R2.117 COc1cc2ccncc2cc1SC 62a_200000210301_100010990640 [0,1,0,1,0,0|0,1,1]=4 3502 B15R2.117 COc1cc2ccncc2cc1S[13CH3] 62a_100010990640_200025704644 [0,1,0,1,0,0|0,1,1]=4 3503 B15R2.117 COc1cc2ccncc2cc1S[13CH3] 62a_200025704644_100010990640 [0,1,0,1,0,0|0,1,1]=4 3504 B15R2.117 COc1cc2ncccc2cc1SC 62a_100020706834_200000210301 [0,1,0,1,0,0|0,1,1]=4 3505 B15R2.117 COc1cc2ncccc2cc1SC 62a_200000210301_100020706834 [0,1,0,1,0,0|0,1,1]=4 3506 B15R2.117 COc1cc2ncccc2cc1S[13CH3] 62a_100020706834_200025704644 [0,1,0,1,0,0|0,1,1]=4 3507 B15R2.117 COc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100020706834 [0,1,0,1,0,0|0,1,1]=4 3508 B15R2.352 C#CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000038162 [0,1,0,1,0,0|0,0,2]=4 3509 B15R2.352 C#CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000184674 [0,1,0,1,0,0|0,0,2]=4 3510 B15R2.352 C#CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000184674 [0,1,0,1,0,0|0,0,2]=4 3511 B15R2.352 C#CCSc1ccc2c(c1)OCCO2 62a_100000038162_100011216881 [0,1,0,1,0,0|0,0,2]=4 3512 B15R2.352 C=CCNc1ccc2c(c1)CCCC2 2230a_100011205400_100000210623 [0,1,0,1,0,0|2,0,0]=4 3513 B15R2.352 C=CCNc1ccc2c(c1)CCCC2 34a_100011205400_100015514636 [0,1,0,1,0,0|2,0,0]=4 3514 B15R2.352 C=CCNc1ccc2c(c1)CCCO2 2230a_100138412508_100000210623 [0,1,0,1,0,0|1,0,0]=3 3515 B15R2.352 C=CCNc1ccc2c(c1)CCCO2 34a_100138412508_100015514636 [0,1,0,1,0,0|1,0,0]=3 3516 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210623 [0,1,0,1,0,0|0,0,0]=2 3517 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 34a_100020630400_100015514636 [0,1,0,1,0,0|0,0,0]=2 3518 B15R2.352 C=CCOc1ccc2c(c1)CCCC2 34a_100000186212_100015514636 [0,1,0,1,0,0|2,0,0]=4 3519 B15R2.352 C=CCOc1ccc2c(c1)CCCC2 7a_100000186212_100015514636 [0,1,0,1,0,0|2,0,0]=4 3520 B15R2.352 C=CCOc1ccc2c(c1)CCCN2 34a_100000070867_100015514636 [0,1,0,1,0,0|2,0,0]=4 3521 B15R2.352 C=CCOc1ccc2c(c1)NCCC2 34a_106638131596_100015514636 [0,1,0,1,0,0|2,0,0]=4 3522 B15R2.352 C=CCOc1ccc2c(c1)NCCO2 34a_100020636358_100015514636 [0,1,0,1,0,0|1,0,0]=3 3523 B15R2.352 C=CCOc1ccc2c(c1)OCCO2 34a_100000234341_100015514636 [0,1,0,1,0,0|0,0,0]=2 3524 B15R2.352 C=CCSc1ccc2c(c1)CCCC2 62a_100000210623_100011221367 [0,1,0,1,0,0|2,0,0]=4 3525 B15R2.352 C=CCSc1ccc2c(c1)CCCC2 62a_100011221367_100000210623 [0,1,0,1,0,0|2,0,0]=4 3526 B15R2.352 C=CCSc1ccc2c(c1)CCCN2 62a_100000210623_100016994925 [0,1,0,1,0,0|2,0,0]=4 3527 B15R2.352 C=CCSc1ccc2c(c1)CCCN2 62a_100016994925_100000210623 [0,1,0,1,0,0|2,0,0]=4 3528 B15R2.352 C=CCSc1ccc2c(c1)CCCO2 62a_100000210623_100011393166 [0,1,0,1,0,0|1,0,0]=3 3529 B15R2.352 C=CCSc1ccc2c(c1)CCCO2 62a_100011393166_100000210623 [0,1,0,1,0,0|1,0,0]=3 3530 B15R2.352 C=CCSc1ccc2c(c1)NCCC2 62a_100000210623_100010196366 [0,1,0,1,0,0|2,0,0]=4 3531 B15R2.352 C=CCSc1ccc2c(c1)NCCC2 62a_100010196366_100000210623 [0,1,0,1,0,0|2,0,0]=4 3532 B15R2.352 C=CCSc1ccc2c(c1)NCCO2 62a_100000210623_100000708519 [0,1,0,1,0,0|1,0,0]=3 3533 B15R2.352 C=CCSc1ccc2c(c1)NCCS2 62a_100000210623_100013243616 [0,1,0,1,0,0|1,1,0]=4 3534 B15R2.352 C=CCSc1ccc2c(c1)OCCC2 62a_100000210623_100010700467 [0,1,0,1,0,0|1,0,0]=3 3535 B15R2.352 C=CCSc1ccc2c(c1)OCCC2 62a_100010700467_100000210623 [0,1,0,1,0,0|1,0,0]=3 3536 B15R2.352 C=CCSc1ccc2c(c1)OCCN2 62a_100000210623_100012355470 [0,1,0,1,0,0|1,0,0]=3 3537 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100000210623_100011216881 [0,1,0,1,0,0|0,0,0]=2 3538 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210623 [0,1,0,1,0,0|0,0,0]=2 3539 B15R2.352 C=CCSc1ccc2c(n1)NCCO2 62a_100000210623_100010209492 [0,1,0,1,0,0|2,0,0]=4 3540 B15R2.352 C=CCSc1ccc2c(n1)NCCO2 62a_100010209492_100000210623 [0,1,0,1,0,0|2,0,0]=4 3541 B15R2.352 C=CCSc1cnc2c(c1)CCCO2 62a_100000210623_100010109689 [0,1,0,1,0,0|2,0,0]=4 3542 B15R2.352 C=CCSc1cnc2c(c1)CCCO2 62a_100010109689_100000210623 [0,1,0,1,0,0|2,0,0]=4 3543 B15R2.352 C=CCSc1cnc2c(c1)NCCO2 62a_100000210623_100000700286 [0,1,0,1,0,0|2,0,0]=4 3544 B15R2.352 C=CCSc1cnc2c(c1)OCCN2 62a_100000210623_100009816924 [0,1,0,1,0,0|2,0,0]=4 3545 B15R2.352 C=CCSc1cnc2c(c1)OCCN2 62a_100009816924_100000210623 [0,1,0,1,0,0|2,0,0]=4 3546 B15R2.352 CCCCc1ccc2c(c1)OCCO2 271570a_100020621405_100000184379 [0,1,0,1,0,0|0,0,2]=4 3547 B15R2.352 CCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210303 [0,1,0,1,0,0|0,0,2]=4 3548 B15R2.352 CCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210303 [0,1,0,1,0,0|0,0,2]=4 3549 B15R2.352 CCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210303 [0,1,0,1,0,0|0,0,2]=4 3550 B15R2.352 CCCSc1ccc2c(c1)OCCO2 62a_100000210303_100011216881 [0,1,0,1,0,0|0,0,2]=4 3551 B15R2.352 CCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210303 [0,1,0,1,0,0|0,0,2]=4 3552 B15R2.352 CCNCc1ccc2c(c1)OCCO2 207a_100015525214_100000184955 [0,1,0,1,0,0|0,0,2]=4 3553 B15R2.352 CCNCc1ccc2c(c1)OCCO2 2230a_100000684186_100000210202 [0,1,0,1,0,0|0,0,2]=4 3554 B15R2.352 CCNCc1ccc2c(c1)OCCO2 270004a_100015525214_100000184955 [0,1,0,1,0,0|0,0,2]=4 3555 B15R2.352 CCNCc1ccc2c(c1)OCCO2 34a_100000684186_100000210202 [0,1,0,1,0,0|0,0,2]=4 3556 B15R2.352 CCOCc1ccc2c(c1)OCCO2 34a_100000745213_100000210202 [0,1,0,1,0,0|0,0,2]=4 3557 B15R2.352 COCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000766300 [0,1,0,1,0,0|1,0,1]=4 3558 B15R2.352 COCSc1ccc2c(c1)OCCO2 62a_100000766300_100011216881 [0,1,0,1,0,0|1,0,1]=4 3559 B15R2.352 COCSc1ccc2c(c1)OCCO2 62a_100011216881_100000766300 [0,1,0,1,0,0|1,0,1]=4 3560 B15R2.352 CSCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011218213 [0,1,0,1,0,0|1,0,1]=4 3561 B15R2.352 CSCNc1ccc2c(c1)OCCO2 34a_100020630400_100011218213 [0,1,0,1,0,0|1,0,1]=4 3562 B15R2.352 CSCOc1ccc2c(c1)OCCO2 34a_100000234341_100011218213 [0,1,0,1,0,0|1,0,1]=4 3563 B15R2.352 CSCSc1ccc2c(c1)OCCO2 62a_100011216881_100011218213 [0,1,0,1,0,0|1,0,1]=4 3564 B15R2.352 CSCSc1ccc2c(c1)OCCO2 62a_100011218213_100011216881 [0,1,0,1,0,0|1,0,1]=4 3565 B15R2.352 FCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011217306 [0,1,0,1,0,0|1,0,1]=4 3566 B15R2.352 FCCNc1ccc2c(c1)OCCO2 34a_100020630400_100011217306 [0,1,0,1,0,0|1,0,1]=4 3567 B15R2.352 FCCOc1ccc2c(c1)OCCO2 34a_100000234341_100011217306 [0,1,0,1,0,0|1,0,1]=4 3568 B15R2.352 FCCSc1ccc2c(c1)OCCO2 62a_100011216881_100011217306 [0,1,0,1,0,0|1,0,1]=4 3569 B15R2.352 FCCSc1ccc2c(c1)OCCO2 62a_100011217306_100011216881 [0,1,0,1,0,0|1,0,1]=4 3570 B15R2.352 FCNCc1ccc2c(c1)OCCO2 34a_100000684186_100015361967 [0,1,0,1,0,0|1,0,1]=4 3571 B15R2.352 FCOCc1ccc2c(c1)OCCO2 34a_100000745213_100015361967 [0,1,0,1,0,0|1,0,1]=4 3572 B15R2.352 N#CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011215382 [0,1,0,1,0,0|1,0,1]=4 3573 B15R2.352 N#CCSc1ccc2c(c1)OCCO2 62a_100011215382_100011216881 [0,1,0,1,0,0|1,0,1]=4 3574 B15R2.352 N#CCSc1ccc2c(c1)OCCO2 62a_100011216881_100011215382 [0,1,0,1,0,0|1,0,1]=4 3575 B15R2.352 O=CCNc1ccc2c(c1)CCCO2 2230a_100138412508_200015260668 [0,1,0,1,0,0|2,0,0]=4 3576 B15R2.352 O=CCNc1ccc2c(c1)CCCO2 34a_100138412508_200009817547 [0,1,0,1,0,0|2,0,0]=4 3577 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_200015260668 [0,1,0,1,0,0|1,0,0]=3 3578 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 34a_100020630400_200009817547 [0,1,0,1,0,0|1,0,0]=3 3579 B15R2.352 O=CCOc1ccc2c(c1)NCCO2 34a_100020636358_200009817547 [0,1,0,1,0,0|2,0,0]=4 3580 B15R2.352 O=CCOc1ccc2c(c1)OCCO2 34a_100000234341_200009817547 [0,1,0,1,0,0|1,0,0]=3 3581 B15R2.352 O=CCSc1ccc2c(c1)CCCO2 62a_100011393166_200015260668 [0,1,0,1,0,0|2,0,0]=4 3582 B15R2.352 O=CCSc1ccc2c(c1)CCCO2 62a_200015260668_100011393166 [0,1,0,1,0,0|2,0,0]=4 3583 B15R2.352 O=CCSc1ccc2c(c1)NCCO2 62a_200015260668_100000708519 [0,1,0,1,0,0|2,0,0]=4 3584 B15R2.352 O=CCSc1ccc2c(c1)OCCC2 62a_100010700467_200015260668 [0,1,0,1,0,0|2,0,0]=4 3585 B15R2.352 O=CCSc1ccc2c(c1)OCCC2 62a_200015260668_100010700467 [0,1,0,1,0,0|2,0,0]=4 3586 B15R2.352 O=CCSc1ccc2c(c1)OCCN2 62a_200015260668_100012355470 [0,1,0,1,0,0|2,0,0]=4 3587 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_100011216881_200015260668 [0,1,0,1,0,0|1,0,0]=3 3588 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_200015260668_100011216881 [0,1,0,1,0,0|1,0,0]=3 3589 B15R2.352 OCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000211926 [0,1,0,1,0,0|1,0,1]=4 3590 B15R2.352 OCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000211926 [0,1,0,1,0,0|1,0,1]=4 3591 B15R2.352 OCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000211926 [0,1,0,1,0,0|1,0,1]=4 3592 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100000211926_100011216881 [0,1,0,1,0,0|1,0,1]=4 3593 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000211926 [0,1,0,1,0,0|1,0,1]=4 3594 B15R2.1393 C=CCNc1ccc2onc(c2c1)C 34a_200000044492_100015514636 [0,1,0,1,0,0|2,0,0]=4 3595 B15R2.1393 C=CCSc1ccc2c(c1)C(=O)CO2 62a_100000210623_100000752586 [0,1,0,1,0,0|2,0,0]=4 3596 B15R2.1393 C=CCSc1ccc2occ(c2c1)C 62a_100000210623_100000728893 [0,1,0,1,0,0|1,0,1]=4 3597 B15R2.1393 C=CCSc1ccc2onc(c2c1)C 62a_100000210623_100010196875 [0,1,0,1,0,0|2,0,0]=4 3598 B15R2.1393 C=CCSc1ccc2onc(c2c1)C 62a_100010196875_100000210623 [0,1,0,1,0,0|2,0,0]=4 3599 B15R2.2115 CNc1c(ccc2c1cccc2)OC 34a_100009884440_200000210301 [0,1,0,1,0,0|1,0,1]=4 3600 B15R2.2115 CNc1ccc2ncccc2c1OC 34a_100009831023_200000210301 [0,1,0,1,0,0|1,0,1]=4 3601 B15R2.2115 COc1c(ccc2c1cccc2)SC 62a_200000210301_100010089960 [0,1,0,1,0,0|0,1,1]=4 3602 B15R2.2115 COc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010089960 [0,1,0,1,0,0|0,1,1]=4 3603 B15R2.2115 COc1c(ccc2c1cccn2)N[13CH3] 34a_100009831023_200025704644 [0,1,0,1,0,0|1,0,1]=4 3604 B15R2.2115 COc1c(ccc2c1nccc2)SC 62a_200000210301_100010256708 [0,1,0,1,0,0|0,1,1]=4 3605 B15R2.2115 COc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010256708 [0,1,0,1,0,0|0,1,1]=4 3606 B15R2.2115 COc1ccc2ccccc2c1N[13CH3] 34a_100009884440_200025704644 [0,1,0,1,0,0|1,0,1]=4 3607 B15R2.2115 COc1ccc2ccccc2c1SC 62a_200000210301_100000173347 [0,1,0,1,0,0|0,1,1]=4 3608 B15R2.2115 COc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000173347 [0,1,0,1,0,0|0,1,1]=4 3609 B15R2.2115 COc1ccc2cccnc2c1SC 62a_200000210301_100010071576 [0,1,0,1,0,0|0,1,1]=4 3610 B15R2.2115 COc1ccc2cccnc2c1S[13CH3] 62a_200025704644_100010071576 [0,1,0,1,0,0|0,1,1]=4 3611 B15R2.3136 COc1ccc2c(c1SC)C(=O)CC2 62a_100010009199_200000210301 [0,1,0,1,0,0|0,1,1]=4 3612 B15R2.3136 COc1ccc2c(c1SC)C(=O)CC2 62a_200000210301_100010009199 [0,1,0,1,0,0|0,1,1]=4 3613 B15R2.3136 COc1ccc2c(c1S[13CH3])C(=O)CC2 62a_100010009199_200025704644 [0,1,0,1,0,0|0,1,1]=4 3614 B15R2.3136 COc1ccc2c(c1S[13CH3])C(=O)CC2 62a_200025704644_100010009199 [0,1,0,1,0,0|0,1,1]=4 3615 B15R2.17712 C=CCNc1ccc2c(c1)CCN2C 34a_100000749598_100015514636 [0,1,0,1,0,0|2,0,0]=4 3616 B15R2.17712 C=CCOc1ccc2c(noc2c1)C 34a_200000076027_100015514636 [0,1,0,1,0,0|2,0,0]=4 3617 B15R2.17712 C=CCSc1ccc2c(c1)CCN2C 62a_100000210623_100009815432 [0,1,0,1,0,0|2,0,0]=4 3618 B15R2.17712 C=CCSc1ccc2c(c1)CCN2C 62a_100009815432_100000210623 [0,1,0,1,0,0|2,0,0]=4 3619 B15R2.17712 C=CCSc1ccc2c(c1)OCC2=O 62a_100000210623_100000686717 [0,1,0,1,0,0|2,0,0]=4 3620 B15R2.17712 C=CCSc1ccc2c(c1)OCC2N 62a_100000210623_100020628175 [0,1,0,1,0,0|2,0,0]=4 3621 B15R2.17712 C=CCSc1ccc2c(c1)OCC2N 62a_100020628175_100000210623 [0,1,0,1,0,0|2,0,0]=4 3622 B15R2.17712 C=CCSc1ccc2c(coc2c1)C 62a_100000210623_100010775837 [0,1,0,1,0,0|1,0,1]=4 3623 B15R2.17712 C=CCSc1ccc2c(noc2c1)C 62a_100000210623_100009815287 [0,1,0,1,0,0|2,0,0]=4 3624 B15R2.17712 C=CCSc1ccc2c(noc2c1)C 62a_100009815287_100000210623 [0,1,0,1,0,0|2,0,0]=4 3625 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200000210301_200010010916 [0,1,0,1,0,0|0,1,1]=4 3626 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200010010916_200000210301 [0,1,0,1,0,0|0,1,1]=4 3627 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_100010233615_200000210301 [0,1,0,1,0,0|0,1,1]=4 3628 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_200000210301_100010233615 [0,1,0,1,0,0|0,1,1]=4 3629 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200010010916_200025704644 [0,1,0,1,0,0|0,1,1]=4 3630 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200025704644_200010010916 [0,1,0,1,0,0|0,1,1]=4 3631 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_100010233615_200025704644 [0,1,0,1,0,0|0,1,1]=4 3632 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_200025704644_100010233615 [0,1,0,1,0,0|0,1,1]=4 3633 B15R2.31888 COc1ccc(cc1OC)NC2CC2 34a_100000187404_100000211595 [0,1,0,1,0,0|0,0,2]=4 3634 B15R2.31888 COc1ccc(cc1OC)OC2CC2 34a_100000039706_100000211595 [0,1,0,1,0,0|0,0,2]=4 3635 B15R2.1601 CC(N[13CH3])c1ccc2c(c1)OCCO2 2230a_100000738497_200025704644 [0,1,0,1,0,0|1,0,1]=4 3636 B15R2.1601 CC(N[13CH3])c1ccc2c(c1)OCCO2 34a_100000738497_200025704644 [0,1,0,1,0,0|1,0,1]=4 3637 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 2230a_100000738497_200000210301 [0,1,0,1,0,0|1,0,1]=4 3638 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 269862a_106832991636_100000182760 [0,1,0,1,0,0|1,0,1]=4 3639 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 34a_100000738497_200000210301 [0,1,0,1,0,0|1,0,1]=4 3640 B15R2.4367 CNCc1cc(c2c(c1)OCO2)OC 207a_100102657272_100000185029 [0,1,0,1,0,0|1,0,1]=4 3641 B15R2.4367 CNCc1cc(c2c(c1)OCO2)OC 2230a_100025755791_200000210301 [0,1,0,1,0,0|1,0,1]=4 3642 B15R2.4367 CNCc1cc(c2c(c1)OCO2)OC 34a_100025755791_200000210301 [0,1,0,1,0,0|1,0,1]=4 3643 B15R2.4367 COc1cc(cc2c1OCO2)CN[13CH3] 2230a_100025755791_200025704644 [0,1,0,1,0,0|1,0,1]=4 3644 B15R2.4367 COc1cc(cc2c1OCO2)CN[13CH3] 34a_100025755791_200025704644 [0,1,0,1,0,0|1,0,1]=4 3645 B15R2.1668 CC(=Cc1ccc2c(c1)OCCO2)C 271570a_100102525489_100000184379 [0,1,0,1,0,0|0,0,2]=4 3646 B15R2.1668 CC(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200000210301 [0,1,0,1,0,0|0,0,1]=3 3647 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 11a_100020630400_100015343762 [0,1,0,1,0,0|1,0,1]=4 3648 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 1626a_100020630400_100015343762 [0,1,0,1,0,0|1,0,1]=4 3649 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 22a_100020630400_100000070787 [0,1,0,1,0,0|1,0,1]=4 3650 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 527a_100020630400_100103153847 [0,1,0,1,0,0|1,0,1]=4 3651 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 2230a_100000684720_200000210301 [0,1,0,1,0,0|1,0,1]=4 3652 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 269982a_100000684720_200000210301 [0,1,0,1,0,0|1,0,1]=4 3653 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 270004a_100102631434_100000184955 [0,1,0,1,0,0|1,0,1]=4 3654 B15R2.1668 CN([13CH3])Cc1ccc2c(c1)OCCO2 2230a_100000684720_200025704644 [0,1,0,1,0,0|1,0,1]=4 3655 B15R2.1668 CN([13CH3])Cc1ccc2c(c1)OCCO2 269982a_100000684720_200025704644 [0,1,0,1,0,0|1,0,1]=4 3656 B15R2.1668 [13CH3]C(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200025704644 [0,1,0,1,0,0|0,0,1]=3 3657 B15R2.2215 CC=Cc1cc2[nH]ccc2cc1OC 271570a_100016259895_100010245486 [0,1,0,1,0,0|2,0,0]=4 3658 B15R2.2215 CC=Cc1cc2cc[nH]c2cc1OC 271570a_100016259895_100010245498 [0,1,0,1,0,0|2,0,0]=4 3659 B15R2.2215 CCSc1cc2[nH]ccc2cc1OC 62a_100000210202_100010245486 [0,1,0,1,0,0|1,1,0]=4 3660 B15R2.2215 CCSc1cc2cc[nH]c2cc1OC 62a_100000210202_100010245498 [0,1,0,1,0,0|1,1,0]=4 3661 B15R2.2215 COc1cc2[nH]ccc2cc1SCF 62a_100015361967_100010245498 [0,1,0,1,0,0|1,1,0]=4 3662 B15R2.2215 COc1cc2cc[nH]c2cc1SCF 62a_100015361967_100010245486 [0,1,0,1,0,0|1,1,0]=4 3663 B15R2.10338 C=C=Cc1ccc2c(c1)OCCCO2 271570a_100015277604_100000739260 [0,1,0,1,0,0|0,0,2]=4 3664 B15R2.10338 CC=Cc1ccc2c(c1)OCCCO2 271570a_100016259895_100000739260 [0,1,0,1,0,0|0,0,2]=4 3665 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 207a_100102657272_100000742767 [0,1,0,1,0,0|1,0,1]=4 3666 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 2230a_100000750700_200000210301 [0,1,0,1,0,0|1,0,1]=4 3667 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 2230a_106832991635_100000742768 [0,1,0,1,0,0|1,0,1]=4 3668 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 270004a_106832991635_100000742767 [0,1,0,1,0,0|1,0,1]=4 3669 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 34a_100000750700_200000210301 [0,1,0,1,0,0|1,0,1]=4 3670 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 34a_100102657272_100000742768 [0,1,0,1,0,0|1,0,1]=4 3671 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 7a_106832991635_100000742768 [0,1,0,1,0,0|1,0,1]=4 3672 B15R2.10338 COCc1ccc2c(c1)OCCCO2 34a_100138415774_100000742768 [0,1,0,1,0,0|1,0,1]=4 3673 B15R2.10338 CSCc1ccc2c(c1)OCCCO2 62a_100000742768_200000210301 [0,1,0,1,0,0|1,0,1]=4 3674 B15R2.10338 CSCc1ccc2c(c1)OCCCO2 62a_200000210301_100000742768 [0,1,0,1,0,0|1,0,1]=4 3675 B15R2.10338 [13CH3]NCc1ccc2c(c1)OCCCO2 2230a_100000750700_200025704644 [0,1,0,1,0,0|1,0,1]=4 3676 B15R2.10338 [13CH3]NCc1ccc2c(c1)OCCCO2 34a_100000750700_200025704644 [0,1,0,1,0,0|1,0,1]=4 3677 B15R2.10338 [13CH3]SCc1ccc2c(c1)OCCCO2 62a_100000742768_200025704644 [0,1,0,1,0,0|1,0,1]=4 3678 B15R2.10338 [13CH3]SCc1ccc2c(c1)OCCCO2 62a_200025704644_100000742768 [0,1,0,1,0,0|1,0,1]=4 3679 B15R2.16527 CCOc1cc(ccc1OC)C2CC2 271570a_100011220607_200010219349 [0,1,0,1,0,0|0,0,2]=4 3680 B15R2.16527 COCc1cc(ccc1OC)C2CC2 271570a_100011220607_200011493686 [0,1,0,1,0,0|0,0,2]=4 3681 B15R2.53412 CC=Cc1c(ccc2c1cc[nH]2)OC 271570a_100016259895_100010169049 [0,1,0,1,0,0|2,0,0]=4 3682 B15R2.53412 CCSc1c(ccc2c1cc[nH]2)OC 62a_100000210202_100010169049 [0,1,0,1,0,0|1,1,0]=4 3683 B15R2.53412 COc1ccc2[nH]ccc2c1SCF 62a_100015361967_100010169049 [0,1,0,1,0,0|1,1,0]=4 3684 B15R2.7058 CCOc1ccc(cc1OC)C2CC2 271570a_100011220607_200012344064 [0,1,0,1,0,0|0,0,2]=4 3685 B15R2.4787 C=C(C)c1c(ccc2c1cc[nH]2)OC 271570a_100000694244_100010169049 [0,1,0,1,0,0|2,0,0]=4 3686 B15R2.2220 C=C=Cc1ccc2c(c1C)OCCO2 271570a_100015277604_100010072848 [0,1,0,1,0,0|0,0,2]=4 3687 B15R2.2220 CC=Cc1ccc2c(c1C)OCCO2 271570a_100016259895_100010072848 [0,1,0,1,0,0|0,0,2]=4 3688 B15R2.31967 COc1ccc(c(c1OC)C)C2CC2 271570a_100011220607_100010000156 [0,1,0,1,0,0|0,0,2]=4 3689 B15R2.888 CNCc1cc2c(cc1C)OCCO2 207a_100102657272_100000101720 [0,1,0,1,0,0|1,0,1]=4 3690 B15R2.888 CNCc1cc2c(cc1C)OCCO2 270004a_106832991635_100000101720 [0,1,0,1,0,0|1,0,1]=4 3691 B15R2.87823 COc1cc(c(cc1OC)C2CC2)F 271570a_100011220607_200011765842 [0,1,0,1,0,0|0,0,2]=4 3692 B15R3.31603 c1cc2c(cc1C3CC3)OCCO2 271570a_100011220607_100000184379 [0,0,0,2,0,0|0,0,2]=4 3693 B13R1.358 C=C=Cc1cc(cc(c1)OC)OC 271570a_100015277604_100000685218 [0,0,0,0,1,1|0,0,2]=4 3694 B13R1.358 CC=Cc1cc(cc(c1)OC)OC 271570a_100016259895_100000685218 [0,0,0,0,1,1|0,0,2]=4 3695 B13R1.358 CNCc1cc(cc(c1)OC)OC 207a_100102657272_100000211681 [0,0,0,0,1,1|1,0,1]=4 3696 B13R1.358 CNCc1cc(cc(c1)OC)OC 2230a_100000737887_200000210301 [0,0,0,0,1,1|1,0,1]=4 3697 B13R1.358 CNCc1cc(cc(c1)OC)OC 2230a_106832991635_100011215721 [0,0,0,0,1,1|1,0,1]=4 3698 B13R1.358 CNCc1cc(cc(c1)OC)OC 26a_100102657272_100000181322 [0,0,0,0,1,1|1,0,1]=4 3699 B13R1.358 CNCc1cc(cc(c1)OC)OC 270004a_106832991635_100000211681 [0,0,0,0,1,1|1,0,1]=4 3700 B13R1.358 CNCc1cc(cc(c1)OC)OC 34a_100000737887_200000210301 [0,0,0,0,1,1|1,0,1]=4 3701 B13R1.358 CNCc1cc(cc(c1)OC)OC 34a_100102657272_100011215721 [0,0,0,0,1,1|1,0,1]=4 3702 B13R1.358 CNCc1cc(cc(c1)OC)OC 7a_106832991635_100011215721 [0,0,0,0,1,1|1,0,1]=4 3703 B13R1.358 COCc1cc(cc(c1)OC)OC 34a_100000700211_200000210301 [0,0,0,0,1,1|1,0,1]=4 3704 B13R1.358 COCc1cc(cc(c1)OC)OC 34a_100138415774_100011215721 [0,0,0,0,1,1|1,0,1]=4 3705 B13R1.358 COCc1cc(cc(c1)OC)OC 7a_100000700211_200000210301 [0,0,0,0,1,1|1,0,1]=4 3706 B13R1.358 COc1cc(cc(c1)OC)CN[13CH3] 2230a_100000737887_200025704644 [0,0,0,0,1,1|1,0,1]=4 3707 B13R1.358 COc1cc(cc(c1)OC)CN[13CH3] 34a_100000737887_200025704644 [0,0,0,0,1,1|1,0,1]=4 3708 B13R1.358 COc1cc(cc(c1)OC)CO[13CH3] 34a_100000700211_200025704644 [0,0,0,0,1,1|1,0,1]=4 3709 B13R1.358 COc1cc(cc(c1)OC)CO[13CH3] 7a_100000700211_200025704644 [0,0,0,0,1,1|1,0,1]=4 3710 B13R1.358 COc1cc(cc(c1)OC)CSC 62a_100011215721_200000210301 [0,0,0,0,1,1|1,0,1]=4 3711 B13R1.358 COc1cc(cc(c1)OC)CSC 62a_200000210301_100011215721 [0,0,0,0,1,1|1,0,1]=4 3712 B13R1.358 COc1cc(cc(c1)OC)CS[13CH3] 62a_100011215721_200025704644 [0,0,0,0,1,1|1,0,1]=4 3713 B13R1.358 COc1cc(cc(c1)OC)CS[13CH3] 62a_200025704644_100011215721 [0,0,0,0,1,1|1,0,1]=4 3714 B13R1.3911 C=C=Cc1cccc(c1OC)OC 271570a_100015277604_100009815961 [0,0,0,0,1,1|0,0,2]=4 3715 B13R1.3911 CC=Cc1cccc(c1OC)OC 271570a_100016259895_100009815961 [0,0,0,0,1,1|0,0,2]=4 3716 B13R1.3911 CNCc1cccc(c1OC)OC 207a_100102657272_100000210086 [0,0,0,0,1,1|1,0,1]=4 3717 B13R1.3911 CNCc1cccc(c1OC)OC 2230a_106832991635_100011217692 [0,0,0,0,1,1|1,0,1]=4 3718 B13R1.3911 CNCc1cccc(c1OC)OC 270004a_106832991635_100000210086 [0,0,0,0,1,1|1,0,1]=4 3719 B13R1.3911 CNCc1cccc(c1OC)OC 34a_100000737870_200000210301 [0,0,0,0,1,1|1,0,1]=4 3720 B13R1.3911 CNCc1cccc(c1OC)OC 34a_100102657272_100011217692 [0,0,0,0,1,1|1,0,1]=4 3721 B13R1.3911 CNCc1cccc(c1OC)OC 7a_106832991635_100011217692 [0,0,0,0,1,1|1,0,1]=4 3722 B13R1.3911 CNCc1ccnc(c1OC)OC 207a_100102657272_100000099779 [0,0,0,0,1,1|1,0,1]=4 3723 B13R1.3911 CNCc1ccnc(c1OC)OC 270004a_106832991635_100000099779 [0,0,0,0,1,1|1,0,1]=4 3724 B13R1.3911 CNCc1nccc(c1OC)OC 2230a_106832991635_100000718141 [0,0,0,0,1,1|1,0,1]=4 3725 B13R1.3911 CNCc1nccc(c1OC)OC 7a_106832991635_100000718141 [0,0,0,0,1,1|1,0,1]=4 3726 B13R1.3911 COCc1cccc(c1OC)OC 34a_100000211494_200000210301 [0,0,0,0,1,1|1,0,1]=4 3727 B13R1.3911 COCc1cccc(c1OC)OC 34a_100138415774_100011217692 [0,0,0,0,1,1|1,0,1]=4 3728 B13R1.3911 COc1cccc(c1OC)CN[13CH3] 34a_100000737870_200025704644 [0,0,0,0,1,1|1,0,1]=4 3729 B13R1.3911 COc1cccc(c1OC)CO[13CH3] 34a_100000211494_200025704644 [0,0,0,0,1,1|1,0,1]=4 3730 B13R1.3911 COc1cccc(c1OC)CSC 62a_100011217692_200000210301 [0,0,0,0,1,1|1,0,1]=4 3731 B13R1.3911 COc1cccc(c1OC)CSC 62a_200000210301_100011217692 [0,0,0,0,1,1|1,0,1]=4 3732 B13R1.3911 COc1cccc(c1OC)CS[13CH3] 62a_100011217692_200025704644 [0,0,0,0,1,1|1,0,1]=4 3733 B13R1.3911 COc1cccc(c1OC)CS[13CH3] 62a_200025704644_100011217692 [0,0,0,0,1,1|1,0,1]=4 3734 B13R1.3911 COc1ccnc(c1OC)CSC 62a_100000718141_200000210301 [0,0,0,0,1,1|1,0,1]=4 3735 B13R1.3911 COc1ccnc(c1OC)CSC 62a_200000210301_100000718141 [0,0,0,0,1,1|1,0,1]=4 3736 B13R1.3911 COc1ccnc(c1OC)CS[13CH3] 62a_100000718141_200025704644 [0,0,0,0,1,1|1,0,1]=4 3737 B13R1.3911 COc1ccnc(c1OC)CS[13CH3] 62a_200025704644_100000718141 [0,0,0,0,1,1|1,0,1]=4