0 B14R1.716 C#CC(C)OC/C=C/c1ccccc1 34a_100000210256_200000035995 [0,0,0,0,0,0|1,0,3]=4 1 B14R1.716 C#C[C@@H](C)OC/C=C/c1ccccc1 34a_100009815206_100016265936 [0,0,0,0,0,0|1,0,3]=4 2 B14R1.716 C#C[C@@H](C)OC/C=C/c1ccccc1 7a_100009815206_100016265936 [0,0,0,0,0,0|1,0,3]=4 3 B14R1.716 C=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000185746 [0,0,0,0,0,0|1,0,2]=3 4 B14R1.716 C=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_200121576911 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.716 C=CC(=O)OCCNc1ccccc1 34a_100000106764_100009813456 [0,0,0,0,0,0|1,0,3]=4 6 B14R1.716 C=CC(=O)OCCOc1ccccc1 34a_100000210340_100009813456 [0,0,0,0,0,0|1,0,3]=4 7 B14R1.716 C=CC(=O)OCCOc1ccccc1 7a_100000210340_100009813456 [0,0,0,0,0,0|1,0,3]=4 8 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100000719477_100009813456 [0,0,0,0,0,0|1,0,3]=4 9 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100009813456_100000041952 [0,0,0,0,0,0|1,0,3]=4 10 B14R1.716 C=CC(C)OC/C=C/c1ccccc1 34a_100000695699_100016265936 [0,0,0,0,0,0|1,0,3]=4 11 B14R1.716 CC(C#N)OC/C=C/c1ccccc1 34a_100011218135_100016265936 [0,0,0,0,0,0|2,0,2]=4 12 B14R1.716 CC(CF)OC/C=C/c1ccccc1 34a_100016041109_100016265936 [0,0,0,0,0,0|2,0,1]=3 13 B14R1.716 CC(CF)OC/C=C/c1ccccc1 7a_100016041109_100016265936 [0,0,0,0,0,0|2,0,1]=3 14 B14R1.716 CC(CN)OC/C=C/c1ccccc1 34a_100000210904_100016265936 [0,0,0,0,0,0|2,0,1]=3 15 B14R1.716 CC(CO)NC/C=C/c1ccccc1 2230a_100020603302_100012180447 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.716 CC(CO)NC/C=C/c1ccccc1 34a_100020603302_100012180447 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.716 CC(CO)OC/C=C/c1ccccc1 34a_100000210256_100012180447 [0,0,0,0,0,0|2,0,1]=3 18 B14R1.716 CC(CO)OC/C=C/c1cccnc1 34a_200102594124_100012180447 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.716 CC(CO)SC/C=C/c1ccccc1 62a_100012180447_100016265936 [0,0,0,0,0,0|2,1,1]=4 20 B14R1.716 CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210202 [0,0,0,0,0,0|1,0,1]=2 21 B14R1.716 CCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000210202 [0,0,0,0,0,0|1,0,3]=4 22 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,0,0,0,0,0|1,0,2]=3 23 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,0,0,0,0,0|1,0,2]=3 24 B14R1.716 CCC(=O)CCCCc1ccncc1 1458a_100000210414_100020630000 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000210414_100000199009 [0,0,0,0,0,0|2,0,1]=3 26 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000212059_100000210202 [0,0,0,0,0,0|2,0,1]=3 27 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000182835_100000210202 [0,0,0,0,0,0|2,0,1]=3 28 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000210414_200011203293 [0,0,0,0,0,0|2,0,1]=3 29 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [0,0,0,0,0,0|2,0,1]=3 30 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [0,0,0,0,0,0|2,0,1]=3 31 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210202 [0,0,0,0,0,0|2,0,1]=3 32 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000210414_200011297719 [0,0,0,0,0,0|2,0,1]=3 33 B14R1.716 CCC(=O)CCSCc1ccccn1 1458a_100000742633_100000210202 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.716 CCC(=O)CCSSc1ccccn1 1458a_100000068049_100000210202 [0,0,0,0,0,0|4,0,0]=4 35 B14R1.716 CCC(=O)COCCc1ccccc1 34a_100000725409_100000765856 [0,0,0,0,0,0|2,0,2]=4 36 B14R1.716 CCC(=O)COCCc1ccccc1 7a_100000210268_100000747405 [0,0,0,0,0,0|2,0,2]=4 37 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000747405_100011218657 [0,0,0,0,0,0|2,0,2]=4 38 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000765856_100000747405 [0,0,0,0,0,0|2,0,2]=4 39 B14R1.716 CCC(=O)CSCSc1ccccc1 62a_100000747405_100011218342 [0,0,0,0,0,0|3,0,1]=4 40 B14R1.716 CCC(=O)CSCSc1ccccc1 62a_100011218342_100000747405 [0,0,0,0,0,0|3,0,1]=4 41 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210414 [0,0,0,0,0,0|1,0,0]=1 42 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210414 [0,0,0,0,0,0|1,0,0]=1 43 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210414 [0,0,0,0,0,0|1,0,0]=1 44 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210414 [0,0,0,0,0,0|1,0,0]=1 45 B14R1.716 CCC(=O)NCC#Cc1ccccc1 11a_100000735379_100000210414 [0,0,0,0,0,0|1,0,2]=3 46 B14R1.716 CCC(=O)NCC#Cc1ccccc1 1626a_100000735379_100000210414 [0,0,0,0,0,0|1,0,2]=3 47 B14R1.716 CCC(=O)NCC#Cc1ccccc1 240690a_100000735379_100000210414 [0,0,0,0,0,0|1,0,2]=3 48 B14R1.716 CCC(=O)NCC#Cc1ccccc1 527a_100000735379_100000210414 [0,0,0,0,0,0|1,0,2]=3 49 B14R1.716 CCC(=O)NCCCc1ccccc1 11a_100000211184_100000210414 [0,0,0,0,0,0|1,0,2]=3 50 B14R1.716 CCC(=O)NCCCc1ccccc1 1626a_100000211184_100000210414 [0,0,0,0,0,0|1,0,2]=3 51 B14R1.716 CCC(=O)NCCCc1ccccc1 240690a_100000211184_100000210414 [0,0,0,0,0,0|1,0,2]=3 52 B14R1.716 CCC(=O)NCCCc1ccccc1 527a_100000211184_100000210414 [0,0,0,0,0,0|1,0,2]=3 53 B14R1.716 CCC(=O)NCCCc1ccccn1 11a_100000689020_100000210414 [0,0,0,0,0,0|2,0,2]=4 54 B14R1.716 CCC(=O)NCCCc1ccccn1 1626a_100000689020_100000210414 [0,0,0,0,0,0|2,0,2]=4 55 B14R1.716 CCC(=O)NCCCc1ccccn1 240690a_100000689020_100000210414 [0,0,0,0,0,0|2,0,2]=4 56 B14R1.716 CCC(=O)NCCCc1ccccn1 527a_100000689020_100000210414 [0,0,0,0,0,0|2,0,2]=4 57 B14R1.716 CCC(=O)NCCCc1cccnc1 11a_100011532358_100000210414 [0,0,0,0,0,0|2,0,2]=4 58 B14R1.716 CCC(=O)NCCCc1cccnc1 240690a_100011532358_100000210414 [0,0,0,0,0,0|2,0,2]=4 59 B14R1.716 CCC(=O)NCCCc1ccncc1 1626a_100011275580_100000210414 [0,0,0,0,0,0|2,0,2]=4 60 B14R1.716 CCC(=O)NCCCc1ccncc1 240690a_100011275580_100000210414 [0,0,0,0,0,0|2,0,2]=4 61 B14R1.716 CCC(=O)NCCCc1ccncc1 527a_100011275580_100000210414 [0,0,0,0,0,0|2,0,2]=4 62 B14R1.716 CCC(=O)NCCOc1ccccc1 11a_100000174943_100000210414 [0,0,0,0,0,0|2,0,1]=3 63 B14R1.716 CCC(=O)NCCOc1ccccc1 1626a_100000174943_100000210414 [0,0,0,0,0,0|2,0,1]=3 64 B14R1.716 CCC(=O)NCCOc1ccccc1 240690a_100000174943_100000210414 [0,0,0,0,0,0|2,0,1]=3 65 B14R1.716 CCC(=O)NCCOc1ccccc1 527a_100000174943_100000210414 [0,0,0,0,0,0|2,0,1]=3 66 B14R1.716 CCC(=O)NCCOc1ccccn1 11a_106741647558_100000210414 [0,0,0,0,0,0|3,0,1]=4 67 B14R1.716 CCC(=O)NCCOc1ccccn1 1626a_106741647558_100000210414 [0,0,0,0,0,0|3,0,1]=4 68 B14R1.716 CCC(=O)NCCOc1ccccn1 240690a_106741647558_100000210414 [0,0,0,0,0,0|3,0,1]=4 69 B14R1.716 CCC(=O)NCCOc1ccccn1 527a_106741647558_100000210414 [0,0,0,0,0,0|3,0,1]=4 70 B14R1.716 CCC(=O)NCCOc1cccnc1 11a_100000754688_100000210414 [0,0,0,0,0,0|3,0,1]=4 71 B14R1.716 CCC(=O)NCCOc1cccnc1 240690a_100000754688_100000210414 [0,0,0,0,0,0|3,0,1]=4 72 B14R1.716 CCC(=O)NCCOc1cccnc1 527a_100000754688_100000210414 [0,0,0,0,0,0|3,0,1]=4 73 B14R1.716 CCC(=O)NCCOc1ccncc1 11a_100025717301_100000210414 [0,0,0,0,0,0|3,0,1]=4 74 B14R1.716 CCC(=O)NCCOc1ccncc1 240690a_100025717301_100000210414 [0,0,0,0,0,0|3,0,1]=4 75 B14R1.716 CCC(=O)NCCOc1ccncc1 527a_100025717301_100000210414 [0,0,0,0,0,0|3,0,1]=4 76 B14R1.716 CCC(=O)NCCSc1ccccc1 240690a_100000189519_100000210414 [0,0,0,0,0,0|2,0,1]=3 77 B14R1.716 CCC(=O)NCCSc1ccccc1 527a_100000189519_100000210414 [0,0,0,0,0,0|2,0,1]=3 78 B14R1.716 CCC(=O)NN=CCc1ccccc1 4a_100000183195_100000209964 [0,0,0,0,0,0|2,0,1]=3 79 B14R1.716 CCC(=O)NNCCc1ccccc1 22a_100000740470_100000210414 [0,0,0,0,0,0|2,0,2]=4 80 B14R1.716 CCC(C)NC/C=C/c1ccccc1 2230a_100000209981_100016265936 [0,0,0,0,0,0|2,0,1]=3 81 B14R1.716 CCC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000758301 [0,0,0,0,0,0|2,0,1]=3 82 B14R1.716 CCC(C)NC/C=C/c1ccccc1 34a_100020603302_100011215416 [0,0,0,0,0,0|2,0,1]=3 83 B14R1.716 CCC(C)NCC=Cc1ccccc1 270004a_100000209981_100000210105 [0,0,0,0,0,0|2,0,1]=3 84 B14R1.716 CCC(C)OC/C=C/c1ccccc1 34a_100000210256_100011215416 [0,0,0,0,0,0|1,0,1]=2 85 B14R1.716 CCC(C)OC/C=C/c1ccccc1 7a_100000210228_100016265936 [0,0,0,0,0,0|1,0,1]=2 86 B14R1.716 CCC(C)OC/C=C/c1cccnc1 34a_200102594124_100011215416 [0,0,0,0,0,0|2,0,1]=3 87 B14R1.716 CCC(C)OCC#Cc1ccccc1 34a_100011217464_100011215416 [0,0,0,0,0,0|1,0,3]=4 88 B14R1.716 CCC(C)OCC#Cc1ccccc1 7a_100000210228_100011352542 [0,0,0,0,0,0|1,0,3]=4 89 B14R1.716 CCC(C)OCC#Cc1ccccc1 7a_100011217464_100000758301 [0,0,0,0,0,0|1,0,3]=4 90 B14R1.716 CCC(C)OCCCc1ccccc1 34a_100000210828_100011215416 [0,0,0,0,0,0|1,0,3]=4 91 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210228_100000211621 [0,0,0,0,0,0|1,0,3]=4 92 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210828_100000758301 [0,0,0,0,0,0|1,0,3]=4 93 B14R1.716 CCC(C)OCCNc1ccccc1 34a_100000211345_100011215416 [0,0,0,0,0,0|2,0,2]=4 94 B14R1.716 CCC(C)OCCOc1ccccc1 34a_100000210260_100011215416 [0,0,0,0,0,0|2,0,2]=4 95 B14R1.716 CCC(C)OCCOc1ccccc1 7a_100000210228_100000184471 [0,0,0,0,0,0|2,0,2]=4 96 B14R1.716 CCC(C)OCCOc1ccccc1 7a_100000210260_100000758301 [0,0,0,0,0,0|2,0,2]=4 97 B14R1.716 CCC(C)OCCSc1ccccc1 7a_100000210228_100000246102 [0,0,0,0,0,0|2,0,2]=4 98 B14R1.716 CCC(C)OCCSc1ccccc1 7a_100000230494_100000758301 [0,0,0,0,0,0|2,0,2]=4 99 B14R1.716 CCC(C)SC/C=C/c1ccccc1 62a_100000758301_100016265936 [0,0,0,0,0,0|1,1,1]=3 100 B14R1.716 CCC(C)SC/C=C/c1ccccc1 62a_100016265936_100000758301 [0,0,0,0,0,0|1,1,1]=3 101 B14R1.716 CNC(=O)C=C/C=C/c1ccccc1 1626a_100102657272_100016289705 [0,0,0,0,0,0|2,0,1]=3 102 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,0,0,0,0,0|2,0,2]=4 103 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,0,0,0,0,0|2,0,2]=4 104 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,0,0,0,0,0|2,0,2]=4 105 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,0,0,0,0,0|2,0,2]=4 106 B14R1.716 CNC(=O)CCCNc1ccccc1 34a_100000106764_100000741757 [0,0,0,0,0,0|3,0,1]=4 107 B14R1.716 CNC(=O)CCCOc1ccccc1 11a_106832991635_100000212059 [0,0,0,0,0,0|3,0,1]=4 108 B14R1.716 CNC(=O)CCCOc1ccccc1 1626a_100102657272_100000212059 [0,0,0,0,0,0|3,0,1]=4 109 B14R1.716 CNC(=O)CCCOc1ccccc1 240690a_100102657272_100000212059 [0,0,0,0,0,0|3,0,1]=4 110 B14R1.716 CNC(=O)CCCOc1ccccc1 34a_100000210340_100000741757 [0,0,0,0,0,0|3,0,1]=4 111 B14R1.716 CNC(=O)CCCOc1ccccc1 527a_100102657272_100000212059 [0,0,0,0,0,0|3,0,1]=4 112 B14R1.716 CNC(=O)CCCOc1ccccc1 7a_100000210340_100000741757 [0,0,0,0,0,0|3,0,1]=4 113 B14R1.716 CNC(=O)CCCSc1ccccc1 11a_106832991635_100000182835 [0,0,0,0,0,0|3,0,1]=4 114 B14R1.716 CNC(=O)CCCSc1ccccc1 1626a_100102657272_100000182835 [0,0,0,0,0,0|3,0,1]=4 115 B14R1.716 CNC(=O)CCCSc1ccccc1 240690a_100102657272_100000182835 [0,0,0,0,0,0|3,0,1]=4 116 B14R1.716 CNC(=O)CCCSc1ccccc1 527a_100102657272_100000182835 [0,0,0,0,0,0|3,0,1]=4 117 B14R1.716 CNC(=O)CCCSc1ccccc1 62a_100000719477_100000741757 [0,0,0,0,0,0|3,0,1]=4 118 B14R1.716 CNC(=O)CCCSc1ccccc1 62a_100000741757_100000041952 [0,0,0,0,0,0|3,0,1]=4 119 B14R1.716 CNC(=O)CCNCc1ccccc1 207a_100000738227_100015611070 [0,0,0,0,0,0|3,0,1]=4 120 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100000738227_100015291786 [0,0,0,0,0,0|3,0,1]=4 121 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737683 [0,0,0,0,0,0|3,0,1]=4 122 B14R1.716 CNC(=O)CCNCc1ccccc1 270004a_100000738227_100015611070 [0,0,0,0,0,0|3,0,1]=4 123 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100000738227_100015291786 [0,0,0,0,0,0|3,0,1]=4 124 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100015324214_100012179268 [0,0,0,0,0,0|3,0,1]=4 125 B14R1.716 CNC(=O)CCOCc1ccccc1 11a_106832991635_100000743319 [0,0,0,0,0,0|3,0,1]=4 126 B14R1.716 CNC(=O)CCOCc1ccccc1 1626a_100102657272_100000743319 [0,0,0,0,0,0|3,0,1]=4 127 B14R1.716 CNC(=O)CCOCc1ccccc1 240690a_100102657272_100000743319 [0,0,0,0,0,0|3,0,1]=4 128 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000210790_100012179268 [0,0,0,0,0,0|3,0,1]=4 129 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000754576_100015291786 [0,0,0,0,0,0|3,0,1]=4 130 B14R1.716 CNC(=O)CCOCc1ccccc1 527a_100102657272_100000743319 [0,0,0,0,0,0|3,0,1]=4 131 B14R1.716 CNC(=O)CCOCc1ccccc1 7a_100000210790_100000737683 [0,0,0,0,0,0|3,0,1]=4 132 B14R1.716 CNC(=O)CCSCc1ccccc1 11a_106832991635_100000173759 [0,0,0,0,0,0|3,0,1]=4 133 B14R1.716 CNC(=O)CCSCc1ccccc1 1626a_100102657272_100000173759 [0,0,0,0,0,0|3,0,1]=4 134 B14R1.716 CNC(=O)CCSCc1ccccc1 240690a_100102657272_100000173759 [0,0,0,0,0,0|3,0,1]=4 135 B14R1.716 CNC(=O)CCSCc1ccccc1 527a_100102657272_100000173759 [0,0,0,0,0,0|3,0,1]=4 136 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000211182_100000737683 [0,0,0,0,0,0|3,0,1]=4 137 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000737683_100015291786 [0,0,0,0,0,0|3,0,1]=4 138 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_106832991635 [0,0,0,0,0,0|2,0,0]=2 139 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 2708a_100102657272_100020603302 [0,0,0,0,0,0|2,0,0]=2 140 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100102657272 [0,0,0,0,0,0|2,0,0]=2 141 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 273464a_100102657272_100020603302 [0,0,0,0,0,0|2,0,0]=2 142 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100102657272 [0,0,0,0,0,0|2,0,0]=2 143 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 512a_106832991638_100020603302 [0,0,0,0,0,0|2,0,0]=2 144 B14R1.716 CNC(=O)NCC#Cc1ccccc1 2708a_100000735379_106832991635 [0,0,0,0,0,0|2,0,2]=4 145 B14R1.716 CNC(=O)NCC#Cc1ccccc1 2708a_100102657272_100000735379 [0,0,0,0,0,0|2,0,2]=4 146 B14R1.716 CNC(=O)NCC#Cc1ccccc1 273464a_100000735379_100102657272 [0,0,0,0,0,0|2,0,2]=4 147 B14R1.716 CNC(=O)NCC#Cc1ccccc1 273464a_100102657272_100000735379 [0,0,0,0,0,0|2,0,2]=4 148 B14R1.716 CNC(=O)NCC#Cc1ccccc1 512a_100000735379_100102657272 [0,0,0,0,0,0|2,0,2]=4 149 B14R1.716 CNC(=O)NCC#Cc1ccccc1 512a_106832991638_100000735379 [0,0,0,0,0,0|2,0,2]=4 150 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100000211184_106832991635 [0,0,0,0,0,0|2,0,2]=4 151 B14R1.716 CNC(=O)NCCCc1ccccc1 2708a_100102657272_100000211184 [0,0,0,0,0,0|2,0,2]=4 152 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100000211184_100102657272 [0,0,0,0,0,0|2,0,2]=4 153 B14R1.716 CNC(=O)NCCCc1ccccc1 273464a_100102657272_100000211184 [0,0,0,0,0,0|2,0,2]=4 154 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_100000211184_100102657272 [0,0,0,0,0,0|2,0,2]=4 155 B14R1.716 CNC(=O)NCCCc1ccccc1 512a_106832991638_100000211184 [0,0,0,0,0,0|2,0,2]=4 156 B14R1.716 CNC(=O)NCCOc1ccccc1 2708a_100000174943_106832991635 [0,0,0,0,0,0|3,0,1]=4 157 B14R1.716 CNC(=O)NCCOc1ccccc1 2708a_100102657272_100000174943 [0,0,0,0,0,0|3,0,1]=4 158 B14R1.716 CNC(=O)NCCOc1ccccc1 273464a_100000174943_100102657272 [0,0,0,0,0,0|3,0,1]=4 159 B14R1.716 CNC(=O)NCCOc1ccccc1 273464a_100102657272_100000174943 [0,0,0,0,0,0|3,0,1]=4 160 B14R1.716 CNC(=O)NCCOc1ccccc1 512a_100000174943_100102657272 [0,0,0,0,0,0|3,0,1]=4 161 B14R1.716 CNC(=O)NCCOc1ccccc1 512a_106832991638_100000174943 [0,0,0,0,0,0|3,0,1]=4 162 B14R1.716 CNC(=O)NCCSc1ccccc1 2708a_100000189519_106832991635 [0,0,0,0,0,0|3,0,1]=4 163 B14R1.716 CNC(=O)NCCSc1ccccc1 2708a_100102657272_100000189519 [0,0,0,0,0,0|3,0,1]=4 164 B14R1.716 CNC(=O)NCCSc1ccccc1 273464a_100000189519_100102657272 [0,0,0,0,0,0|3,0,1]=4 165 B14R1.716 CNC(=O)NCCSc1ccccc1 273464a_100102657272_100000189519 [0,0,0,0,0,0|3,0,1]=4 166 B14R1.716 CNC(=O)NCCSc1ccccc1 512a_100000189519_100102657272 [0,0,0,0,0,0|3,0,1]=4 167 B14R1.716 CNC(=O)NCCSc1ccccc1 512a_106832991638_100000189519 [0,0,0,0,0,0|3,0,1]=4 168 B14R1.716 CNC(=O)OCCNc1ccccc1 34a_100000106764_200011997002 [0,0,0,0,0,0|2,0,1]=3 169 B14R1.716 CNC(=O)OCCOc1ccccc1 34a_100000210340_200011997002 [0,0,0,0,0,0|2,0,1]=3 170 B14R1.716 CNC(=O)OCCOc1ccccc1 7a_100000210340_200011997002 [0,0,0,0,0,0|2,0,1]=3 171 B14R1.716 CNC(=O)OCCOc1cccnc1 34a_100000210849_200011997002 [0,0,0,0,0,0|3,0,1]=4 172 B14R1.716 CNC(=O)OCCOc1cccnc1 7a_100000210849_200011997002 [0,0,0,0,0,0|3,0,1]=4 173 B14R1.716 CNC(=O)OCCOc1ccncc1 34a_100000212176_200011997002 [0,0,0,0,0,0|3,0,1]=4 174 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_100000719477_200011997002 [0,0,0,0,0,0|2,0,1]=3 175 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_200011997002_100000041952 [0,0,0,0,0,0|2,0,1]=3 176 B14R1.716 CNC(=O)OCCSc1ccccn1 62a_100011216584_200011997002 [0,0,0,0,0,0|3,0,1]=4 177 B14R1.716 CNC(=O)OCCSc1ccccn1 62a_200011997002_100011216584 [0,0,0,0,0,0|3,0,1]=4 178 B14R1.716 CNC(=O)OCCSc1cccnc1 62a_100000210063_200011997002 [0,0,0,0,0,0|3,0,1]=4 179 B14R1.716 CNC(=O)OCCSc1cccnc1 62a_200011997002_100000210063 [0,0,0,0,0,0|3,0,1]=4 180 B14R1.716 CNC(=O)OCCSc1ccncc1 62a_100000728582_200011997002 [0,0,0,0,0,0|3,0,1]=4 181 B14R1.716 CNC(=O)OCCSc1ccncc1 62a_200011997002_100000728582 [0,0,0,0,0,0|3,0,1]=4 182 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,0,0,0,0,0|3,0,1]=4 183 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,0,0,0,0,0|3,0,1]=4 184 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,0,0,0,0,0|3,0,1]=4 185 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,0,0,0,0,0|3,0,1]=4 186 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,0,0,0,0,0|3,0,1]=4 187 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,0,0,0,0,0|3,0,1]=4 188 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,0,0,0,0,0|3,0,1]=4 189 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,0,0,0,0,0|3,0,1]=4 190 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,0,0,0,0,0|3,0,1]=4 191 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,0,0,0,0,0|3,0,1]=4 192 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,0,0,0,0,0|3,0,1]=4 193 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [0,0,0,0,0,0|2,0,1]=3 194 B14R1.716 COC(=O)OCSCc1ccccn1 62a_100000721315_100000139417 [0,0,0,0,0,0|3,0,1]=4 195 B14R1.716 COC(=O)OCSCc1cccnc1 62a_100000741622_100000139417 [0,0,0,0,0,0|3,0,1]=4 196 B14R1.716 COC(=O)OCSCc1ccncc1 62a_100015193705_100000139417 [0,0,0,0,0,0|3,0,1]=4 197 B14R1.716 COC(C)SC/C=C/c1ccccc1 62a_100009879195_100016265936 [0,0,0,0,0,0|2,1,1]=4 198 B14R1.716 COC(C)SC/C=C/c1ccccc1 62a_100016265936_100009879195 [0,0,0,0,0,0|2,1,1]=4 199 B14R1.716 C[C@H](CF)NCC=Cc1ccccc1 270004a_100102880703_100000210105 [0,0,0,0,0,0|3,0,1]=4 200 B14R1.716 C[C@H](CO)NC/C=C/c1ccccc1 2230a_100000737577_100016265936 [0,0,0,0,0,0|3,0,1]=4 201 B14R1.716 C[C@H](CO)NCC=Cc1ccccc1 270004a_100000737577_100000210105 [0,0,0,0,0,0|3,0,1]=4 202 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016084084_100016265936 [0,0,0,0,0,0|2,1,1]=4 203 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016265936_100016084084 [0,0,0,0,0,0|2,1,1]=4 204 B14R1.716 O=C(C=C/C=C/c1ccccc1)CF 1458a_100016289705_100015361967 [0,0,0,0,0,0|2,0,1]=3 205 B14R1.716 O=C(CF)CCCCc1ccccc1 1458a_100011215911_100015361967 [0,0,0,0,0,0|2,0,2]=4 206 B14R1.716 O=C(CF)CCCOc1ccccc1 1458a_100000212059_100015361967 [0,0,0,0,0,0|3,0,1]=4 207 B14R1.716 O=C(CF)CCCSc1ccccc1 1458a_100000182835_100015361967 [0,0,0,0,0,0|3,0,1]=4 208 B14R1.716 O=C(CF)CCOCc1ccccc1 1458a_100000743319_100015361967 [0,0,0,0,0,0|3,0,1]=4 209 B14R1.716 O=C(CF)CCSCc1ccccc1 1458a_100000173759_100015361967 [0,0,0,0,0,0|3,0,1]=4 210 B14R1.716 O=C(CO)CCCCc1ccccc1 1458a_100000210174_100000701786 [0,0,0,0,0,0|2,0,2]=4 211 B14R1.716 O=C(CO)CCCOc1ccccc1 1458a_100000210174_100000199009 [0,0,0,0,0,0|3,0,1]=4 212 B14R1.716 O=C(CO)CCCSc1ccccc1 1458a_100000210174_200011203293 [0,0,0,0,0,0|3,0,1]=4 213 B14R1.716 O=C(CO)CCOCc1ccccc1 1458a_100000210174_100000234347 [0,0,0,0,0,0|3,0,1]=4 214 B14R1.716 O=C(CO)CCSCc1ccccc1 1458a_100000210174_200011297719 [0,0,0,0,0,0|3,0,1]=4 215 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 240690a_100020603302_100000210174 [0,0,0,0,0,0|2,0,0]=2 216 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 527a_100020603302_100000210174 [0,0,0,0,0,0|2,0,0]=2 217 B14R1.716 O=C(CO)NCC#Cc1ccccc1 240690a_100000735379_100000210174 [0,0,0,0,0,0|2,0,2]=4 218 B14R1.716 O=C(CO)NCC#Cc1ccccc1 527a_100000735379_100000210174 [0,0,0,0,0,0|2,0,2]=4 219 B14R1.716 O=C(CO)NCCCc1ccccc1 240690a_100000211184_100000210174 [0,0,0,0,0,0|2,0,2]=4 220 B14R1.716 O=C(CO)NCCCc1ccccc1 527a_100000211184_100000210174 [0,0,0,0,0,0|2,0,2]=4 221 B14R1.716 O=C(CO)NCCOc1ccccc1 240690a_100000174943_100000210174 [0,0,0,0,0,0|3,0,1]=4 222 B14R1.716 O=C(CO)NCCOc1ccccc1 527a_100000174943_100000210174 [0,0,0,0,0,0|3,0,1]=4 223 B14R1.716 O=C(CO)NCCSc1ccccc1 240690a_100000189519_100000210174 [0,0,0,0,0,0|3,0,1]=4 224 B14R1.716 O=C(CO)NCCSc1ccccc1 527a_100000189519_100000210174 [0,0,0,0,0,0|3,0,1]=4 225 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [1,0,0,0,0,0|1,0,1]=3 226 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210247_100016265936 [1,0,0,0,0,0|0,0,3]=4 227 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210256_100000184674 [1,0,0,0,0,0|0,0,3]=4 228 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_100000210256_100015514636 [1,0,0,0,0,0|0,0,3]=4 229 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_200000210373_100016265936 [1,0,0,0,0,0|0,0,3]=4 230 B13R1.28 CC/C=C\CCNc1ccccc1 34a_100000106764_100015370543 [1,0,0,0,0,0|2,0,1]=4 231 B13R1.28 CC/C=C\CCOc1ccccc1 34a_100000210340_100015370543 [1,0,0,0,0,0|2,0,1]=4 232 B13R1.28 CC/C=C\CCOc1ccccc1 7a_100000210340_100015370543 [1,0,0,0,0,0|2,0,1]=4 233 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100000719477_100015370543 [1,0,0,0,0,0|2,0,1]=4 234 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100015370543_100000041952 [1,0,0,0,0,0|2,0,1]=4 235 B13R1.28 CC/C=C\CNCc1ccccc1 2230a_100015324214_100103147603 [1,0,0,0,0,0|2,0,1]=4 236 B13R1.28 CC/C=C\CNCc1ccccc1 34a_100015324214_100103147603 [1,0,0,0,0,0|2,0,1]=4 237 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [1,0,0,0,0,0|2,0,1]=4 238 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [1,0,0,0,0,0|2,0,1]=4 239 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [1,0,0,0,0,0|2,0,1]=4 240 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100000211182_100103147603 [1,0,0,0,0,0|2,0,1]=4 241 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100103147603_100015291786 [1,0,0,0,0,0|2,0,1]=4 242 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [1,0,0,0,0,0|1,0,1]=3 243 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [1,0,0,0,0,0|2,0,1]=4 244 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [1,0,0,0,0,0|2,0,1]=4 245 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [1,0,0,0,0,0|2,0,1]=4 246 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [1,0,0,0,0,0|1,0,1]=3 247 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [1,0,0,0,0,0|1,0,1]=3 248 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [1,0,0,0,0,0|1,0,1]=3 249 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [1,0,0,0,0,0|0,0,1]=2 250 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [1,0,0,0,0,0|0,0,1]=2 251 B13R1.28 CCCOC/C=C/c1cccnc1 34a_200102594124_100000210303 [1,0,0,0,0,0|1,0,1]=3 252 B13R1.28 CCCOCC#Cc1ccccc1 34a_100000210258_100011352542 [1,0,0,0,0,0|0,0,3]=4 253 B13R1.28 CCCOCC#Cc1ccccc1 34a_100011217464_100000210303 [1,0,0,0,0,0|0,0,3]=4 254 B13R1.28 CCCOCC#Cc1ccccc1 7a_100011217464_100000210303 [1,0,0,0,0,0|0,0,3]=4 255 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [1,0,0,0,0,0|0,0,3]=4 256 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [1,0,0,0,0,0|0,0,3]=4 257 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [1,0,0,0,0,0|0,0,3]=4 258 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [1,0,0,0,0,0|1,0,2]=4 259 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [1,0,0,0,0,0|1,0,2]=4 260 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [1,0,0,0,0,0|1,0,2]=4 261 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [1,0,0,0,0,0|1,0,2]=4 262 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [1,0,0,0,0,0|1,0,2]=4 263 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [1,0,0,0,0,0|1,0,2]=4 264 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [1,0,0,0,0,0|1,0,2]=4 265 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [1,0,0,0,0,0|1,0,2]=4 266 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [1,0,0,0,0,0|1,0,2]=4 267 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [1,0,0,0,0,0|1,0,2]=4 268 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [1,0,0,0,0,0|1,0,2]=4 269 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [1,0,0,0,0,0|1,0,2]=4 270 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [1,0,0,0,0,0|1,0,2]=4 271 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [1,0,0,0,0,0|0,1,1]=3 272 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [1,0,0,0,0,0|0,1,1]=3 273 B13R1.28 CCNN=CC=Cc1ccccc1 4a_100000756455_100000210105 [1,0,0,0,0,0|2,0,1]=4 274 B13R1.28 COCNC/C=C/c1ccccc1 2230a_100020603302_100000766300 [1,0,0,0,0,0|2,0,1]=4 275 B13R1.28 COCSC/C=C/c1ccccc1 62a_100000766300_100016265936 [1,0,0,0,0,0|1,1,1]=4 276 B13R1.28 COCSC/C=C/c1ccccc1 62a_100016265936_100000766300 [1,0,0,0,0,0|1,1,1]=4 277 B13R1.28 CSCNC/C=C/c1ccccc1 2230a_100020603302_100011218213 [1,0,0,0,0,0|2,0,1]=4 278 B13R1.28 CSCNC/C=C/c1ccccc1 34a_100020603302_100011218213 [1,0,0,0,0,0|2,0,1]=4 279 B13R1.28 CSCOC/C=C/c1ccccc1 34a_100000210256_100011218213 [1,0,0,0,0,0|1,0,1]=3 280 B13R1.28 CSCOC/C=C/c1cccnc1 34a_200102594124_100011218213 [1,0,0,0,0,0|2,0,1]=4 281 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100011218213_100016265936 [1,0,0,0,0,0|1,1,1]=4 282 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100016265936_100011218213 [1,0,0,0,0,0|1,1,1]=4 283 B13R1.28 FCCNC/C=C/c1ccccc1 2230a_100020603302_100011217306 [1,0,0,0,0,0|2,0,1]=4 284 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100000724931_100016265936 [1,0,0,0,0,0|2,0,1]=4 285 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100020603302_100011217306 [1,0,0,0,0,0|2,0,1]=4 286 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [1,0,0,0,0,0|1,0,1]=3 287 B13R1.28 FCCOC/C=C/c1cccnc1 34a_200102594124_100011217306 [1,0,0,0,0,0|2,0,1]=4 288 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100011217306_100016265936 [1,0,0,0,0,0|1,1,1]=4 289 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100016265936_100011217306 [1,0,0,0,0,0|1,1,1]=4 290 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [1,0,0,0,0,0|1,0,1]=3 291 B13R1.28 O=CCOC/C=C/c1ccccc1 34a_100000210256_200009817547 [1,0,0,0,0,0|1,0,2]=4 292 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100016997473_100016265936 [1,0,0,0,0,0|2,0,1]=4 293 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211926 [1,0,0,0,0,0|2,0,1]=4 294 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100016990907_100016265936 [1,0,0,0,0,0|2,0,1]=4 295 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100020603302_100000211926 [1,0,0,0,0,0|2,0,1]=4 296 B13R1.28 OCCNCC=Cc1ccccc1 270004a_100000210304_100000210105 [1,0,0,0,0,0|2,0,1]=4 297 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [1,0,0,0,0,0|1,0,1]=3 298 B13R1.28 OCCOC/C=C/c1cccnc1 34a_200102594124_100000211926 [1,0,0,0,0,0|2,0,1]=4 299 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100000211926_100016265936 [1,0,0,0,0,0|1,1,1]=4 300 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100016265936_100000211926 [1,0,0,0,0,0|1,1,1]=4 301 B13R1.337 CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200000210301 [1,0,0,0,0,0|1,0,1]=3 302 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [1,0,0,0,0,0|1,0,2]=4 303 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [1,0,0,0,0,0|1,0,2]=4 304 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [1,0,0,0,0,0|2,0,1]=4 306 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [1,0,0,0,0,0|2,0,1]=4 308 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [1,0,0,0,0,0|2,0,1]=4 309 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [1,0,0,0,0,0|2,0,1]=4 310 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [1,0,0,0,0,0|2,0,1]=4 312 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [1,0,0,0,0,0|2,0,1]=4 313 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [1,0,0,0,0,0|2,0,1]=4 314 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [1,0,0,0,0,0|2,0,1]=4 316 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [1,0,0,0,0,0|2,0,1]=4 317 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [1,0,0,0,0,0|2,0,1]=4 318 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [1,0,0,0,0,0|2,0,1]=4 319 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [1,0,0,0,0,0|2,0,1]=4 321 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [1,0,0,0,0,0|2,0,1]=4 322 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [1,0,0,0,0,0|1,0,0]=2 323 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [1,0,0,0,0,0|1,0,0]=2 324 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [1,0,0,0,0,0|1,0,0]=2 325 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [1,0,0,0,0,0|1,0,0]=2 326 B13R1.337 CC(=O)NCC#Cc1ccccc1 11a_100000735379_100015343762 [1,0,0,0,0,0|1,0,2]=4 327 B13R1.337 CC(=O)NCC#Cc1ccccc1 1626a_100000735379_100015343762 [1,0,0,0,0,0|1,0,2]=4 328 B13R1.337 CC(=O)NCC#Cc1ccccc1 240690a_100000735379_100015343762 [1,0,0,0,0,0|1,0,2]=4 329 B13R1.337 CC(=O)NCC#Cc1ccccc1 527a_100000735379_100103153847 [1,0,0,0,0,0|1,0,2]=4 330 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [1,0,0,0,0,0|1,0,2]=4 331 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [1,0,0,0,0,0|1,0,2]=4 332 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [1,0,0,0,0,0|1,0,2]=4 333 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [1,0,0,0,0,0|1,0,2]=4 334 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [1,0,0,0,0,0|2,0,1]=4 335 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [1,0,0,0,0,0|2,0,1]=4 336 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [1,0,0,0,0,0|2,0,1]=4 337 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [1,0,0,0,0,0|2,0,1]=4 338 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [1,0,0,0,0,0|2,0,1]=4 339 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [1,0,0,0,0,0|2,0,1]=4 340 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [1,0,0,0,0,0|2,0,1]=4 341 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [1,0,0,0,0,0|2,0,1]=4 342 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [1,0,0,0,0,0|2,0,1]=4 343 B13R1.337 CC(=O)NN=CCc1ccccc1 4a_100000189765_100000209964 [1,0,0,0,0,0|2,0,1]=4 344 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [1,0,0,0,0,0|0,0,0]=1 345 B13R1.337 CC(=O)OCC=Cc1ccccn1 271570a_200000047263_100011216584 [1,0,0,0,0,0|1,0,0]=2 346 B13R1.337 CC(=O)OCC=Cc1cccnc1 271570a_200000047263_100000752921 [1,0,0,0,0,0|1,0,0]=2 347 B13R1.337 CC(=O)OCC=Cc1cccnn1 271570a_200000047263_100016991348 [1,0,0,0,0,0|2,0,0]=3 348 B13R1.337 CC(=O)OCC=Cc1ccncc1 271570a_200000047263_100000035832 [1,0,0,0,0,0|1,0,0]=2 349 B13R1.337 CC(=O)OCC=Cc1ccncn1 271570a_200000047263_100000703185 [1,0,0,0,0,0|2,0,0]=3 350 B13R1.337 CC(=O)OCC=Cc1ccnnc1 271570a_200000047263_100000732662 [1,0,0,0,0,0|2,0,0]=3 351 B13R1.337 CC(=O)OCC=Cc1cnccn1 271570a_200000047263_100000758340 [1,0,0,0,0,0|2,0,0]=3 352 B13R1.337 CC(=O)OCC=Cc1cncnc1 271570a_200000047263_100011206942 [1,0,0,0,0,0|2,0,0]=3 353 B13R1.337 CC(=O)OCC=Cc1cnnnc1 271570a_200000047263_100009846058 [1,0,0,0,0,0|3,0,0]=4 354 B13R1.337 CC(=O)OCC=Cc1ncccn1 271570a_200000047263_100000211032 [1,0,0,0,0,0|2,0,0]=3 355 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [1,0,0,0,0,0|1,0,1]=3 356 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [1,0,0,0,0,0|1,0,1]=3 357 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [1,0,0,0,0,0|1,0,1]=3 358 B13R1.337 CC(=O)OCCOc1cccnc1 34a_100000210849_100009814007 [1,0,0,0,0,0|2,0,1]=4 359 B13R1.337 CC(=O)OCCOc1cccnc1 7a_100000210849_100009814007 [1,0,0,0,0,0|2,0,1]=4 360 B13R1.337 CC(=O)OCCOc1ccncc1 34a_100000212176_100009814007 [1,0,0,0,0,0|2,0,1]=4 361 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [1,0,0,0,0,0|1,0,1]=3 362 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [1,0,0,0,0,0|1,0,1]=3 363 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100009814007_100011216584 [1,0,0,0,0,0|2,0,1]=4 364 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100011216584_100009814007 [1,0,0,0,0,0|2,0,1]=4 365 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100000210063_100009814007 [1,0,0,0,0,0|2,0,1]=4 366 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100009814007_100000210063 [1,0,0,0,0,0|2,0,1]=4 367 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100000728582_100009814007 [1,0,0,0,0,0|2,0,1]=4 368 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100009814007_100000728582 [1,0,0,0,0,0|2,0,1]=4 369 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [1,0,0,0,0,0|1,0,1]=3 370 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [1,0,0,0,0,0|1,0,1]=3 371 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [1,0,0,0,0,0|1,0,1]=3 372 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [1,0,0,0,0,0|1,0,1]=3 373 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [1,0,0,0,0,0|2,0,1]=4 374 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [1,0,0,0,0,0|2,0,1]=4 375 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [1,0,0,0,0,0|2,0,1]=4 376 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [1,0,0,0,0,0|2,0,1]=4 377 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100000076356_100015193705 [1,0,0,0,0,0|2,0,1]=4 378 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100015193705_100000076356 [1,0,0,0,0,0|2,0,1]=4 379 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000210206 [1,0,0,0,0,0|2,0,1]=4 380 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100138425928_100016265936 [1,0,0,0,0,0|2,0,1]=4 381 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000210206 [1,0,0,0,0,0|2,0,1]=4 382 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100138425928_100016265936 [1,0,0,0,0,0|2,0,1]=4 383 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000210206 [1,0,0,0,0,0|1,0,1]=3 384 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000212225_100016265936 [1,0,0,0,0,0|1,0,1]=3 385 B13R1.337 CC(C)OC/C=C/c1cccnc1 34a_200102594124_100000210206 [1,0,0,0,0,0|2,0,1]=4 386 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100000210206_100016265936 [1,0,0,0,0,0|1,1,1]=4 387 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000210206 [1,0,0,0,0,0|1,1,1]=4 388 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [1,0,0,0,0,0|2,0,1]=4 389 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [1,0,0,0,0,0|2,0,1]=4 390 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [1,0,0,0,0,0|2,0,1]=4 391 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [1,0,0,0,0,0|2,0,1]=4 392 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [1,0,0,0,0,0|2,0,1]=4 393 B13R1.337 [13CH3]C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200025704644 [1,0,0,0,0,0|1,0,1]=3 394 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [1,0,0,0,0,0|1,0,2]=4 395 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [1,0,0,0,0,0|2,0,1]=4 396 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [1,0,0,0,0,0|2,0,1]=4 397 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [1,0,0,0,0,0|2,0,1]=4 398 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B15R1.26 CCC(=O)CCCCc1ccc(cc1)Br 1458a_100000210414_200012094861 [0,1,0,0,0,0|1,0,2]=4 400 B15R1.26 CCC(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_100000210202 [0,1,0,0,0,0|1,0,2]=4 401 B15R1.26 CCC(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_100000210202 [0,1,0,0,0,0|1,0,2]=4 402 B15R1.26 CCC(=O)CCCCc1ccc(cc1)F 1458a_100000210414_100012093538 [0,1,0,0,0,0|1,0,2]=4 403 B15R1.26 CCC(=O)CCCCc1ccc(cc1)F 1458a_100000703604_100000210202 [0,1,0,0,0,0|1,0,2]=4 404 B15R1.26 CCC(=O)CCCCc1ccc(cc1)I 1458a_100000749853_100000210202 [0,1,0,0,0,0|1,0,2]=4 405 B15R1.26 CCC(=O)CCCCc1ccc(cc1)O 1458a_100000047048_100000210202 [0,1,0,0,0,0|1,0,2]=4 406 B15R1.26 CCC(=O)CCCOc1ccc(cc1)Br 1458a_100000183208_100000210202 [0,1,0,0,0,0|2,0,1]=4 407 B15R1.26 CCC(=O)CCCOc1ccc(cc1)Br 1458a_100000210414_100011259224 [0,1,0,0,0,0|2,0,1]=4 408 B15R1.26 CCC(=O)CCCOc1ccc(cc1)C 1458a_100000182836_100000210202 [0,1,0,0,0,0|2,0,1]=4 409 B15R1.26 CCC(=O)CCCOc1ccc(cc1)Cl 1458a_100000741531_100000210202 [0,1,0,0,0,0|2,0,1]=4 410 B15R1.26 CCC(=O)CCCOc1ccc(cc1)F 1458a_100000210414_100000181347 [0,1,0,0,0,0|2,0,1]=4 411 B15R1.26 CCC(=O)CCCOc1ccc(cc1)F 1458a_100000735736_100000210202 [0,1,0,0,0,0|2,0,1]=4 412 B15R1.26 CCC(=O)CCCOc1ccc(cc1)I 1458a_100000744034_100000210202 [0,1,0,0,0,0|2,0,1]=4 413 B15R1.26 CCC(=O)CCCSc1ccc(cc1)Br 1458a_100000753536_100000210202 [0,1,0,0,0,0|2,0,1]=4 414 B15R1.26 CCC(=O)CCCSc1ccc(cc1)Cl 1458a_100000182790_100000210202 [0,1,0,0,0,0|2,0,1]=4 415 B15R1.26 CCC(=O)CCSCc1ccc(cc1)C 1458a_200000173737_100000210202 [0,1,0,0,0,0|2,0,1]=4 416 B15R1.26 CCC(=O)NCC#Cc1ccc(cc1)Cl 11a_100011352944_100000210414 [0,1,0,0,0,0|1,0,2]=4 417 B15R1.26 CCC(=O)NCC#Cc1ccc(cc1)Cl 1626a_100011352944_100000210414 [0,1,0,0,0,0|1,0,2]=4 418 B15R1.26 CCC(=O)NCC#Cc1ccc(cc1)Cl 527a_100011352944_100000210414 [0,1,0,0,0,0|1,0,2]=4 419 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Br 11a_100011297623_100000210414 [0,1,0,0,0,0|1,0,2]=4 420 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Br 1626a_100011297623_100000210414 [0,1,0,0,0,0|1,0,2]=4 421 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Br 240690a_100011297623_100000210414 [0,1,0,0,0,0|1,0,2]=4 422 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Br 527a_100011297623_100000210414 [0,1,0,0,0,0|1,0,2]=4 423 B15R1.26 CCC(=O)NCCCc1ccc(cc1)C 11a_100011236272_100000210414 [0,1,0,0,0,0|1,0,2]=4 424 B15R1.26 CCC(=O)NCCCc1ccc(cc1)C 1626a_100011236272_100000210414 [0,1,0,0,0,0|1,0,2]=4 425 B15R1.26 CCC(=O)NCCCc1ccc(cc1)C 240690a_100011236272_100000210414 [0,1,0,0,0,0|1,0,2]=4 426 B15R1.26 CCC(=O)NCCCc1ccc(cc1)C 527a_100011236272_100000210414 [0,1,0,0,0,0|1,0,2]=4 427 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Cl 11a_100000748451_100000210414 [0,1,0,0,0,0|1,0,2]=4 428 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Cl 1626a_100000748451_100000210414 [0,1,0,0,0,0|1,0,2]=4 429 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Cl 240690a_100000748451_100000210414 [0,1,0,0,0,0|1,0,2]=4 430 B15R1.26 CCC(=O)NCCCc1ccc(cc1)Cl 527a_100000748451_100000210414 [0,1,0,0,0,0|1,0,2]=4 431 B15R1.26 CCC(=O)NCCCc1ccc(cc1)F 11a_100025745824_100000210414 [0,1,0,0,0,0|1,0,2]=4 432 B15R1.26 CCC(=O)NCCCc1ccc(cc1)F 1626a_100025745824_100000210414 [0,1,0,0,0,0|1,0,2]=4 433 B15R1.26 CCC(=O)NCCCc1ccc(cc1)F 240690a_100025745824_100000210414 [0,1,0,0,0,0|1,0,2]=4 434 B15R1.26 CCC(=O)NCCCc1ccc(cc1)F 527a_100025745824_100000210414 [0,1,0,0,0,0|1,0,2]=4 435 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Br 11a_100000746992_100000210414 [0,1,0,0,0,0|2,0,1]=4 436 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Br 1626a_100000746992_100000210414 [0,1,0,0,0,0|2,0,1]=4 437 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Br 240690a_100000746992_100000210414 [0,1,0,0,0,0|2,0,1]=4 438 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Br 527a_100000746992_100000210414 [0,1,0,0,0,0|2,0,1]=4 439 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C 11a_100020666663_100000210414 [0,1,0,0,0,0|2,0,1]=4 440 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C 1626a_100020666663_100000210414 [0,1,0,0,0,0|2,0,1]=4 441 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C 240690a_100020666663_100000210414 [0,1,0,0,0,0|2,0,1]=4 442 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C 527a_100020666663_100000210414 [0,1,0,0,0,0|2,0,1]=4 443 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl 11a_100000697975_100000210414 [0,1,0,0,0,0|2,0,1]=4 444 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl 1626a_100000697975_100000210414 [0,1,0,0,0,0|2,0,1]=4 445 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl 240690a_100000697975_100000210414 [0,1,0,0,0,0|2,0,1]=4 446 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl 527a_100000697975_100000210414 [0,1,0,0,0,0|2,0,1]=4 447 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F 11a_100000737420_100000210414 [0,1,0,0,0,0|2,0,1]=4 448 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F 1626a_100000737420_100000210414 [0,1,0,0,0,0|2,0,1]=4 449 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F 240690a_100000737420_100000210414 [0,1,0,0,0,0|2,0,1]=4 450 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F 527a_100000737420_100000210414 [0,1,0,0,0,0|2,0,1]=4 451 B15R1.26 CCC(=O)NCCSc1ccc(cc1)Br 240690a_100000184645_100000210414 [0,1,0,0,0,0|2,0,1]=4 452 B15R1.26 CCC(=O)NCCSc1ccc(cc1)Br 527a_100000184645_100000210414 [0,1,0,0,0,0|2,0,1]=4 453 B15R1.26 CCC(=O)NCCSc1ccc(cc1)C 11a_100000739754_100000210414 [0,1,0,0,0,0|2,0,1]=4 454 B15R1.26 CCC(=O)NCCSc1ccc(cc1)C 240690a_100000739754_100000210414 [0,1,0,0,0,0|2,0,1]=4 455 B15R1.26 CCC(=O)NCCSc1ccc(cc1)C 527a_100000739754_100000210414 [0,1,0,0,0,0|2,0,1]=4 456 B15R1.26 CCC(=O)NCCSc1ccc(cc1)Cl 11a_100000174974_100000210414 [0,1,0,0,0,0|2,0,1]=4 457 B15R1.26 CCC(=O)NCCSc1ccc(cc1)Cl 240690a_100000174974_100000210414 [0,1,0,0,0,0|2,0,1]=4 458 B15R1.26 CCC(=O)NCCSc1ccc(cc1)Cl 527a_100000174974_100000210414 [0,1,0,0,0,0|2,0,1]=4 459 B15R1.26 CCC(=O)NN=CCc1ccc(cc1)Br 4a_100000183195_100011361690 [0,1,0,0,0,0|2,0,1]=4 460 B15R1.26 CCC(=O)NN=CCc1ccc(cc1)C 4a_100000183195_100011361684 [0,1,0,0,0,0|2,0,1]=4 461 B15R1.26 CCC(=O)NN=CCc1ccc(cc1)Cl 4a_100000183195_100000730895 [0,1,0,0,0,0|2,0,1]=4 462 B15R1.26 CCC(=O)NN=CCc1ccc(cc1)F 4a_100000183195_100000684651 [0,1,0,0,0,0|2,0,1]=4 463 B15R1.26 CCC(C)NCC=Cc1ccc(cc1)Br 270004a_100000209981_100016291818 [0,1,0,0,0,0|2,0,1]=4 464 B15R1.26 CCC(C)NCC=Cc1ccc(cc1)C 270004a_100000209981_100016257026 [0,1,0,0,0,0|2,0,1]=4 465 B15R1.26 CCC(C)NCC=Cc1ccc(cc1)Cl 270004a_100000209981_100102525842 [0,1,0,0,0,0|2,0,1]=4 466 B15R1.26 CCC(C)NCC=Cc1ccc(cc1)F 270004a_100000209981_100016272083 [0,1,0,0,0,0|2,0,1]=4 467 B15R1.26 CNC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_200011997002 [0,1,0,0,0,0|2,0,1]=4 468 B15R1.26 CNC(=O)OCCNc1ccc(cc1)C 34a_100000124888_200011997002 [0,1,0,0,0,0|2,0,1]=4 469 B15R1.26 CNC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_200011997002 [0,1,0,0,0,0|2,0,1]=4 470 B15R1.26 CNC(=O)OCCNc1ccc(cc1)F 34a_100000185862_200011997002 [0,1,0,0,0,0|2,0,1]=4 471 B15R1.26 CNC(=O)OCCNc1ccc(cc1)I 34a_100000185761_200011997002 [0,1,0,0,0,0|2,0,1]=4 472 B15R1.26 CNC(=O)OCCNc1ccc(cc1)O 34a_100000185829_200011997002 [0,1,0,0,0,0|2,0,1]=4 473 B15R1.26 CNC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_200011997002 [0,1,0,0,0,0|2,0,1]=4 474 B15R1.26 CNC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_200011997002 [0,1,0,0,0,0|2,0,1]=4 475 B15R1.26 CNC(=O)OCCOc1ccc(cc1)C 34a_100000210336_200011997002 [0,1,0,0,0,0|2,0,1]=4 476 B15R1.26 CNC(=O)OCCOc1ccc(cc1)C 7a_100000210336_200011997002 [0,1,0,0,0,0|2,0,1]=4 477 B15R1.26 CNC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_200011997002 [0,1,0,0,0,0|2,0,1]=4 478 B15R1.26 CNC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_200011997002 [0,1,0,0,0,0|2,0,1]=4 479 B15R1.26 CNC(=O)OCCOc1ccc(cc1)F 34a_100000210339_200011997002 [0,1,0,0,0,0|2,0,1]=4 480 B15R1.26 CNC(=O)OCCOc1ccc(cc1)I 34a_100000212066_200011997002 [0,1,0,0,0,0|2,0,1]=4 481 B15R1.26 CNC(=O)OCCOc1ccc(cc1)I 7a_100000212066_200011997002 [0,1,0,0,0,0|2,0,1]=4 482 B15R1.26 CNC(=O)OCCOc1ccc(cc1)N 34a_100000185829_200011997002 [0,1,0,0,0,0|2,0,1]=4 483 B15R1.26 CNC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_200011997002 [0,1,0,0,0,0|2,0,1]=4 484 B15R1.26 CNC(=O)OCCSc1ccc(cc1)Br 62a_200011997002_100000752885 [0,1,0,0,0,0|2,0,1]=4 485 B15R1.26 CNC(=O)OCCSc1ccc(cc1)C 62a_100000186775_200011997002 [0,1,0,0,0,0|2,0,1]=4 486 B15R1.26 CNC(=O)OCCSc1ccc(cc1)C 62a_200011997002_100000186775 [0,1,0,0,0,0|2,0,1]=4 487 B15R1.26 CNC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_200011997002 [0,1,0,0,0,0|2,0,1]=4 488 B15R1.26 CNC(=O)OCCSc1ccc(cc1)Cl 62a_200011997002_100000755918 [0,1,0,0,0,0|2,0,1]=4 489 B15R1.26 CNC(=O)OCCSc1ccc(cc1)F 62a_100000211213_200011997002 [0,1,0,0,0,0|2,0,1]=4 490 B15R1.26 CNC(=O)OCCSc1ccc(cc1)F 62a_200011997002_100000211213 [0,1,0,0,0,0|2,0,1]=4 491 B15R1.26 CNC(=O)OCCSc1ccc(cc1)N 62a_100000185761_200011997002 [0,1,0,0,0,0|2,0,1]=4 492 B15R1.26 CNC(=O)OCCSc1ccc(cc1)N 62a_200011997002_100000185761 [0,1,0,0,0,0|2,0,1]=4 493 B15R1.26 CNC(=O)OCCSc1ccc(cc1)O 62a_200011997002_100000185759 [0,1,0,0,0,0|2,0,1]=4 494 B15R1.26 COC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000139417 [0,1,0,0,0,0|2,0,1]=4 495 B15R1.26 COC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000139417 [0,1,0,0,0,0|2,0,1]=4 496 B15R1.26 COC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000139417 [0,1,0,0,0,0|2,0,1]=4 497 B15R1.26 COC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000139417 [0,1,0,0,0,0|2,0,1]=4 498 B15R1.26 COC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000139417 [0,1,0,0,0,0|2,0,1]=4 499 B15R1.315 CC(C)(CCl)OC/C=C/c1ccccc1 7a_100000764493_100016265936 [0,1,0,0,0,0|2,0,1]=4 500 B15R1.315 CCC(C)(C)NC/C=C/c1ccccc1 2230a_100000211385_100016265936 [0,1,0,0,0,0|2,0,1]=4 501 B15R1.315 CCC(C)(C)NCC=Cc1ccccc1 270004a_100000211385_100000210105 [0,1,0,0,0,0|2,0,1]=4 502 B15R1.315 CCC(C)(C)OC/C=C/c1ccccc1 7a_100000210230_100016265936 [0,1,0,0,0,0|1,0,1]=3 503 B15R1.315 CCC(C)(C)SC/C=C/c1ccccc1 62a_100000032637_100016265936 [0,1,0,0,0,0|1,1,1]=4 504 B15R1.315 CCC(C)(C)SC/C=C/c1ccccc1 62a_100016265936_100000032637 [0,1,0,0,0,0|1,1,1]=4 505 B15R1.315 CCS(=O)(=O)NC/C=C/c1ccccc1 270084a_100020603302_100000211323 [0,1,0,0,0,0|2,0,0]=3 506 B15R1.315 CCS(=O)(=O)NC/C=C/c1ccccc1 274078a_100020603302_100000211323 [0,1,0,0,0,0|2,0,0]=3 507 B15R1.315 CCS(=O)(=O)NC/C=C/c1ccccc1 40a_100020603302_100000053943 [0,1,0,0,0,0|2,0,0]=3 508 B15R1.315 O=S(=O)(CCl)NC/C=C/c1ccccc1 270084a_100020603302_100000031410 [0,1,0,0,0,0|3,0,0]=4 509 B15R1.315 O=S(=O)(CCl)NC/C=C/c1ccccc1 274078a_100020603302_100000031410 [0,1,0,0,0,0|3,0,0]=4 510 B15R1.452 C#CC(CC)OC/C=C/c1ccccc1 34a_100000758843_100016265936 [0,1,0,0,0,0|1,0,1]=3 511 B15R1.452 C#CC(CC)OC/C=C/c1ccccc1 7a_100000758843_100016265936 [0,1,0,0,0,0|1,0,1]=3 512 B15R1.452 C=CC(CC)OC/C=C/c1ccccc1 34a_100000766422_100016265936 [0,1,0,0,0,0|1,0,1]=3 513 B15R1.452 C=CC(CC)OC/C=C/c1ccccc1 7a_100000766422_100016265936 [0,1,0,0,0,0|1,0,1]=3 514 B15R1.452 CCC(CC)NC/C=C/c1ccccc1 2230a_100000199018_100016265936 [0,1,0,0,0,0|2,0,1]=4 515 B15R1.452 CCC(CC)NC/C=C/c1ccccc1 270004a_100020603302_100000210860 [0,1,0,0,0,0|2,0,1]=4 516 B15R1.452 CCC(CC)NCC=Cc1ccccc1 270004a_100000199018_100000210105 [0,1,0,0,0,0|2,0,1]=4 517 B15R1.452 CCC(CC)OC/C=C/c1ccccc1 7a_100000688536_100016265936 [0,1,0,0,0,0|1,0,1]=3 518 B15R1.452 CCC(CC)SC/C=C/c1ccccc1 62a_100000210505_100016265936 [0,1,0,0,0,0|1,1,1]=4 519 B15R1.452 CCC(CC)SC/C=C/c1ccccc1 62a_100016265936_100000210505 [0,1,0,0,0,0|1,1,1]=4 520 B15R1.452 CC[C@@H](CO)NC/C=C/c1ccccc1 2230a_100000709445_100016265936 [0,1,0,0,0,0|1,0,2]=4 521 B15R1.452 CC[C@@H](CO)NCC=Cc1ccccc1 270004a_100000709445_100000210105 [0,1,0,0,0,0|1,0,2]=4 522 B15R1.452 ClCC(CCl)OC/C=C/c1ccccc1 7a_100000737055_100016265936 [0,1,0,0,0,0|2,0,1]=4 523 B15R1.452 FCC(CF)OC/C=C/c1ccccc1 34a_100000032261_100016265936 [0,1,0,0,0,0|2,0,1]=4 524 B15R1.452 FCC(CF)OC/C=C/c1ccccc1 7a_100000032261_100016265936 [0,1,0,0,0,0|2,0,1]=4 525 B15R1.452 FC[C@@H](CCl)OC/C=C/c1ccccc1 34a_100015614560_100016265936 [0,1,0,0,0,0|2,0,1]=4 526 B15R1.452 FC[C@@H](CCl)OC/C=C/c1ccccc1 7a_100015614560_100016265936 [0,1,0,0,0,0|2,0,1]=4 527 B15R1.452 NCC(CN)OC/C=C/c1ccccc1 34a_100000031598_100016265936 [0,1,0,0,0,0|2,0,1]=4 528 B15R1.452 O=CC(C=O)OC/C=C/c1ccccc1 34a_100000210256_100000736813 [0,1,0,0,0,0|1,0,2]=4 529 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747405 [0,1,0,0,0,0|1,0,1]=3 530 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000747405 [0,1,0,0,0,0|2,0,1]=4 531 B15R1.741 CCC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000747405 [0,1,0,0,0,0|2,0,1]=4 532 B15R1.741 CCC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000747405 [0,1,0,0,0,0|2,0,1]=4 533 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 11a_100000210798_100000210414 [0,1,0,0,0,0|1,0,2]=4 534 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100000210414 [0,1,0,0,0,0|1,0,2]=4 535 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100000210414 [0,1,0,0,0,0|1,0,2]=4 536 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 527a_100000210798_100000210414 [0,1,0,0,0,0|1,0,2]=4 537 B15R1.741 CCC(=O)NC(C)COc1ccccc1 11a_100000746794_100000210414 [0,1,0,0,0,0|2,0,1]=4 538 B15R1.741 CCC(=O)NC(C)COc1ccccc1 1626a_100000746794_100000210414 [0,1,0,0,0,0|2,0,1]=4 539 B15R1.741 CCC(=O)NC(C)COc1ccccc1 240690a_100000746794_100000210414 [0,1,0,0,0,0|2,0,1]=4 540 B15R1.741 CCC(=O)NC(C)COc1ccccc1 527a_100000746794_100000210414 [0,1,0,0,0,0|2,0,1]=4 541 B15R1.741 CNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183359 [0,1,0,0,0,0|2,0,1]=4 542 B15R1.741 COC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747449 [0,1,0,0,0,0|2,0,1]=4 543 B15R1.778 C#CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000184674 [0,1,0,0,0,0|1,0,2]=4 544 B15R1.778 C#CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100011220946 [0,1,0,0,0,0|1,0,1]=3 545 B15R1.778 C#CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100011220946 [0,1,0,0,0,0|1,0,1]=3 546 B15R1.778 C#CCC(C)OC/C=C/c1ccccc1 34a_100000685586_100016265936 [0,1,0,0,0,0|1,0,2]=4 547 B15R1.778 C#CCC(C)OC/C=C/c1ccccc1 7a_100000685586_100016265936 [0,1,0,0,0,0|1,0,2]=4 548 B15R1.778 C/C=C/C(C)OC/C=C/c1ccccc1 34a_200102604097_100016265936 [0,1,0,0,0,0|1,0,2]=4 549 B15R1.778 C=CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210623 [0,1,0,0,0,0|1,0,2]=4 550 B15R1.778 C=CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210193 [0,1,0,0,0,0|1,0,1]=3 551 B15R1.778 C=CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210193 [0,1,0,0,0,0|1,0,1]=3 552 B15R1.778 C=CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210193 [0,1,0,0,0,0|1,0,1]=3 553 B15R1.778 C=CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210193 [0,1,0,0,0,0|1,0,1]=3 554 B15R1.778 C=CC[C@@H](C)OC/C=C/c1ccccc1 34a_100000731007_100016265936 [0,1,0,0,0,0|1,0,2]=4 555 B15R1.778 C=CC[C@@H](C)OC/C=C/c1ccccc1 7a_100000731007_100016265936 [0,1,0,0,0,0|1,0,2]=4 556 B15R1.778 CC#CC(C)OC/C=C/c1ccccc1 34a_100011216543_100016265936 [0,1,0,0,0,0|1,0,2]=4 557 B15R1.778 CC(CCBr)OC/C=C/c1ccccc1 34a_100012276601_100016265936 [0,1,0,0,0,0|1,0,1]=3 558 B15R1.778 CC(CCO)NC/C=C/c1ccccc1 2230a_100020603302_100009893172 [0,1,0,0,0,0|2,0,1]=4 559 B15R1.778 CC(CCO)NC/C=C/c1ccccc1 34a_100020603302_100009893172 [0,1,0,0,0,0|2,0,1]=4 560 B15R1.778 CC(CCO)OC/C=C/c1ccccc1 34a_100000210256_100009893172 [0,1,0,0,0,0|1,0,1]=3 561 B15R1.778 CC(CCO)OC/C=C/c1cccnc1 34a_200102594124_100009893172 [0,1,0,0,0,0|2,0,1]=4 562 B15R1.778 CC(CCO)SC/C=C/c1ccccc1 62a_100009893172_100016265936 [0,1,0,0,0,0|1,1,1]=4 563 B15R1.778 CC(CCO)SC/C=C/c1ccccc1 62a_100016265936_100009893172 [0,1,0,0,0,0|1,1,1]=4 564 B15R1.778 CC=CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210699 [0,1,0,0,0,0|1,0,1]=3 565 B15R1.778 CC=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210699 [0,1,0,0,0,0|1,0,1]=3 566 B15R1.778 CC=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210699 [0,1,0,0,0,0|1,0,1]=3 567 B15R1.778 CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210303 [0,1,0,0,0,0|1,0,1]=3 568 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100000211992_100000701786 [0,1,0,0,0,0|1,0,2]=4 569 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210303 [0,1,0,0,0,0|1,0,2]=4 570 B15R1.778 CCCC(=O)CCCOc1ccccc1 1458a_100000211992_100000199009 [0,1,0,0,0,0|2,0,1]=4 571 B15R1.778 CCCC(=O)CCCOc1ccccc1 1458a_100000212059_100000210303 [0,1,0,0,0,0|2,0,1]=4 572 B15R1.778 CCCC(=O)CCCSc1ccccc1 1458a_100000182835_100000210303 [0,1,0,0,0,0|2,0,1]=4 573 B15R1.778 CCCC(=O)CCCSc1ccccc1 1458a_100000211992_200011203293 [0,1,0,0,0,0|2,0,1]=4 574 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000211992_100000234347 [0,1,0,0,0,0|2,0,1]=4 575 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210303 [0,1,0,0,0,0|2,0,1]=4 576 B15R1.778 CCCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210303 [0,1,0,0,0,0|2,0,1]=4 577 B15R1.778 CCCC(=O)CCSCc1ccccc1 1458a_100000211992_200011297719 [0,1,0,0,0,0|2,0,1]=4 578 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000211992 [0,1,0,0,0,0|1,0,0]=2 579 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000211992 [0,1,0,0,0,0|1,0,0]=2 580 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000211992 [0,1,0,0,0,0|1,0,0]=2 581 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000211992 [0,1,0,0,0,0|1,0,0]=2 582 B15R1.778 CCCC(=O)NCC#Cc1ccccc1 11a_100000735379_100000211992 [0,1,0,0,0,0|1,0,2]=4 583 B15R1.778 CCCC(=O)NCC#Cc1ccccc1 1626a_100000735379_100000211992 [0,1,0,0,0,0|1,0,2]=4 584 B15R1.778 CCCC(=O)NCC#Cc1ccccc1 240690a_100000735379_100000211992 [0,1,0,0,0,0|1,0,2]=4 585 B15R1.778 CCCC(=O)NCC#Cc1ccccc1 527a_100000735379_100000211992 [0,1,0,0,0,0|1,0,2]=4 586 B15R1.778 CCCC(=O)NCCCc1ccccc1 11a_100000211184_100000211992 [0,1,0,0,0,0|1,0,2]=4 587 B15R1.778 CCCC(=O)NCCCc1ccccc1 1626a_100000211184_100000211992 [0,1,0,0,0,0|1,0,2]=4 588 B15R1.778 CCCC(=O)NCCCc1ccccc1 240690a_100000211184_100000211992 [0,1,0,0,0,0|1,0,2]=4 589 B15R1.778 CCCC(=O)NCCCc1ccccc1 527a_100000211184_100000211992 [0,1,0,0,0,0|1,0,2]=4 590 B15R1.778 CCCC(=O)NCCOc1ccccc1 11a_100000174943_100000211992 [0,1,0,0,0,0|2,0,1]=4 591 B15R1.778 CCCC(=O)NCCOc1ccccc1 1626a_100000174943_100000211992 [0,1,0,0,0,0|2,0,1]=4 592 B15R1.778 CCCC(=O)NCCOc1ccccc1 240690a_100000174943_100000211992 [0,1,0,0,0,0|2,0,1]=4 593 B15R1.778 CCCC(=O)NCCOc1ccccc1 527a_100000174943_100000211992 [0,1,0,0,0,0|2,0,1]=4 594 B15R1.778 CCCC(=O)NCCSc1ccccc1 240690a_100000189519_100000211992 [0,1,0,0,0,0|2,0,1]=4 595 B15R1.778 CCCC(=O)NCCSc1ccccc1 527a_100000189519_100000211992 [0,1,0,0,0,0|2,0,1]=4 596 B15R1.778 CCCC(=O)NN=CCc1ccccc1 4a_100000189770_100000209964 [0,1,0,0,0,0|2,0,1]=4 597 B15R1.778 CCCC(=O)OCNCc1ccccc1 2230a_100015324214_100000034017 [0,1,0,0,0,0|1,0,1]=3 598 B15R1.778 CCCC(=O)OCNCc1ccccc1 34a_100015324214_100000034017 [0,1,0,0,0,0|1,0,1]=3 599 B15R1.778 CCCC(=O)OCOCc1ccccc1 34a_100000210790_100000034017 [0,1,0,0,0,0|1,0,1]=3 600 B15R1.778 CCCC(=O)OCSCc1ccccc1 62a_100000211182_100000034017 [0,1,0,0,0,0|1,0,1]=3 601 B15R1.778 CCCC(=O)OCSCc1ccccn1 62a_100000721315_100000034017 [0,1,0,0,0,0|2,0,1]=4 602 B15R1.778 CCCC(=O)OCSCc1cccnc1 62a_100000741622_100000034017 [0,1,0,0,0,0|2,0,1]=4 603 B15R1.778 CCCC(=O)OCSCc1ccncc1 62a_100015193705_100000034017 [0,1,0,0,0,0|2,0,1]=4 604 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 2230a_100000741246_100016265936 [0,1,0,0,0,0|2,0,1]=4 605 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000766640 [0,1,0,0,0,0|2,0,1]=4 606 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 270004a_100020603302_100000211909 [0,1,0,0,0,0|2,0,1]=4 607 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 34a_100020603302_100000766640 [0,1,0,0,0,0|2,0,1]=4 608 B15R1.778 CCCC(C)NCC=Cc1ccccc1 270004a_100000741246_100000210105 [0,1,0,0,0,0|2,0,1]=4 609 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 34a_100000210256_100000766640 [0,1,0,0,0,0|1,0,1]=3 610 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 34a_100000764384_100016265936 [0,1,0,0,0,0|1,0,1]=3 611 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 7a_100000764384_100016265936 [0,1,0,0,0,0|1,0,1]=3 612 B15R1.778 CCCC(C)OC/C=C/c1cccnc1 34a_200102594124_100000766640 [0,1,0,0,0,0|2,0,1]=4 613 B15R1.778 CCCC(C)SC/C=C/c1ccccc1 62a_100000766640_100016265936 [0,1,0,0,0,0|1,1,1]=4 614 B15R1.778 CCCC(C)SC/C=C/c1ccccc1 62a_100016265936_100000766640 [0,1,0,0,0,0|1,1,1]=4 615 B15R1.778 CCNC(=O)CCCCc1ccccc1 11a_100015525214_100011215911 [0,1,0,0,0,0|1,0,2]=4 616 B15R1.778 CCNC(=O)CCCCc1ccccc1 240690a_100015525214_100011215911 [0,1,0,0,0,0|1,0,2]=4 617 B15R1.778 CCNC(=O)CCCCc1ccccc1 527a_100015525214_100011215911 [0,1,0,0,0,0|1,0,2]=4 618 B15R1.778 CCNC(=O)CCCOc1ccccc1 11a_100015525214_100000212059 [0,1,0,0,0,0|2,0,1]=4 619 B15R1.778 CCNC(=O)CCCOc1ccccc1 240690a_100015525214_100000212059 [0,1,0,0,0,0|2,0,1]=4 620 B15R1.778 CCNC(=O)CCCOc1ccccc1 527a_100015525214_100000212059 [0,1,0,0,0,0|2,0,1]=4 621 B15R1.778 CCNC(=O)CCCSc1ccccc1 11a_100015525214_100000182835 [0,1,0,0,0,0|2,0,1]=4 622 B15R1.778 CCNC(=O)CCCSc1ccccc1 240690a_100015525214_100000182835 [0,1,0,0,0,0|2,0,1]=4 623 B15R1.778 CCNC(=O)CCCSc1ccccc1 527a_100015525214_100000182835 [0,1,0,0,0,0|2,0,1]=4 624 B15R1.778 CCNC(=O)CCNCc1ccccc1 207a_100025743525_100015611070 [0,1,0,0,0,0|2,0,1]=4 625 B15R1.778 CCNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737597 [0,1,0,0,0,0|2,0,1]=4 626 B15R1.778 CCNC(=O)CCNCc1ccccc1 270004a_100025743525_100015611070 [0,1,0,0,0,0|2,0,1]=4 627 B15R1.778 CCNC(=O)CCNCc1ccccc1 34a_100025743525_100015291786 [0,1,0,0,0,0|2,0,1]=4 628 B15R1.778 CCNC(=O)CCOCc1ccccc1 11a_100015525214_100000743319 [0,1,0,0,0,0|2,0,1]=4 629 B15R1.778 CCNC(=O)CCOCc1ccccc1 240690a_100015525214_100000743319 [0,1,0,0,0,0|2,0,1]=4 630 B15R1.778 CCNC(=O)CCOCc1ccccc1 527a_100015525214_100000743319 [0,1,0,0,0,0|2,0,1]=4 631 B15R1.778 CCNC(=O)CCOCc1ccccc1 7a_100000210790_100000737597 [0,1,0,0,0,0|2,0,1]=4 632 B15R1.778 CCNC(=O)CCSCc1ccccc1 11a_100015525214_100000173759 [0,1,0,0,0,0|2,0,1]=4 633 B15R1.778 CCNC(=O)CCSCc1ccccc1 240690a_100015525214_100000173759 [0,1,0,0,0,0|2,0,1]=4 634 B15R1.778 CCNC(=O)CCSCc1ccccc1 527a_100015525214_100000173759 [0,1,0,0,0,0|2,0,1]=4 635 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000211182_100000737597 [0,1,0,0,0,0|2,0,1]=4 636 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000737597_100015291786 [0,1,0,0,0,0|2,0,1]=4 637 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 2708a_100015525214_100020603302 [0,1,0,0,0,0|1,0,0]=2 638 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100015525214 [0,1,0,0,0,0|1,0,0]=2 639 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 273464a_100015525214_100020603302 [0,1,0,0,0,0|1,0,0]=2 640 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100015525214 [0,1,0,0,0,0|1,0,0]=2 641 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 512a_100015525214_100020603302 [0,1,0,0,0,0|1,0,0]=2 642 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100015525214 [0,1,0,0,0,0|1,0,0]=2 643 B15R1.778 CCNC(=O)NCC#Cc1ccccc1 2708a_100000735379_100015525214 [0,1,0,0,0,0|1,0,2]=4 644 B15R1.778 CCNC(=O)NCC#Cc1ccccc1 2708a_100015525214_100000735379 [0,1,0,0,0,0|1,0,2]=4 645 B15R1.778 CCNC(=O)NCC#Cc1ccccc1 273464a_100000735379_100015525214 [0,1,0,0,0,0|1,0,2]=4 646 B15R1.778 CCNC(=O)NCC#Cc1ccccc1 273464a_100015525214_100000735379 [0,1,0,0,0,0|1,0,2]=4 647 B15R1.778 CCNC(=O)NCC#Cc1ccccc1 512a_100000735379_100015525214 [0,1,0,0,0,0|1,0,2]=4 648 B15R1.778 CCNC(=O)NCC#Cc1ccccc1 512a_100015525214_100000735379 [0,1,0,0,0,0|1,0,2]=4 649 B15R1.778 CCNC(=O)NCCCc1ccccc1 2708a_100000211184_100015525214 [0,1,0,0,0,0|1,0,2]=4 650 B15R1.778 CCNC(=O)NCCCc1ccccc1 2708a_100015525214_100000211184 [0,1,0,0,0,0|1,0,2]=4 651 B15R1.778 CCNC(=O)NCCCc1ccccc1 273464a_100000211184_100015525214 [0,1,0,0,0,0|1,0,2]=4 652 B15R1.778 CCNC(=O)NCCCc1ccccc1 273464a_100015525214_100000211184 [0,1,0,0,0,0|1,0,2]=4 653 B15R1.778 CCNC(=O)NCCCc1ccccc1 512a_100000211184_100015525214 [0,1,0,0,0,0|1,0,2]=4 654 B15R1.778 CCNC(=O)NCCCc1ccccc1 512a_100015525214_100000211184 [0,1,0,0,0,0|1,0,2]=4 655 B15R1.778 CCNC(=O)NCCOc1ccccc1 2708a_100000174943_100015525214 [0,1,0,0,0,0|2,0,1]=4 656 B15R1.778 CCNC(=O)NCCOc1ccccc1 2708a_100015525214_100000174943 [0,1,0,0,0,0|2,0,1]=4 657 B15R1.778 CCNC(=O)NCCOc1ccccc1 273464a_100000174943_100015525214 [0,1,0,0,0,0|2,0,1]=4 658 B15R1.778 CCNC(=O)NCCOc1ccccc1 273464a_100015525214_100000174943 [0,1,0,0,0,0|2,0,1]=4 659 B15R1.778 CCNC(=O)NCCOc1ccccc1 512a_100000174943_100015525214 [0,1,0,0,0,0|2,0,1]=4 660 B15R1.778 CCNC(=O)NCCOc1ccccc1 512a_100015525214_100000174943 [0,1,0,0,0,0|2,0,1]=4 661 B15R1.778 CCNC(=O)NCCSc1ccccc1 2708a_100000189519_100015525214 [0,1,0,0,0,0|2,0,1]=4 662 B15R1.778 CCNC(=O)NCCSc1ccccc1 2708a_100015525214_100000189519 [0,1,0,0,0,0|2,0,1]=4 663 B15R1.778 CCNC(=O)NCCSc1ccccc1 273464a_100000189519_100015525214 [0,1,0,0,0,0|2,0,1]=4 664 B15R1.778 CCNC(=O)NCCSc1ccccc1 273464a_100015525214_100000189519 [0,1,0,0,0,0|2,0,1]=4 665 B15R1.778 CCNC(=O)NCCSc1ccccc1 512a_100000189519_100015525214 [0,1,0,0,0,0|2,0,1]=4 666 B15R1.778 CCNC(=O)NCCSc1ccccc1 512a_100015525214_100000189519 [0,1,0,0,0,0|2,0,1]=4 667 B15R1.778 CCOC(=O)CCCNc1ccccc1 34a_100000106764_100009991533 [0,1,0,0,0,0|2,0,1]=4 668 B15R1.778 CCOC(=O)CCCOc1ccccc1 34a_100000210340_100009991533 [0,1,0,0,0,0|2,0,1]=4 669 B15R1.778 CCOC(=O)CCCOc1ccccc1 7a_100000210340_100011215271 [0,1,0,0,0,0|2,0,1]=4 670 B15R1.778 CCOC(=O)CCCSc1ccccc1 62a_100000719477_100009991533 [0,1,0,0,0,0|2,0,1]=4 671 B15R1.778 CCOC(=O)CCCSc1ccccc1 62a_100009991533_100000041952 [0,1,0,0,0,0|2,0,1]=4 672 B15R1.778 CCOC(=O)CCNCc1ccccc1 2230a_100015324214_100011206558 [0,1,0,0,0,0|2,0,1]=4 673 B15R1.778 CCOC(=O)CCNCc1ccccc1 34a_100015324214_100000765890 [0,1,0,0,0,0|2,0,1]=4 674 B15R1.778 CCOC(=O)CCOCc1ccccc1 34a_100000210790_100000765890 [0,1,0,0,0,0|2,0,1]=4 675 B15R1.778 CCOC(=O)CCOCc1ccccc1 7a_100000210790_100011206558 [0,1,0,0,0,0|2,0,1]=4 676 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000211182_100000765890 [0,1,0,0,0,0|2,0,1]=4 677 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000765890_100015291786 [0,1,0,0,0,0|2,0,1]=4 678 B15R1.778 CCOC(=O)NCCOc1ccccc1 7a_100000210340_200011445536 [0,1,0,0,0,0|2,0,1]=4 679 B15R1.778 CCOC(=O)NCCSc1ccccc1 62a_100000719477_200011445536 [0,1,0,0,0,0|2,0,1]=4 680 B15R1.778 CCOC(=O)OCSCc1ccccc1 62a_100000211182_100000075025 [0,1,0,0,0,0|1,0,1]=3 681 B15R1.778 CCOC(=O)OCSCc1ccccn1 62a_100000721315_100000075025 [0,1,0,0,0,0|2,0,1]=4 682 B15R1.778 CCOC(=O)OCSCc1cccnc1 62a_100000741622_100000075025 [0,1,0,0,0,0|2,0,1]=4 683 B15R1.778 CCOC(=O)OCSCc1ccncc1 62a_100015193705_100000075025 [0,1,0,0,0,0|2,0,1]=4 684 B15R1.778 CNCC(=O)NC/C=C/c1ccccc1 2230a_106832991635_100102863107 [0,1,0,0,0,0|1,0,0]=2 685 B15R1.778 CNCC(=O)NC/C=C/c1ccccc1 34a_100102657272_100102863107 [0,1,0,0,0,0|1,0,0]=2 686 B15R1.778 CNCC(=O)NC/C=C/c1ccccc1 7a_106832991635_100102863107 [0,1,0,0,0,0|1,0,0]=2 687 B15R1.778 CNCC(=O)NCCCc1ccccc1 2230a_106832991635_100000182878 [0,1,0,0,0,0|1,0,2]=4 688 B15R1.778 CNCC(=O)NCCCc1ccccc1 34a_100102657272_100000182878 [0,1,0,0,0,0|1,0,2]=4 689 B15R1.778 CNCC(=O)NCCCc1ccccc1 7a_106832991635_100000182878 [0,1,0,0,0,0|1,0,2]=4 690 B15R1.778 CNCC(=O)NCCOc1ccccc1 2230a_106832991635_100000181728 [0,1,0,0,0,0|2,0,1]=4 691 B15R1.778 CNCC(=O)NCCOc1ccccc1 34a_100102657272_100000181728 [0,1,0,0,0,0|2,0,1]=4 692 B15R1.778 CNCC(=O)NCCOc1ccccc1 7a_106832991635_100000181728 [0,1,0,0,0,0|2,0,1]=4 693 B15R1.778 CNNC(=O)C=C/C=C/c1ccccc1 22a_100016993582_100016289705 [0,1,0,0,0,0|2,0,1]=4 694 B15R1.778 CNNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100016993582 [0,1,0,0,0,0|2,0,0]=3 695 B15R1.778 CNNC(=O)NC/C=C/c1ccccc1 512a_100016993582_100020603302 [0,1,0,0,0,0|2,0,0]=3 696 B15R1.778 CNNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100016993582 [0,1,0,0,0,0|2,0,0]=3 697 B15R1.778 COCC(=O)CCCCc1ccccc1 1458a_100000210968_100000701786 [0,1,0,0,0,0|1,0,2]=4 698 B15R1.778 COCC(=O)CCCOc1ccccc1 1458a_100000210968_100000199009 [0,1,0,0,0,0|2,0,1]=4 699 B15R1.778 COCC(=O)CCCSc1ccccc1 1458a_100000210968_200011203293 [0,1,0,0,0,0|2,0,1]=4 700 B15R1.778 COCC(=O)CCOCc1ccccc1 1458a_100000210968_100000234347 [0,1,0,0,0,0|2,0,1]=4 701 B15R1.778 COCC(=O)CCSCc1ccccc1 1458a_100000210968_200011297719 [0,1,0,0,0,0|2,0,1]=4 702 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210968 [0,1,0,0,0,0|1,0,0]=2 703 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210968 [0,1,0,0,0,0|1,0,0]=2 704 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210968 [0,1,0,0,0,0|1,0,0]=2 705 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 34a_100138415774_100102863107 [0,1,0,0,0,0|1,0,0]=2 706 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210968 [0,1,0,0,0,0|1,0,0]=2 707 B15R1.778 COCC(=O)NCC#Cc1ccccc1 11a_100000735379_100000210968 [0,1,0,0,0,0|1,0,2]=4 708 B15R1.778 COCC(=O)NCC#Cc1ccccc1 1626a_100000735379_100000210968 [0,1,0,0,0,0|1,0,2]=4 709 B15R1.778 COCC(=O)NCC#Cc1ccccc1 240690a_100000735379_100000210968 [0,1,0,0,0,0|1,0,2]=4 710 B15R1.778 COCC(=O)NCC#Cc1ccccc1 527a_100000735379_100000210968 [0,1,0,0,0,0|1,0,2]=4 711 B15R1.778 COCC(=O)NCCCc1ccccc1 11a_100000211184_100000210968 [0,1,0,0,0,0|1,0,2]=4 712 B15R1.778 COCC(=O)NCCCc1ccccc1 1626a_100000211184_100000210968 [0,1,0,0,0,0|1,0,2]=4 713 B15R1.778 COCC(=O)NCCCc1ccccc1 240690a_100000211184_100000210968 [0,1,0,0,0,0|1,0,2]=4 714 B15R1.778 COCC(=O)NCCCc1ccccc1 34a_100138415774_100000182878 [0,1,0,0,0,0|1,0,2]=4 715 B15R1.778 COCC(=O)NCCCc1ccccc1 527a_100000211184_100000210968 [0,1,0,0,0,0|1,0,2]=4 716 B15R1.778 COCC(=O)NCCOc1ccccc1 11a_100000174943_100000210968 [0,1,0,0,0,0|2,0,1]=4 717 B15R1.778 COCC(=O)NCCOc1ccccc1 1626a_100000174943_100000210968 [0,1,0,0,0,0|2,0,1]=4 718 B15R1.778 COCC(=O)NCCOc1ccccc1 240690a_100000174943_100000210968 [0,1,0,0,0,0|2,0,1]=4 719 B15R1.778 COCC(=O)NCCOc1ccccc1 34a_100138415774_100000181728 [0,1,0,0,0,0|2,0,1]=4 720 B15R1.778 COCC(=O)NCCOc1ccccc1 527a_100000174943_100000210968 [0,1,0,0,0,0|2,0,1]=4 721 B15R1.778 COCC(=O)NCCSc1ccccc1 240690a_100000189519_100000210968 [0,1,0,0,0,0|2,0,1]=4 722 B15R1.778 COCC(=O)NCCSc1ccccc1 527a_100000189519_100000210968 [0,1,0,0,0,0|2,0,1]=4 723 B15R1.778 COCC(=O)NN=CCc1ccccc1 4a_100000216845_100000209964 [0,1,0,0,0,0|2,0,1]=4 724 B15R1.778 COCC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000765312 [0,1,0,0,0,0|2,0,1]=4 725 B15R1.778 COCC(C)NC/C=C/c1ccccc1 270004a_100020603302_100000749346 [0,1,0,0,0,0|2,0,1]=4 726 B15R1.778 COCC(C)NC/C=C/c1ccccc1 34a_100020603302_100000765312 [0,1,0,0,0,0|2,0,1]=4 727 B15R1.778 COCC(C)OC/C=C/c1ccccc1 34a_100000210256_100000765312 [0,1,0,0,0,0|1,0,1]=3 728 B15R1.778 COCC(C)OC/C=C/c1cccnc1 34a_200102594124_100000765312 [0,1,0,0,0,0|2,0,1]=4 729 B15R1.778 COCC(C)SC/C=C/c1ccccc1 62a_100000765312_100016265936 [0,1,0,0,0,0|1,1,1]=4 730 B15R1.778 COCC(C)SC/C=C/c1ccccc1 62a_100016265936_100000765312 [0,1,0,0,0,0|1,1,1]=4 731 B15R1.778 COC[C@@H](C)NC/C=C/c1ccccc1 2230a_100000764878_100016265936 [0,1,0,0,0,0|2,0,1]=4 732 B15R1.778 COC[C@@H](C)NCC=Cc1ccccc1 270004a_100000764878_100000210105 [0,1,0,0,0,0|2,0,1]=4 733 B15R1.778 COC[C@@H](C)OC/C=C/c1ccccc1 34a_100011934205_100016265936 [0,1,0,0,0,0|1,0,1]=3 734 B15R1.778 CSCC(=O)CCCCc1ccccc1 1458a_100000184570_100000701786 [0,1,0,0,0,0|1,0,2]=4 735 B15R1.778 CSCC(=O)CCCOc1ccccc1 1458a_100000184570_100000199009 [0,1,0,0,0,0|2,0,1]=4 736 B15R1.778 CSCC(=O)CCCSc1ccccc1 1458a_100000184570_200011203293 [0,1,0,0,0,0|2,0,1]=4 737 B15R1.778 CSCC(=O)CCOCc1ccccc1 1458a_100000184570_100000234347 [0,1,0,0,0,0|2,0,1]=4 738 B15R1.778 CSCC(=O)CCSCc1ccccc1 1458a_100000184570_200011297719 [0,1,0,0,0,0|2,0,1]=4 739 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000184570 [0,1,0,0,0,0|1,0,0]=2 740 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000184570 [0,1,0,0,0,0|1,0,0]=2 741 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000184570 [0,1,0,0,0,0|1,0,0]=2 742 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000184570 [0,1,0,0,0,0|1,0,0]=2 743 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 62a_100102863107_200000210301 [0,1,0,0,0,0|1,0,0]=2 744 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 62a_200000210301_100102863107 [0,1,0,0,0,0|1,0,0]=2 745 B15R1.778 CSCC(=O)NCC#Cc1ccccc1 11a_100000735379_100000184570 [0,1,0,0,0,0|1,0,2]=4 746 B15R1.778 CSCC(=O)NCC#Cc1ccccc1 1626a_100000735379_100000184570 [0,1,0,0,0,0|1,0,2]=4 747 B15R1.778 CSCC(=O)NCC#Cc1ccccc1 240690a_100000735379_100000184570 [0,1,0,0,0,0|1,0,2]=4 748 B15R1.778 CSCC(=O)NCC#Cc1ccccc1 527a_100000735379_100000184570 [0,1,0,0,0,0|1,0,2]=4 749 B15R1.778 CSCC(=O)NCCCc1ccccc1 11a_100000211184_100000184570 [0,1,0,0,0,0|1,0,2]=4 750 B15R1.778 CSCC(=O)NCCCc1ccccc1 1626a_100000211184_100000184570 [0,1,0,0,0,0|1,0,2]=4 751 B15R1.778 CSCC(=O)NCCCc1ccccc1 240690a_100000211184_100000184570 [0,1,0,0,0,0|1,0,2]=4 752 B15R1.778 CSCC(=O)NCCCc1ccccc1 527a_100000211184_100000184570 [0,1,0,0,0,0|1,0,2]=4 753 B15R1.778 CSCC(=O)NCCCc1ccccc1 62a_100000182878_200000210301 [0,1,0,0,0,0|1,0,2]=4 754 B15R1.778 CSCC(=O)NCCCc1ccccc1 62a_200000210301_100000182878 [0,1,0,0,0,0|1,0,2]=4 755 B15R1.778 CSCC(=O)NCCOc1ccccc1 11a_100000174943_100000184570 [0,1,0,0,0,0|2,0,1]=4 756 B15R1.778 CSCC(=O)NCCOc1ccccc1 1626a_100000174943_100000184570 [0,1,0,0,0,0|2,0,1]=4 757 B15R1.778 CSCC(=O)NCCOc1ccccc1 240690a_100000174943_100000184570 [0,1,0,0,0,0|2,0,1]=4 758 B15R1.778 CSCC(=O)NCCOc1ccccc1 527a_100000174943_100000184570 [0,1,0,0,0,0|2,0,1]=4 759 B15R1.778 CSCC(=O)NCCOc1ccccc1 62a_100000181728_200000210301 [0,1,0,0,0,0|2,0,1]=4 760 B15R1.778 CSCC(=O)NCCOc1ccccc1 62a_200000210301_100000181728 [0,1,0,0,0,0|2,0,1]=4 761 B15R1.778 CSCC(=O)NCCSc1ccccc1 240690a_100000189519_100000184570 [0,1,0,0,0,0|2,0,1]=4 762 B15R1.778 CSCC(=O)NCCSc1ccccc1 527a_100000189519_100000184570 [0,1,0,0,0,0|2,0,1]=4 763 B15R1.778 CSCC(C)NC/C=C/c1ccccc1 270004a_100020603302_100011216314 [0,1,0,0,0,0|2,0,1]=4 764 B15R1.778 C[C@H](CCO)NC/C=C/c1ccccc1 2230a_100000706166_100016265936 [0,1,0,0,0,0|2,0,1]=4 765 B15R1.778 C[C@H](CCO)NC/C=C/c1ccccc1 34a_100000706166_100016265936 [0,1,0,0,0,0|2,0,1]=4 766 B15R1.778 C[C@H](CCO)NCC=Cc1ccccc1 270004a_100000706166_100000210105 [0,1,0,0,0,0|2,0,1]=4 767 B15R1.778 N#CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100011214920 [0,1,0,0,0,0|1,0,2]=4 768 B15R1.778 N#CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100051588842 [0,1,0,0,0,0|1,0,1]=3 769 B15R1.778 N#CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100051588842 [0,1,0,0,0,0|1,0,1]=3 770 B15R1.778 O=C(C=C/C=C/c1ccccc1)CCF 1458a_100016289705_100011217306 [0,1,0,0,0,0|1,0,1]=3 771 B15R1.778 O=C(C=C/C=C/c1ccccc1)CCO 1458a_100016289705_100000211926 [0,1,0,0,0,0|1,0,1]=3 772 B15R1.778 O=C(C=CBr)NC/C=C/c1ccccc1 1626a_100020603302_100016273825 [0,1,0,0,0,0|1,0,2]=4 773 B15R1.778 O=C(C=CBr)NC/C=C/c1ccccc1 240690a_100020603302_100016273825 [0,1,0,0,0,0|1,0,2]=4 774 B15R1.778 O=C(C=CCl)NC/C=C/c1ccccc1 11a_100020603302_200016279998 [0,1,0,0,0,0|1,0,2]=4 775 B15R1.778 O=C(C=CCl)NC/C=C/c1ccccc1 1626a_100020603302_200016279998 [0,1,0,0,0,0|1,0,2]=4 776 B15R1.778 O=C(C=CCl)NC/C=C/c1ccccc1 240690a_100020603302_200016279998 [0,1,0,0,0,0|1,0,2]=4 777 B15R1.778 O=C(C=CI)NC/C=C/c1ccccc1 1626a_100020603302_100016256311 [0,1,0,0,0,0|1,0,2]=4 778 B15R1.778 O=C(CCF)CCCCc1ccccc1 1458a_100011215911_100011217306 [0,1,0,0,0,0|1,0,2]=4 779 B15R1.778 O=C(CCF)CCCOc1ccccc1 1458a_100000212059_100011217306 [0,1,0,0,0,0|2,0,1]=4 780 B15R1.778 O=C(CCF)CCCSc1ccccc1 1458a_100000182835_100011217306 [0,1,0,0,0,0|2,0,1]=4 781 B15R1.778 O=C(CCF)CCOCc1ccccc1 1458a_100000743319_100011217306 [0,1,0,0,0,0|2,0,1]=4 782 B15R1.778 O=C(CCF)CCSCc1ccccc1 1458a_100000173759_100011217306 [0,1,0,0,0,0|2,0,1]=4 783 B15R1.778 O=C(CCO)CCCCc1ccccc1 1458a_100011215911_100000211926 [0,1,0,0,0,0|1,0,2]=4 784 B15R1.778 O=C(CCO)CCCCc1ccccc1 1458a_100011216618_100000701786 [0,1,0,0,0,0|1,0,2]=4 785 B15R1.778 O=C(CCO)CCCOc1ccccc1 1458a_100000212059_100000211926 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.778 O=C(CCO)CCCOc1ccccc1 1458a_100011216618_100000199009 [0,1,0,0,0,0|2,0,1]=4 787 B15R1.778 O=C(CCO)CCCSc1ccccc1 1458a_100000182835_100000211926 [0,1,0,0,0,0|2,0,1]=4 788 B15R1.778 O=C(CCO)CCCSc1ccccc1 1458a_100011216618_200011203293 [0,1,0,0,0,0|2,0,1]=4 789 B15R1.778 O=C(CCO)CCOCc1ccccc1 1458a_100000743319_100000211926 [0,1,0,0,0,0|2,0,1]=4 790 B15R1.778 O=C(CCO)CCOCc1ccccc1 1458a_100011216618_100000234347 [0,1,0,0,0,0|2,0,1]=4 791 B15R1.778 O=C(CCO)CCSCc1ccccc1 1458a_100000173759_100000211926 [0,1,0,0,0,0|2,0,1]=4 792 B15R1.778 O=C(CCO)CCSCc1ccccc1 1458a_100011216618_200011297719 [0,1,0,0,0,0|2,0,1]=4 793 B15R1.778 O=C(CCO)NC/C=C/c1ccccc1 240690a_100020603302_100011216618 [0,1,0,0,0,0|1,0,0]=2 794 B15R1.778 O=C(CCO)NCC#Cc1ccccc1 240690a_100000735379_100011216618 [0,1,0,0,0,0|1,0,2]=4 795 B15R1.778 O=C(CCO)NCCCc1ccccc1 240690a_100000211184_100011216618 [0,1,0,0,0,0|1,0,2]=4 796 B15R1.778 O=C(CCO)NCCOc1ccccc1 240690a_100000174943_100011216618 [0,1,0,0,0,0|2,0,1]=4 797 B15R1.778 O=C(CCO)NCCSc1ccccc1 240690a_100000189519_100011216618 [0,1,0,0,0,0|2,0,1]=4 798 B15R1.778 [13CH3]SCC(=O)NC/C=C/c1ccccc1 62a_100102863107_200025704644 [0,1,0,0,0,0|1,0,0]=2 799 B15R1.778 [13CH3]SCC(=O)NC/C=C/c1ccccc1 62a_200025704644_100102863107 [0,1,0,0,0,0|1,0,0]=2 800 B15R1.778 [13CH3]SCC(=O)NCCCc1ccccc1 62a_100000182878_200025704644 [0,1,0,0,0,0|1,0,2]=4 801 B15R1.778 [13CH3]SCC(=O)NCCCc1ccccc1 62a_200025704644_100000182878 [0,1,0,0,0,0|1,0,2]=4 802 B15R1.778 [13CH3]SCC(=O)NCCOc1ccccc1 62a_100000181728_200025704644 [0,1,0,0,0,0|2,0,1]=4 803 B15R1.778 [13CH3]SCC(=O)NCCOc1ccccc1 62a_200025704644_100000181728 [0,1,0,0,0,0|2,0,1]=4 804 B15R1.942 CCC(=O)CCCCc1cccc(c1)Br 1458a_200010160685_100000210202 [0,1,0,0,0,0|1,0,2]=4 805 B15R1.942 CCC(=O)CCCOc1cccc(c1)C 1458a_100000183260_100000210202 [0,1,0,0,0,0|2,0,1]=4 806 B15R1.942 CCC(=O)CCCOc1cccc(c1)C 1458a_100000210414_100000212303 [0,1,0,0,0,0|2,0,1]=4 807 B15R1.942 CCC(=O)CCCOc1cccc(c1)Cl 1458a_100000210414_100000742658 [0,1,0,0,0,0|2,0,1]=4 808 B15R1.942 CCC(=O)CCCOc1cccc(c1)O 1458a_200009913207_100000210202 [0,1,0,0,0,0|2,0,1]=4 809 B15R1.942 CCC(=O)NCCCc1cccc(c1)Br 11a_100000753791_100000210414 [0,1,0,0,0,0|1,0,2]=4 810 B15R1.942 CCC(=O)NCCCc1cccc(c1)Br 1626a_100000753791_100000210414 [0,1,0,0,0,0|1,0,2]=4 811 B15R1.942 CCC(=O)NCCCc1cccc(c1)Br 240690a_100000753791_100000210414 [0,1,0,0,0,0|1,0,2]=4 812 B15R1.942 CCC(=O)NCCCc1cccc(c1)Br 527a_100000753791_100000210414 [0,1,0,0,0,0|1,0,2]=4 813 B15R1.942 CCC(=O)NCCCc1cccc(c1)C 11a_103496528808_100000210414 [0,1,0,0,0,0|1,0,2]=4 814 B15R1.942 CCC(=O)NCCCc1cccc(c1)C 1626a_103496528808_100000210414 [0,1,0,0,0,0|1,0,2]=4 815 B15R1.942 CCC(=O)NCCCc1cccc(c1)C 240690a_103496528808_100000210414 [0,1,0,0,0,0|1,0,2]=4 816 B15R1.942 CCC(=O)NCCCc1cccc(c1)C 527a_103496528808_100000210414 [0,1,0,0,0,0|1,0,2]=4 817 B15R1.942 CCC(=O)NCCCc1cccc(c1)Cl 11a_100000704586_100000210414 [0,1,0,0,0,0|1,0,2]=4 818 B15R1.942 CCC(=O)NCCCc1cccc(c1)Cl 1626a_100000704586_100000210414 [0,1,0,0,0,0|1,0,2]=4 819 B15R1.942 CCC(=O)NCCCc1cccc(c1)Cl 240690a_100000704586_100000210414 [0,1,0,0,0,0|1,0,2]=4 820 B15R1.942 CCC(=O)NCCCc1cccc(c1)Cl 527a_100000704586_100000210414 [0,1,0,0,0,0|1,0,2]=4 821 B15R1.942 CCC(=O)NCCCc1cccc(c1)F 11a_100000754185_100000210414 [0,1,0,0,0,0|1,0,2]=4 822 B15R1.942 CCC(=O)NCCCc1cccc(c1)F 1626a_100000754185_100000210414 [0,1,0,0,0,0|1,0,2]=4 823 B15R1.942 CCC(=O)NCCCc1cccc(c1)F 240690a_100000754185_100000210414 [0,1,0,0,0,0|1,0,2]=4 824 B15R1.942 CCC(=O)NCCCc1cccc(c1)F 527a_100000754185_100000210414 [0,1,0,0,0,0|1,0,2]=4 825 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br 11a_100000743521_100000210414 [0,1,0,0,0,0|2,0,1]=4 826 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br 1626a_100000743521_100000210414 [0,1,0,0,0,0|2,0,1]=4 827 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br 240690a_100000743521_100000210414 [0,1,0,0,0,0|2,0,1]=4 828 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br 527a_100000743521_100000210414 [0,1,0,0,0,0|2,0,1]=4 829 B15R1.942 CCC(=O)NCCOc1cccc(c1)C 11a_100015185188_100000210414 [0,1,0,0,0,0|2,0,1]=4 830 B15R1.942 CCC(=O)NCCOc1cccc(c1)C 1626a_100015185188_100000210414 [0,1,0,0,0,0|2,0,1]=4 831 B15R1.942 CCC(=O)NCCOc1cccc(c1)C 240690a_100015185188_100000210414 [0,1,0,0,0,0|2,0,1]=4 832 B15R1.942 CCC(=O)NCCOc1cccc(c1)C 527a_100015185188_100000210414 [0,1,0,0,0,0|2,0,1]=4 833 B15R1.942 CCC(=O)NCCOc1cccc(c1)Cl 11a_100000740232_100000210414 [0,1,0,0,0,0|2,0,1]=4 834 B15R1.942 CCC(=O)NCCOc1cccc(c1)Cl 1626a_100000740232_100000210414 [0,1,0,0,0,0|2,0,1]=4 835 B15R1.942 CCC(=O)NCCOc1cccc(c1)Cl 240690a_100000740232_100000210414 [0,1,0,0,0,0|2,0,1]=4 836 B15R1.942 CCC(=O)NCCOc1cccc(c1)Cl 527a_100000740232_100000210414 [0,1,0,0,0,0|2,0,1]=4 837 B15R1.942 CCC(=O)NCCOc1cccc(c1)F 11a_100000738948_100000210414 [0,1,0,0,0,0|2,0,1]=4 838 B15R1.942 CCC(=O)NCCOc1cccc(c1)F 1626a_100000738948_100000210414 [0,1,0,0,0,0|2,0,1]=4 839 B15R1.942 CCC(=O)NCCOc1cccc(c1)F 240690a_100000738948_100000210414 [0,1,0,0,0,0|2,0,1]=4 840 B15R1.942 CCC(=O)NCCOc1cccc(c1)F 527a_100000738948_100000210414 [0,1,0,0,0,0|2,0,1]=4 841 B15R1.942 CCC(=O)NN=CCc1cccc(c1)Br 4a_100000183195_200000698211 [0,1,0,0,0,0|2,0,1]=4 842 B15R1.942 CCC(=O)NN=CCc1cccc(c1)Cl 4a_100000183195_100000765889 [0,1,0,0,0,0|2,0,1]=4 843 B15R1.942 CCC(=O)NN=CCc1cccc(c1)F 4a_100000183195_100011713417 [0,1,0,0,0,0|2,0,1]=4 844 B15R1.942 CCC(C)NCC=Cc1cccc(c1)C 270004a_100000209981_100102525846 [0,1,0,0,0,0|2,0,1]=4 845 B15R1.942 CCC(C)NCC=Cc1cccc(c1)Cl 270004a_100000209981_100016268971 [0,1,0,0,0,0|2,0,1]=4 846 B15R1.942 CNC(=O)OCCNc1cccc(c1)Br 34a_100000210019_200011997002 [0,1,0,0,0,0|2,0,1]=4 847 B15R1.942 CNC(=O)OCCNc1cccc(c1)C 34a_100000188690_200011997002 [0,1,0,0,0,0|2,0,1]=4 848 B15R1.942 CNC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_200011997002 [0,1,0,0,0,0|2,0,1]=4 849 B15R1.942 CNC(=O)OCCNc1cccc(c1)F 34a_100000210047_200011997002 [0,1,0,0,0,0|2,0,1]=4 850 B15R1.942 CNC(=O)OCCNc1cccc(c1)I 34a_100000211102_200011997002 [0,1,0,0,0,0|2,0,1]=4 851 B15R1.942 CNC(=O)OCCNc1cccc(c1)O 34a_100000210217_200011997002 [0,1,0,0,0,0|2,0,1]=4 852 B15R1.942 CNC(=O)OCCOc1cccc(c1)Br 34a_100000210342_200011997002 [0,1,0,0,0,0|2,0,1]=4 853 B15R1.942 CNC(=O)OCCOc1cccc(c1)Br 7a_100000210342_200011997002 [0,1,0,0,0,0|2,0,1]=4 854 B15R1.942 CNC(=O)OCCOc1cccc(c1)C 34a_100000210337_200011997002 [0,1,0,0,0,0|2,0,1]=4 855 B15R1.942 CNC(=O)OCCOc1cccc(c1)C 7a_100000210337_200011997002 [0,1,0,0,0,0|2,0,1]=4 856 B15R1.942 CNC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_200011997002 [0,1,0,0,0,0|2,0,1]=4 857 B15R1.942 CNC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_200011997002 [0,1,0,0,0,0|2,0,1]=4 858 B15R1.942 CNC(=O)OCCOc1cccc(c1)F 34a_100000210426_200011997002 [0,1,0,0,0,0|2,0,1]=4 859 B15R1.942 CNC(=O)OCCOc1cccc(c1)F 7a_100000210426_200011997002 [0,1,0,0,0,0|2,0,1]=4 860 B15R1.942 CNC(=O)OCCOc1cccc(c1)I 34a_100000211634_200011997002 [0,1,0,0,0,0|2,0,1]=4 861 B15R1.942 CNC(=O)OCCOc1cccc(c1)I 7a_100000211634_200011997002 [0,1,0,0,0,0|2,0,1]=4 862 B15R1.942 CNC(=O)OCCOc1cccc(c1)N 34a_100000210217_200011997002 [0,1,0,0,0,0|2,0,1]=4 863 B15R1.942 CNC(=O)OCCSc1cccc(c1)Br 62a_100000691529_200011997002 [0,1,0,0,0,0|2,0,1]=4 864 B15R1.942 CNC(=O)OCCSc1cccc(c1)Br 62a_200011997002_100000691529 [0,1,0,0,0,0|2,0,1]=4 865 B15R1.942 CNC(=O)OCCSc1cccc(c1)C 62a_100011215228_200011997002 [0,1,0,0,0,0|2,0,1]=4 866 B15R1.942 CNC(=O)OCCSc1cccc(c1)C 62a_200011997002_100011215228 [0,1,0,0,0,0|2,0,1]=4 867 B15R1.942 CNC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_200011997002 [0,1,0,0,0,0|2,0,1]=4 868 B15R1.942 CNC(=O)OCCSc1cccc(c1)Cl 62a_200011997002_100000699651 [0,1,0,0,0,0|2,0,1]=4 869 B15R1.942 CNC(=O)OCCSc1cccc(c1)F 62a_100000685547_200011997002 [0,1,0,0,0,0|2,0,1]=4 870 B15R1.942 CNC(=O)OCCSc1cccc(c1)F 62a_200011997002_100000685547 [0,1,0,0,0,0|2,0,1]=4 871 B15R1.942 CNC(=O)OCCSc1cccc(c1)N 62a_100000210019_200011997002 [0,1,0,0,0,0|2,0,1]=4 872 B15R1.942 CNC(=O)OCCSc1cccc(c1)N 62a_200011997002_100000210019 [0,1,0,0,0,0|2,0,1]=4 873 B15R1.942 CNC(=O)OCCSc1cccc(c1)O 62a_200011997002_100000211634 [0,1,0,0,0,0|2,0,1]=4 874 B15R1.942 CNC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_200011997002 [0,1,0,0,0,0|2,0,1]=4 875 B15R1.942 CNC(=O)OCCSc1cccc(c1)[S] 62a_200011997002_114929384022 [0,1,0,0,0,0|2,0,1]=4 876 B15R1.942 COC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000139417 [0,1,0,0,0,0|2,0,1]=4 877 B15R1.942 COC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000139417 [0,1,0,0,0,0|2,0,1]=4 878 B15R1.942 COC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000139417 [0,1,0,0,0,0|2,0,1]=4 879 B15R1.942 COC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000139417 [0,1,0,0,0,0|2,0,1]=4 880 B15R1.942 COC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000139417 [0,1,0,0,0,0|2,0,1]=4 881 B15R1.942 COC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000139417 [0,1,0,0,0,0|2,0,1]=4 882 B15R1.959 C=C(CCCC(=O)CC)c1ccccc1 1458a_200009911520_100000210202 [0,1,0,0,0,0|1,0,1]=3 883 B15R1.959 C=C(CCCC(=O)CF)c1ccccc1 1458a_200009911520_100015361967 [0,1,0,0,0,0|2,0,1]=4 884 B15R1.959 C=C(CCCC(=O)NC)c1ccccc1 11a_106832991635_200009911520 [0,1,0,0,0,0|2,0,1]=4 885 B15R1.959 C=C(CCCC(=O)NC)c1ccccc1 1626a_100102657272_200009911520 [0,1,0,0,0,0|2,0,1]=4 886 B15R1.959 C=C(CCCC(=O)NC)c1ccccc1 240690a_100102657272_200009911520 [0,1,0,0,0,0|2,0,1]=4 887 B15R1.959 C=C(CCCC(=O)NC)c1ccccc1 527a_100102657272_200009911520 [0,1,0,0,0,0|2,0,1]=4 888 B15R1.959 C=CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009813456 [0,1,0,0,0,0|0,0,3]=4 889 B15R1.959 CCC(=O)CCCC(=O)c1ccccc1 1458a_100000210414_100000211006 [0,1,0,0,0,0|1,0,1]=3 890 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210202 [0,1,0,0,0,0|2,0,0]=3 891 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000210414_200011215302 [0,1,0,0,0,0|2,0,0]=3 892 B15R1.959 CCC(=O)CCOC(=O)c1ccccc1 1458a_100000210414_100000184176 [0,1,0,0,0,0|2,0,0]=3 893 B15R1.959 CCC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000747405 [0,1,0,0,0,0|2,0,1]=4 894 B15R1.959 CCC(=O)CSCC(=O)c1ccccc1 62a_100000747405_100000211460 [0,1,0,0,0,0|2,0,1]=4 895 B15R1.959 CCC(=O)NCCC(O)c1ccccc1 240690a_100000763605_100000210414 [0,1,0,0,0,0|1,0,2]=4 896 B15R1.959 CCC(=O)NCCC(O)c1ccccc1 527a_100000763605_100000210414 [0,1,0,0,0,0|1,0,2]=4 897 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 240690a_100000231046_100000210414 [0,1,0,0,0,0|2,0,1]=4 898 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 527a_100000231046_100000210414 [0,1,0,0,0,0|2,0,1]=4 899 B15R1.959 CCC(=O)NN=CC(C)c1ccccc1 4a_100000183195_100000212034 [0,1,0,0,0,0|2,0,1]=4 900 B15R1.959 CCC(C)OCCC(=O)c1ccccc1 7a_100000210228_100000750707 [0,1,0,0,0,0|1,0,2]=4 901 B15R1.959 CCC(C)OCOC(=O)c1ccccc1 7a_100000210228_100000073877 [0,1,0,0,0,0|2,0,1]=4 902 B15R1.959 CNC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100000741757 [0,1,0,0,0,0|2,0,1]=4 903 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 11a_100000738227_100000185807 [0,1,0,0,0,0|3,0,0]=4 904 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 11a_106832991635_100000182757 [0,1,0,0,0,0|3,0,0]=4 905 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 1626a_100102657272_100000182757 [0,1,0,0,0,0|3,0,0]=4 906 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 240690a_100000738227_100000185807 [0,1,0,0,0,0|3,0,0]=4 907 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 240690a_100102657272_100000182757 [0,1,0,0,0,0|3,0,0]=4 908 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 527a_100000738227_100000185807 [0,1,0,0,0,0|3,0,0]=4 909 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 527a_100102657272_100000182757 [0,1,0,0,0,0|3,0,0]=4 910 B15R1.959 CNC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011997002 [0,1,0,0,0,0|1,0,1]=3 911 B15R1.959 CNC(=O)OCCN(C)c1ccccc1 269982a_100000210012_200011997002 [0,1,0,0,0,0|2,0,1]=4 912 B15R1.959 CNC(=O)OCCN(C)c1ccccc1 34a_100000210012_200011997002 [0,1,0,0,0,0|2,0,1]=4 913 B15R1.959 COC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011218270 [0,1,0,0,0,0|2,0,1]=4 914 B15R1.959 COC(=O)CCNC(=O)c1ccccc1 188690a_100000683876_100000185807 [0,1,0,0,0,0|3,0,0]=4 915 B15R1.959 COC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000139417 [0,1,0,0,0,0|2,0,1]=4 916 B15R1.959 O=C(CF)CCNC(=O)c1ccccc1 1458a_100000182757_100015361967 [0,1,0,0,0,0|3,0,0]=4 917 B15R1.959 O=C(CO)CCCC(=O)c1ccccc1 1458a_100000210174_100000211006 [0,1,0,0,0,0|2,0,1]=4 918 B15R1.959 O=C(CO)CCNC(=O)c1ccccc1 1458a_100000210174_200011215302 [0,1,0,0,0,0|3,0,0]=4 919 B15R1.959 O=C(CO)CCOC(=O)c1ccccc1 1458a_100000210174_100000184176 [0,1,0,0,0,0|3,0,0]=4 920 B15R1.964 C/C(=C\c1ccccc1)/COC(C)CO 34a_200025717232_100012180447 [0,1,0,0,0,0|2,0,1]=4 921 B15R1.964 C/C(=C\c1ccccc1)/COC(C)CO 7a_200025717232_100012180447 [0,1,0,0,0,0|2,0,1]=4 922 B15R1.964 CCC(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_100000210202 [0,1,0,0,0,0|2,0,1]=4 923 B15R1.964 CCC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_100000210202 [0,1,0,0,0,0|2,0,0]=3 924 B15R1.964 CCC(=O)CCC(=O)Nc1ccccc1 1458a_100000210414_100000242058 [0,1,0,0,0,0|2,0,0]=3 925 B15R1.964 CCC(=O)CCC(=O)Oc1ccccc1 1458a_100000210414_200000035796 [0,1,0,0,0,0|2,0,0]=3 926 B15R1.964 CCC(=O)CCN(C)Cc1ccccc1 1458a_100000177486_100000210202 [0,1,0,0,0,0|2,0,1]=4 927 B15R1.964 CCC(=O)CCN(C)Cc1ccccc1 1458a_100000210414_100015196923 [0,1,0,0,0,0|2,0,1]=4 928 B15R1.964 CCC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_100000210202 [0,1,0,0,0,0|2,0,1]=4 929 B15R1.964 CCC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_100000210202 [0,1,0,0,0,0|3,0,0]=4 930 B15R1.964 CCC(=O)NCC(=O)Cc1ccccc1 1458a_100000194589_100015291786 [0,1,0,0,0,0|1,0,1]=3 931 B15R1.964 CCC(=O)NCC(=O)Cc1ccccn1 1458a_100000194589_100000721315 [0,1,0,0,0,0|2,0,1]=4 932 B15R1.964 CCC(=O)NCC(=O)Cc1cccnc1 1458a_100000194589_100000733263 [0,1,0,0,0,0|2,0,1]=4 933 B15R1.964 CCC(=O)NCC(=O)Cc1ccncc1 1458a_100000194589_100000705612 [0,1,0,0,0,0|2,0,1]=4 934 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000194589 [0,1,0,0,0,0|2,0,0]=3 935 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000210414 [0,1,0,0,0,0|2,0,0]=3 936 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000194589 [0,1,0,0,0,0|2,0,0]=3 937 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000210414 [0,1,0,0,0,0|2,0,0]=3 938 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000194589 [0,1,0,0,0,0|2,0,0]=3 939 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000210414 [0,1,0,0,0,0|2,0,0]=3 940 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000194589 [0,1,0,0,0,0|2,0,0]=3 941 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000210414 [0,1,0,0,0,0|2,0,0]=3 942 B15R1.964 CCC(=O)NCC(C)Oc1ccccc1 11a_100000755676_100000210414 [0,1,0,0,0,0|2,0,1]=4 943 B15R1.964 CCC(=O)NCC(C)Oc1ccccc1 1626a_100000755676_100000210414 [0,1,0,0,0,0|2,0,1]=4 944 B15R1.964 CCC(=O)NCC(C)Oc1ccccc1 240690a_100000755676_100000210414 [0,1,0,0,0,0|2,0,1]=4 945 B15R1.964 CCC(=O)NCC(C)Oc1ccccc1 527a_100000755676_100000210414 [0,1,0,0,0,0|2,0,1]=4 946 B15R1.964 CCC(=O)NCC(O)Cc1ccccc1 240690a_100000752270_100000210414 [0,1,0,0,0,0|1,0,2]=4 947 B15R1.964 CCC(=O)NCC(O)Cc1ccccc1 527a_100000752270_100000210414 [0,1,0,0,0,0|1,0,2]=4 948 B15R1.964 CCC(=O)NNC(=O)Cc1ccccc1 22a_100000182964_100000210414 [0,1,0,0,0,0|2,0,1]=4 949 B15R1.964 CCC(C)OC/C(=C/c1ccccc1)/C 34a_200025717232_100011215416 [0,1,0,0,0,0|1,0,1]=3 950 B15R1.964 CCC(C)OC/C(=C/c1ccccc1)/C 7a_200025717232_100000758301 [0,1,0,0,0,0|1,0,1]=3 951 B15R1.964 CCC(C)OCC(=O)Cc1ccccc1 7a_100000210228_100000233483 [0,1,0,0,0,0|1,0,2]=4 952 B15R1.964 CCC(C)OCC(=O)Nc1ccccc1 34a_100000246334_100011215416 [0,1,0,0,0,0|2,0,1]=4 953 B15R1.964 CCC(C)OCC(=O)Nc1ccccc1 7a_100000210228_100000182850 [0,1,0,0,0,0|2,0,1]=4 954 B15R1.964 CCC(C)OCC(=O)Oc1ccccc1 7a_100000210228_100009813826 [0,1,0,0,0,0|2,0,1]=4 955 B15R1.964 CCS(=O)CCC(=O)Cc1ccccc1 1458a_100011387550_100015291786 [0,1,0,0,0,0|2,0,1]=4 956 B15R1.964 CCS(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100011387550 [0,1,0,0,0,0|3,0,0]=4 957 B15R1.964 CCS(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100011387550 [0,1,0,0,0,0|3,0,0]=4 958 B15R1.964 CCS(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011387550 [0,1,0,0,0,0|3,0,0]=4 959 B15R1.964 CNC(=O)CCC(=O)Cc1ccccc1 1458a_100011309844_100015291786 [0,1,0,0,0,0|2,0,1]=4 960 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100011309844 [0,1,0,0,0,0|3,0,0]=4 961 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 11a_106832991635_100000180958 [0,1,0,0,0,0|3,0,0]=4 962 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100011309844 [0,1,0,0,0,0|3,0,0]=4 963 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011309844 [0,1,0,0,0,0|3,0,0]=4 964 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 240690a_100102657272_100000180958 [0,1,0,0,0,0|3,0,0]=4 965 B15R1.964 CNC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011309844 [0,1,0,0,0,0|3,0,0]=4 966 B15R1.964 CNC(=O)NCC(=O)Nc1ccccc1 2708a_100102657272_100000742222 [0,1,0,0,0,0|3,0,0]=4 967 B15R1.964 CNC(=O)NCC(=O)Nc1ccccc1 273464a_100102657272_100000742222 [0,1,0,0,0,0|3,0,0]=4 968 B15R1.964 CNC(=O)NCC(=O)Nc1ccccc1 512a_106832991638_100000742222 [0,1,0,0,0,0|3,0,0]=4 969 B15R1.964 COC(=O)CCC(=O)Cc1ccccc1 1458a_100000187943_100015291786 [0,1,0,0,0,0|2,0,1]=4 970 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100000187943 [0,1,0,0,0,0|3,0,0]=4 971 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000187943 [0,1,0,0,0,0|3,0,0]=4 972 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100000187943 [0,1,0,0,0,0|3,0,0]=4 973 B15R1.964 COC(=O)NCC(=O)Cc1ccccc1 1458a_100000215747_100015291786 [0,1,0,0,0,0|2,0,1]=4 974 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000215747 [0,1,0,0,0,0|3,0,0]=4 975 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000215747 [0,1,0,0,0,0|3,0,0]=4 976 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000215747 [0,1,0,0,0,0|3,0,0]=4 977 B15R1.964 COC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000215747 [0,1,0,0,0,0|3,0,0]=4 978 B15R1.964 O=C(CF)CCC(=O)Nc1ccccc1 1458a_100000180958_100015361967 [0,1,0,0,0,0|3,0,0]=4 979 B15R1.964 O=C(CO)CCC(=O)Nc1ccccc1 1458a_100000210174_100000242058 [0,1,0,0,0,0|3,0,0]=4 980 B15R1.964 O=C(CO)CCC(=O)Oc1ccccc1 1458a_100000210174_200000035796 [0,1,0,0,0,0|3,0,0]=4 981 B15R1.964 O=C(CO)NCC(=O)Nc1ccccc1 240690a_100000742222_100000210174 [0,1,0,0,0,0|3,0,0]=4 982 B15R1.964 O=C(CO)NCC(=O)Nc1ccccc1 527a_100000742222_100000210174 [0,1,0,0,0,0|3,0,0]=4 983 B15R1.1091 CCC(=O)CCCOc1ccccc1Br 1458a_100000210414_200011259276 [0,1,0,0,0,0|2,0,1]=4 984 B15R1.1091 CCC(=O)CCCOc1ccccc1C 1458a_100000210414_100000742659 [0,1,0,0,0,0|2,0,1]=4 985 B15R1.1091 CCC(=O)CCCOc1ccccc1C 1458a_100000735866_100000210202 [0,1,0,0,0,0|2,0,1]=4 986 B15R1.1091 CCC(=O)CCCOc1ccccc1Cl 1458a_100000747900_100000210202 [0,1,0,0,0,0|2,0,1]=4 987 B15R1.1091 CCC(=O)CCCOc1ccccc1F 1458a_100000210414_100011203253 [0,1,0,0,0,0|2,0,1]=4 988 B15R1.1091 CCC(=O)CCCSc1ccccc1Cl 1458a_100000210414_100000750589 [0,1,0,0,0,0|2,0,1]=4 989 B15R1.1091 CCC(=O)NCCCc1ccccc1F 11a_100000724733_100000210414 [0,1,0,0,0,0|1,0,2]=4 990 B15R1.1091 CCC(=O)NCCCc1ccccc1F 1626a_100000724733_100000210414 [0,1,0,0,0,0|1,0,2]=4 991 B15R1.1091 CCC(=O)NCCCc1ccccc1F 240690a_100000724733_100000210414 [0,1,0,0,0,0|1,0,2]=4 992 B15R1.1091 CCC(=O)NCCCc1ccccc1F 527a_100000724733_100000210414 [0,1,0,0,0,0|1,0,2]=4 993 B15R1.1091 CCC(=O)NCCOc1ccccc1Br 11a_100000744007_100000210414 [0,1,0,0,0,0|2,0,1]=4 994 B15R1.1091 CCC(=O)NCCOc1ccccc1Br 1626a_100000744007_100000210414 [0,1,0,0,0,0|2,0,1]=4 995 B15R1.1091 CCC(=O)NCCOc1ccccc1Br 240690a_100000744007_100000210414 [0,1,0,0,0,0|2,0,1]=4 996 B15R1.1091 CCC(=O)NCCOc1ccccc1Br 527a_100000744007_100000210414 [0,1,0,0,0,0|2,0,1]=4 997 B15R1.1091 CCC(=O)NCCOc1ccccc1C 11a_100000743344_100000210414 [0,1,0,0,0,0|2,0,1]=4 998 B15R1.1091 CCC(=O)NCCOc1ccccc1C 1626a_100000743344_100000210414 [0,1,0,0,0,0|2,0,1]=4 999 B15R1.1091 CCC(=O)NCCOc1ccccc1C 240690a_100000743344_100000210414 [0,1,0,0,0,0|2,0,1]=4 1000 B15R1.1091 CCC(=O)NCCOc1ccccc1C 527a_100000743344_100000210414 [0,1,0,0,0,0|2,0,1]=4 1001 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl 11a_100000174932_100000210414 [0,1,0,0,0,0|2,0,1]=4 1002 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl 1626a_100000174932_100000210414 [0,1,0,0,0,0|2,0,1]=4 1003 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl 240690a_100000174932_100000210414 [0,1,0,0,0,0|2,0,1]=4 1004 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl 527a_100000174932_100000210414 [0,1,0,0,0,0|2,0,1]=4 1005 B15R1.1091 CCC(=O)NCCOc1ccccc1F 11a_100000683764_100000210414 [0,1,0,0,0,0|2,0,1]=4 1006 B15R1.1091 CCC(=O)NCCOc1ccccc1F 1626a_100000683764_100000210414 [0,1,0,0,0,0|2,0,1]=4 1007 B15R1.1091 CCC(=O)NCCOc1ccccc1F 240690a_100000683764_100000210414 [0,1,0,0,0,0|2,0,1]=4 1008 B15R1.1091 CCC(=O)NCCOc1ccccc1F 527a_100000683764_100000210414 [0,1,0,0,0,0|2,0,1]=4 1009 B15R1.1091 CCC(=O)NN=CCc1ccccc1Cl 4a_100000183195_200011713468 [0,1,0,0,0,0|2,0,1]=4 1010 B15R1.1091 CCC(=O)NN=CCc1ccccc1F 4a_100000183195_200000687578 [0,1,0,0,0,0|2,0,1]=4 1011 B15R1.1091 CCC(C)NCC=Cc1ccccc1Br 270004a_100000209981_200016268969 [0,1,0,0,0,0|2,0,1]=4 1012 B15R1.1091 CCC(C)NCC=Cc1ccccc1Cl 270004a_100000209981_200102525841 [0,1,0,0,0,0|2,0,1]=4 1013 B15R1.1091 CCC(C)NCC=Cc1ccccc1F 270004a_100000209981_200102525844 [0,1,0,0,0,0|2,0,1]=4 1014 B15R1.1091 CNC(=O)OCCNc1ccccc1Br 34a_100000210017_200011997002 [0,1,0,0,0,0|2,0,1]=4 1015 B15R1.1091 CNC(=O)OCCNc1ccccc1C 34a_100015192222_200011997002 [0,1,0,0,0,0|2,0,1]=4 1016 B15R1.1091 CNC(=O)OCCNc1ccccc1Cl 34a_100000185783_200011997002 [0,1,0,0,0,0|2,0,1]=4 1017 B15R1.1091 CNC(=O)OCCNc1ccccc1F 34a_100000210422_200011997002 [0,1,0,0,0,0|2,0,1]=4 1018 B15R1.1091 CNC(=O)OCCNc1ccccc1I 34a_100000210053_200011997002 [0,1,0,0,0,0|2,0,1]=4 1019 B15R1.1091 CNC(=O)OCCNc1ccccc1O 34a_100000185747_200011997002 [0,1,0,0,0,0|2,0,1]=4 1020 B15R1.1091 CNC(=O)OCCOc1ccccc1Br 34a_100000181306_200011997002 [0,1,0,0,0,0|2,0,1]=4 1021 B15R1.1091 CNC(=O)OCCOc1ccccc1Br 7a_100000181306_200011997002 [0,1,0,0,0,0|2,0,1]=4 1022 B15R1.1091 CNC(=O)OCCOc1ccccc1C 34a_100000210338_200011997002 [0,1,0,0,0,0|2,0,1]=4 1023 B15R1.1091 CNC(=O)OCCOc1ccccc1C 7a_100000210338_200011997002 [0,1,0,0,0,0|2,0,1]=4 1024 B15R1.1091 CNC(=O)OCCOc1ccccc1Cl 34a_100000210172_200011997002 [0,1,0,0,0,0|2,0,1]=4 1025 B15R1.1091 CNC(=O)OCCOc1ccccc1Cl 7a_100000210172_200011997002 [0,1,0,0,0,0|2,0,1]=4 1026 B15R1.1091 CNC(=O)OCCOc1ccccc1F 34a_100000210171_200011997002 [0,1,0,0,0,0|2,0,1]=4 1027 B15R1.1091 CNC(=O)OCCOc1ccccc1F 7a_100000210171_200011997002 [0,1,0,0,0,0|2,0,1]=4 1028 B15R1.1091 CNC(=O)OCCOc1ccccc1I 34a_100000739446_200011997002 [0,1,0,0,0,0|2,0,1]=4 1029 B15R1.1091 CNC(=O)OCCOc1ccccc1I 7a_100000739446_200011997002 [0,1,0,0,0,0|2,0,1]=4 1030 B15R1.1091 CNC(=O)OCCOc1ccccc1N 34a_100000185747_200011997002 [0,1,0,0,0,0|2,0,1]=4 1031 B15R1.1091 CNC(=O)OCCOc1ccccc1N 7a_100000185747_200011997002 [0,1,0,0,0,0|2,0,1]=4 1032 B15R1.1091 CNC(=O)OCCSc1ccccc1Br 62a_100000695589_200011997002 [0,1,0,0,0,0|2,0,1]=4 1033 B15R1.1091 CNC(=O)OCCSc1ccccc1Br 62a_200011997002_100000695589 [0,1,0,0,0,0|2,0,1]=4 1034 B15R1.1091 CNC(=O)OCCSc1ccccc1C 62a_100000210755_200011997002 [0,1,0,0,0,0|2,0,1]=4 1035 B15R1.1091 CNC(=O)OCCSc1ccccc1C 62a_200011997002_100000210755 [0,1,0,0,0,0|2,0,1]=4 1036 B15R1.1091 CNC(=O)OCCSc1ccccc1Cl 62a_100000764095_200011997002 [0,1,0,0,0,0|2,0,1]=4 1037 B15R1.1091 CNC(=O)OCCSc1ccccc1Cl 62a_200011997002_100000764095 [0,1,0,0,0,0|2,0,1]=4 1038 B15R1.1091 CNC(=O)OCCSc1ccccc1F 62a_100011215700_200011997002 [0,1,0,0,0,0|2,0,1]=4 1039 B15R1.1091 CNC(=O)OCCSc1ccccc1F 62a_200011997002_100011215700 [0,1,0,0,0,0|2,0,1]=4 1040 B15R1.1091 CNC(=O)OCCSc1ccccc1N 62a_100000210017_200011997002 [0,1,0,0,0,0|2,0,1]=4 1041 B15R1.1091 CNC(=O)OCCSc1ccccc1N 62a_200011997002_100000210017 [0,1,0,0,0,0|2,0,1]=4 1042 B15R1.1091 CNC(=O)OCCSc1ccccc1O 62a_100000739446_200011997002 [0,1,0,0,0,0|2,0,1]=4 1043 B15R1.1091 CNC(=O)OCCSc1ccccc1O 62a_200011997002_100000739446 [0,1,0,0,0,0|2,0,1]=4 1044 B15R1.1091 COC(=O)OCSCc1ccccc1Br 62a_100000184730_100000139417 [0,1,0,0,0,0|2,0,1]=4 1045 B15R1.1091 COC(=O)OCSCc1ccccc1C 62a_100000211839_100000139417 [0,1,0,0,0,0|2,0,1]=4 1046 B15R1.1091 COC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000139417 [0,1,0,0,0,0|2,0,1]=4 1047 B15R1.1091 COC(=O)OCSCc1ccccc1F 62a_100000211605_100000139417 [0,1,0,0,0,0|2,0,1]=4 1048 B15R1.1091 COC(=O)OCSCc1ccccc1I 62a_100011216222_100000139417 [0,1,0,0,0,0|2,0,1]=4 1049 B15R1.1321 C/C=C(\C)/C(=O)C/C=C/c1ccccc1 1458a_100020587367_100016265936 [0,1,0,0,0,0|2,0,1]=4 1050 B15R1.1321 CCC(=O)C(C)CCCc1ccccc1 1458a_100000210414_200010759516 [0,1,0,0,0,0|1,0,2]=4 1051 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 11a_100000693637_100000210414 [0,1,0,0,0,0|1,0,2]=4 1052 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 1626a_100000693637_100000210414 [0,1,0,0,0,0|1,0,2]=4 1053 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 240690a_100000693637_100000210414 [0,1,0,0,0,0|1,0,2]=4 1054 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 527a_100000693637_100000210414 [0,1,0,0,0,0|1,0,2]=4 1055 B15R1.1321 CCC(=O)N(C)CCOc1ccccc1 11a_100000184383_100000210414 [0,1,0,0,0,0|2,0,1]=4 1056 B15R1.1321 CCC(=O)N(C)CCOc1ccccc1 1626a_100000184383_100000210414 [0,1,0,0,0,0|2,0,1]=4 1057 B15R1.1321 CCC(=O)N(C)CCOc1ccccc1 240690a_100000184383_100000210414 [0,1,0,0,0,0|2,0,1]=4 1058 B15R1.1321 CCC(=O)N(C)CCOc1ccccc1 527a_100000184383_100000210414 [0,1,0,0,0,0|2,0,1]=4 1059 B15R1.1321 CCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011192722_100016265936 [0,1,0,0,0,0|2,0,1]=4 1060 B15R1.1321 CCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100000758301 [0,1,0,0,0,0|2,0,1]=4 1061 B15R1.1321 CCC(C)N(C)C/C=C/c1ccccc1 2230a_100000741768_100016265936 [0,1,0,0,0,0|2,0,1]=4 1062 B15R1.1321 CCC(C)N(C)C/C=C/c1ccccc1 2230a_100020603573_200000210301 [0,1,0,0,0,0|2,0,1]=4 1063 B15R1.1321 CCC(C)N(C)C/C=C/c1ccccc1 269982a_100000741768_100016265936 [0,1,0,0,0,0|2,0,1]=4 1064 B15R1.1321 CCC(C)N(C)C/C=C/c1ccccc1 269982a_100020603573_200000210301 [0,1,0,0,0,0|2,0,1]=4 1065 B15R1.1321 CCC(C)N(C)CC=Cc1ccccc1 270004a_100000741768_100000210105 [0,1,0,0,0,0|2,0,1]=4 1066 B15R1.1321 CCC(C)N([13CH3])C/C=C/c1ccccc1 2230a_100020603573_200025704644 [0,1,0,0,0,0|2,0,1]=4 1067 B15R1.1321 CCC(C)N([13CH3])C/C=C/c1ccccc1 269982a_100020603573_200025704644 [0,1,0,0,0,0|2,0,1]=4 1068 B15R1.1321 CCC(O)C(=O)C/C=C/c1ccccc1 1458a_100011196387_100016265936 [0,1,0,0,0,0|1,0,2]=4 1069 B15R1.1321 CCN(C)C(=O)C/C=C/c1ccccc1 11a_100000225621_100011219626 [0,1,0,0,0,0|3,0,0]=4 1070 B15R1.1321 CCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000225621_100011219626 [0,1,0,0,0,0|3,0,0]=4 1071 B15R1.1321 CCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000225621_100011219626 [0,1,0,0,0,0|3,0,0]=4 1072 B15R1.1321 CNC(=O)C(=O)C/C=C/c1ccccc1 1458a_100011218921_100016265936 [0,1,0,0,0,0|2,0,0]=3 1073 B15R1.3664 C=C(Br)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100009813364 [0,1,0,0,0,0|1,0,2]=4 1074 B15R1.3664 C=C(Br)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100009813364 [0,1,0,0,0,0|1,0,2]=4 1075 B15R1.3664 C=C(C)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000185857 [0,1,0,0,0,0|1,0,1]=3 1076 B15R1.3664 C=C(C)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000185857 [0,1,0,0,0,0|1,0,1]=3 1077 B15R1.3664 C=C(C)C(=O)OCCNc1ccccc1 34a_100000106764_100009816335 [0,1,0,0,0,0|1,0,2]=4 1078 B15R1.3664 C=C(C)C(=O)OCCOc1ccccc1 34a_100000210340_100009816335 [0,1,0,0,0,0|1,0,2]=4 1079 B15R1.3664 C=C(C)C(=O)OCCOc1ccccc1 7a_100000210340_100009816335 [0,1,0,0,0,0|1,0,2]=4 1080 B15R1.3664 C=C(C)C(=O)OCCSc1ccccc1 62a_100000719477_100009816335 [0,1,0,0,0,0|1,0,2]=4 1081 B15R1.3664 C=C(C)C(=O)OCCSc1ccccc1 62a_100009816335_100000041952 [0,1,0,0,0,0|1,0,2]=4 1082 B15R1.3664 C=C(Cl)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000039160 [0,1,0,0,0,0|1,0,2]=4 1083 B15R1.3664 C=C(Cl)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000039160 [0,1,0,0,0,0|1,0,2]=4 1084 B15R1.3664 C=C(F)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000036797 [0,1,0,0,0,0|1,0,2]=4 1085 B15R1.3664 C=C(F)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000036797 [0,1,0,0,0,0|1,0,2]=4 1086 B15R1.3664 CC(=O)C(C)OC/C=C/c1ccccc1 34a_100000212229_100016265936 [0,1,0,0,0,0|1,0,2]=4 1087 B15R1.3664 CC(C)C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210206 [0,1,0,0,0,0|1,0,1]=3 1088 B15R1.3664 CC(C)C(=O)CCCCc1ccccc1 1458a_100000210198_100000701786 [0,1,0,0,0,0|1,0,2]=4 1089 B15R1.3664 CC(C)C(=O)CCCCc1ccccc1 1458a_100011215911_100000210206 [0,1,0,0,0,0|1,0,2]=4 1090 B15R1.3664 CC(C)C(=O)CCCOc1ccccc1 1458a_100000210198_100000199009 [0,1,0,0,0,0|2,0,1]=4 1091 B15R1.3664 CC(C)C(=O)CCCOc1ccccc1 1458a_100000212059_100000210206 [0,1,0,0,0,0|2,0,1]=4 1092 B15R1.3664 CC(C)C(=O)CCCSc1ccccc1 1458a_100000182835_100000210206 [0,1,0,0,0,0|2,0,1]=4 1093 B15R1.3664 CC(C)C(=O)CCCSc1ccccc1 1458a_100000210198_200011203293 [0,1,0,0,0,0|2,0,1]=4 1094 B15R1.3664 CC(C)C(=O)CCOCc1ccccc1 1458a_100000210198_100000234347 [0,1,0,0,0,0|2,0,1]=4 1095 B15R1.3664 CC(C)C(=O)CCOCc1ccccc1 1458a_100000743319_100000210206 [0,1,0,0,0,0|2,0,1]=4 1096 B15R1.3664 CC(C)C(=O)CCSCc1ccccc1 1458a_100000173759_100000210206 [0,1,0,0,0,0|2,0,1]=4 1097 B15R1.3664 CC(C)C(=O)CCSCc1ccccc1 1458a_100000210198_200011297719 [0,1,0,0,0,0|2,0,1]=4 1098 B15R1.3664 CC(C)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210198 [0,1,0,0,0,0|1,0,0]=2 1099 B15R1.3664 CC(C)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210198 [0,1,0,0,0,0|1,0,0]=2 1100 B15R1.3664 CC(C)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210198 [0,1,0,0,0,0|1,0,0]=2 1101 B15R1.3664 CC(C)C(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210198 [0,1,0,0,0,0|1,0,0]=2 1102 B15R1.3664 CC(C)C(=O)NCC#Cc1ccccc1 11a_100000735379_100000210198 [0,1,0,0,0,0|1,0,2]=4 1103 B15R1.3664 CC(C)C(=O)NCC#Cc1ccccc1 1626a_100000735379_100000210198 [0,1,0,0,0,0|1,0,2]=4 1104 B15R1.3664 CC(C)C(=O)NCC#Cc1ccccc1 240690a_100000735379_100000210198 [0,1,0,0,0,0|1,0,2]=4 1105 B15R1.3664 CC(C)C(=O)NCC#Cc1ccccc1 527a_100000735379_100000210198 [0,1,0,0,0,0|1,0,2]=4 1106 B15R1.3664 CC(C)C(=O)NCCCc1ccccc1 11a_100000211184_100000210198 [0,1,0,0,0,0|1,0,2]=4 1107 B15R1.3664 CC(C)C(=O)NCCCc1ccccc1 1626a_100000211184_100000210198 [0,1,0,0,0,0|1,0,2]=4 1108 B15R1.3664 CC(C)C(=O)NCCCc1ccccc1 240690a_100000211184_100000210198 [0,1,0,0,0,0|1,0,2]=4 1109 B15R1.3664 CC(C)C(=O)NCCCc1ccccc1 527a_100000211184_100000210198 [0,1,0,0,0,0|1,0,2]=4 1110 B15R1.3664 CC(C)C(=O)NCCOc1ccccc1 11a_100000174943_100000210198 [0,1,0,0,0,0|2,0,1]=4 1111 B15R1.3664 CC(C)C(=O)NCCOc1ccccc1 1626a_100000174943_100000210198 [0,1,0,0,0,0|2,0,1]=4 1112 B15R1.3664 CC(C)C(=O)NCCOc1ccccc1 240690a_100000174943_100000210198 [0,1,0,0,0,0|2,0,1]=4 1113 B15R1.3664 CC(C)C(=O)NCCOc1ccccc1 527a_100000174943_100000210198 [0,1,0,0,0,0|2,0,1]=4 1114 B15R1.3664 CC(C)C(=O)NCCSc1ccccc1 240690a_100000189519_100000210198 [0,1,0,0,0,0|2,0,1]=4 1115 B15R1.3664 CC(C)C(=O)NCCSc1ccccc1 527a_100000189519_100000210198 [0,1,0,0,0,0|2,0,1]=4 1116 B15R1.3664 CC(C)C(=O)NN=CCc1ccccc1 4a_100000184118_100000209964 [0,1,0,0,0,0|2,0,1]=4 1117 B15R1.3664 CC(C)C(=O)OCSCc1ccccc1 62a_100000139345_100015291786 [0,1,0,0,0,0|1,0,1]=3 1118 B15R1.3664 CC(C)C(=O)OCSCc1ccccc1 62a_100000211182_100000139345 [0,1,0,0,0,0|1,0,1]=3 1119 B15R1.3664 CC(C)C(=O)OCSCc1ccccn1 62a_100000139345_100000721315 [0,1,0,0,0,0|2,0,1]=4 1120 B15R1.3664 CC(C)C(=O)OCSCc1ccccn1 62a_100000721315_100000139345 [0,1,0,0,0,0|2,0,1]=4 1121 B15R1.3664 CC(C)C(=O)OCSCc1cccnc1 62a_100000139345_100000741622 [0,1,0,0,0,0|2,0,1]=4 1122 B15R1.3664 CC(C)C(=O)OCSCc1cccnc1 62a_100000741622_100000139345 [0,1,0,0,0,0|2,0,1]=4 1123 B15R1.3664 CC(C)C(=O)OCSCc1ccncc1 62a_100000139345_100015193705 [0,1,0,0,0,0|2,0,1]=4 1124 B15R1.3664 CC(C)C(=O)OCSCc1ccncc1 62a_100015193705_100000139345 [0,1,0,0,0,0|2,0,1]=4 1125 B15R1.3664 CC(C)C(C)NC/C=C/c1ccccc1 2230a_100000211541_100016265936 [0,1,0,0,0,0|2,0,1]=4 1126 B15R1.3664 CC(C)C(C)NCC=Cc1ccccc1 270004a_100000211541_100000210105 [0,1,0,0,0,0|2,0,1]=4 1127 B15R1.3664 CC(C)C(C)OC/C=C/c1ccccc1 7a_100000748068_100016265936 [0,1,0,0,0,0|1,0,1]=3 1128 B15R1.3664 CC(F)C(=O)CCCCc1ccccc1 1458a_100000062450_100000701786 [0,1,0,0,0,0|1,0,2]=4 1129 B15R1.3664 CC(F)C(=O)CCCOc1ccccc1 1458a_100000062450_100000199009 [0,1,0,0,0,0|2,0,1]=4 1130 B15R1.3664 CC(F)C(=O)CCCSc1ccccc1 1458a_100000062450_200011203293 [0,1,0,0,0,0|2,0,1]=4 1131 B15R1.3664 CC(F)C(=O)CCOCc1ccccc1 1458a_100000062450_100000234347 [0,1,0,0,0,0|2,0,1]=4 1132 B15R1.3664 CC(F)C(=O)CCSCc1ccccc1 1458a_100000062450_200011297719 [0,1,0,0,0,0|2,0,1]=4 1133 B15R1.3664 CC(F)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000062450 [0,1,0,0,0,0|1,0,0]=2 1134 B15R1.3664 CC(F)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000062450 [0,1,0,0,0,0|1,0,0]=2 1135 B15R1.3664 CC(F)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000062450 [0,1,0,0,0,0|1,0,0]=2 1136 B15R1.3664 CC(F)C(=O)NC/C=C/c1ccccc1 527a_100020603302_100000062450 [0,1,0,0,0,0|1,0,0]=2 1137 B15R1.3664 CC(F)C(=O)NCC#Cc1ccccc1 11a_100000735379_100000062450 [0,1,0,0,0,0|1,0,2]=4 1138 B15R1.3664 CC(F)C(=O)NCC#Cc1ccccc1 1626a_100000735379_100000062450 [0,1,0,0,0,0|1,0,2]=4 1139 B15R1.3664 CC(F)C(=O)NCC#Cc1ccccc1 240690a_100000735379_100000062450 [0,1,0,0,0,0|1,0,2]=4 1140 B15R1.3664 CC(F)C(=O)NCC#Cc1ccccc1 527a_100000735379_100000062450 [0,1,0,0,0,0|1,0,2]=4 1141 B15R1.3664 CC(F)C(=O)NCCCc1ccccc1 11a_100000211184_100000062450 [0,1,0,0,0,0|1,0,2]=4 1142 B15R1.3664 CC(F)C(=O)NCCCc1ccccc1 1626a_100000211184_100000062450 [0,1,0,0,0,0|1,0,2]=4 1143 B15R1.3664 CC(F)C(=O)NCCCc1ccccc1 240690a_100000211184_100000062450 [0,1,0,0,0,0|1,0,2]=4 1144 B15R1.3664 CC(F)C(=O)NCCCc1ccccc1 527a_100000211184_100000062450 [0,1,0,0,0,0|1,0,2]=4 1145 B15R1.3664 CC(F)C(=O)NCCOc1ccccc1 11a_100000174943_100000062450 [0,1,0,0,0,0|2,0,1]=4 1146 B15R1.3664 CC(F)C(=O)NCCOc1ccccc1 1626a_100000174943_100000062450 [0,1,0,0,0,0|2,0,1]=4 1147 B15R1.3664 CC(F)C(=O)NCCOc1ccccc1 240690a_100000174943_100000062450 [0,1,0,0,0,0|2,0,1]=4 1148 B15R1.3664 CC(F)C(=O)NCCOc1ccccc1 527a_100000174943_100000062450 [0,1,0,0,0,0|2,0,1]=4 1149 B15R1.3664 CC(F)C(=O)NCCSc1ccccc1 240690a_100000189519_100000062450 [0,1,0,0,0,0|2,0,1]=4 1150 B15R1.3664 CC(F)C(=O)NCCSc1ccccc1 527a_100000189519_100000062450 [0,1,0,0,0,0|2,0,1]=4 1151 B15R1.3664 CN(C)C(=O)C=C/C=C/c1ccccc1 1626a_100102631434_100016289705 [0,1,0,0,0,0|2,0,1]=4 1152 B15R1.3664 CN(C)C(=O)NC/C=C/c1ccccc1 2708a_100020603302_100102631434 [0,1,0,0,0,0|2,0,0]=3 1153 B15R1.3664 C[C@@H](O)C(=O)CCCCc1ccccc1 1458a_100000717761_100000701786 [0,1,0,0,0,0|1,0,2]=4 1154 B15R1.3664 C[C@@H](O)C(=O)CCCOc1ccccc1 1458a_100000717761_100000199009 [0,1,0,0,0,0|2,0,1]=4 1155 B15R1.3664 C[C@@H](O)C(=O)CCCSc1ccccc1 1458a_100000717761_200011203293 [0,1,0,0,0,0|2,0,1]=4 1156 B15R1.3664 C[C@@H](O)C(=O)CCOCc1ccccc1 1458a_100000717761_100000234347 [0,1,0,0,0,0|2,0,1]=4 1157 B15R1.3664 C[C@@H](O)C(=O)CCSCc1ccccc1 1458a_100000717761_200011297719 [0,1,0,0,0,0|2,0,1]=4 1158 B15R1.3664 C[C@@H](O)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000717761 [0,1,0,0,0,0|1,0,0]=2 1159 B15R1.3664 C[C@@H](O)C(=O)NCC#Cc1ccccc1 240690a_100000735379_100000717761 [0,1,0,0,0,0|1,0,2]=4 1160 B15R1.3664 C[C@@H](O)C(=O)NCCCc1ccccc1 240690a_100000211184_100000717761 [0,1,0,0,0,0|1,0,2]=4 1161 B15R1.3664 C[C@@H](O)C(=O)NCCOc1ccccc1 240690a_100000174943_100000717761 [0,1,0,0,0,0|2,0,1]=4 1162 B15R1.3664 C[C@@H](O)C(=O)NCCSc1ccccc1 240690a_100000189519_100000717761 [0,1,0,0,0,0|2,0,1]=4 1163 B15R1.3664 C[C@H](O)C(=O)CCCCc1ccccc1 1458a_217856618621_100000701786 [0,1,0,0,0,0|1,0,2]=4 1164 B15R1.3664 C[C@H](O)C(=O)CCCOc1ccccc1 1458a_217856618621_100000199009 [0,1,0,0,0,0|2,0,1]=4 1165 B15R1.3664 C[C@H](O)C(=O)CCCSc1ccccc1 1458a_217856618621_200011203293 [0,1,0,0,0,0|2,0,1]=4 1166 B15R1.3664 C[C@H](O)C(=O)CCOCc1ccccc1 1458a_217856618621_100000234347 [0,1,0,0,0,0|2,0,1]=4 1167 B15R1.3664 C[C@H](O)C(=O)CCSCc1ccccc1 1458a_217856618621_200011297719 [0,1,0,0,0,0|2,0,1]=4 1168 B15R1.3664 C[C@H](O)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_217856618621 [0,1,0,0,0,0|1,0,0]=2 1169 B15R1.3664 C[C@H](O)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_217856618621 [0,1,0,0,0,0|1,0,0]=2 1170 B15R1.3664 C[C@H](O)C(=O)NCC#Cc1ccccc1 1626a_100000735379_217856618621 [0,1,0,0,0,0|1,0,2]=4 1171 B15R1.3664 C[C@H](O)C(=O)NCC#Cc1ccccc1 240690a_100000735379_217856618621 [0,1,0,0,0,0|1,0,2]=4 1172 B15R1.3664 C[C@H](O)C(=O)NCCCc1ccccc1 1626a_100000211184_217856618621 [0,1,0,0,0,0|1,0,2]=4 1173 B15R1.3664 C[C@H](O)C(=O)NCCCc1ccccc1 240690a_100000211184_217856618621 [0,1,0,0,0,0|1,0,2]=4 1174 B15R1.3664 C[C@H](O)C(=O)NCCOc1ccccc1 1626a_100000174943_217856618621 [0,1,0,0,0,0|2,0,1]=4 1175 B15R1.3664 C[C@H](O)C(=O)NCCOc1ccccc1 240690a_100000174943_217856618621 [0,1,0,0,0,0|2,0,1]=4 1176 B15R1.3664 C[C@H](O)C(=O)NCCSc1ccccc1 240690a_100000189519_217856618621 [0,1,0,0,0,0|2,0,1]=4 1177 B15R1.3664 NC(=O)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100011215815 [0,1,0,0,0,0|2,0,1]=4 1178 B15R1.3664 O=C(NC/C=C/c1ccccc1)C(F)F 11a_100020603302_100000210393 [0,1,0,0,0,0|2,0,0]=3 1179 B15R1.3664 O=C(NC/C=C/c1ccccc1)C(F)F 1626a_100020603302_100000210393 [0,1,0,0,0,0|2,0,0]=3 1180 B15R1.3664 O=C(NC/C=C/c1ccccc1)C(F)F 240690a_100020603302_100000210393 [0,1,0,0,0,0|2,0,0]=3 1181 B15R1.3664 O=C(NC/C=C/c1ccccc1)C(F)F 527a_100020603302_100000210393 [0,1,0,0,0,0|2,0,0]=3 1182 B15R1.3664 O=C(NC/C=C/c1ccccc1)C(O)O 240690a_100020603302_100000233687 [0,1,0,0,0,0|2,0,0]=3 1183 B15R2.4 CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000210202 [0,0,0,1,0,0|1,0,2]=4 1184 B15R2.4 CCC(=O)C[n+]1csc2c1cccc2 1458a_100009813389_100000210202 [0,0,0,1,0,0|3,0,0]=4 1185 B15R2.4 CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210202 [0,0,0,1,0,0|2,0,1]=4 1186 B15R2.4 CCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210202 [0,0,0,1,0,0|2,0,1]=4 1187 B15R2.4 CCC(=O)Cc1csc2c1cccc2 1458a_100000210414_200000742921 [0,0,0,1,0,0|2,0,1]=4 1188 B15R2.4 CCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210202 [0,0,0,1,0,0|2,0,1]=4 1189 B15R2.4 CCC(=O)Cn1ccc2c1cccc2 1458a_100000743657_100000210202 [0,0,0,1,0,0|2,0,0]=3 1190 B15R2.4 CCC(=O)Cn1cnc2c1cccc2 1458a_100025771165_100000210202 [0,0,0,1,0,0|3,0,0]=4 1191 B15R2.4 CCC(=O)Cn1ncc2c1cccc2 1458a_100011614043_100000210202 [0,0,0,1,0,0|3,0,0]=4 1192 B15R2.4 CCC(=O)NC1COc2c1cccc2 11a_100000747519_100000210414 [0,0,0,1,0,0|2,0,1]=4 1193 B15R2.4 CCC(=O)NC1COc2c1cccc2 1626a_100000747519_100000210414 [0,0,0,1,0,0|2,0,1]=4 1194 B15R2.4 CCC(=O)NC1COc2c1cccc2 240690a_100000747519_100000210414 [0,0,0,1,0,0|2,0,1]=4 1195 B15R2.4 CCC(=O)NC1COc2c1cccc2 527a_100000747519_100000210414 [0,0,0,1,0,0|2,0,1]=4 1196 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000210414 [0,0,0,1,0,0|1,0,2]=4 1197 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000210414 [0,0,0,1,0,0|1,0,2]=4 1198 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210414 [0,0,0,1,0,0|1,0,2]=4 1199 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210414 [0,0,0,1,0,0|1,0,2]=4 1200 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 11a_106832991635_100000743657 [0,0,0,1,0,0|3,0,0]=4 1201 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 1626a_100102657272_100000743657 [0,0,0,1,0,0|3,0,0]=4 1202 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 240690a_100102657272_100000743657 [0,0,0,1,0,0|3,0,0]=4 1203 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 527a_100102657272_100000743657 [0,0,0,1,0,0|3,0,0]=4 1204 B15R2.4 O=C(CF)Cn1ccc2c1cccc2 1458a_100000743657_100015361967 [0,0,0,1,0,0|3,0,0]=4 1205 B15R2.15 CCc1nc(no1)Nc2ccccc2 27a_100000106764_100012003642 [0,0,0,1,0,0|3,0,0]=4 1206 B15R2.15 CCc1nc(no1)Sc2ccccc2 270196a_100011225313_100000210414 [0,0,0,1,0,0|3,0,0]=4 1207 B15R2.15 CCc1nc(no1)Sc2ccccc2 62a_100000719477_100012003642 [0,0,0,1,0,0|3,0,0]=4 1208 B15R2.15 CCc1nc(no1)Sc2ccccc2 62a_100012003642_100000041952 [0,0,0,1,0,0|3,0,0]=4 1209 B15R2.15 CCc1nc(no1)[Se]c2ccccc2 270196a_100015229233_100000210414 [0,0,0,1,0,0|3,0,0]=4 1210 B15R2.17 CCc1cc(ccn1)c2ccccc2 271570a_100011218836_100009820011 [0,0,0,1,0,0|2,0,1]=4 1211 B15R2.17 CCc1cccc(c1)c2ccccc2 271570a_100011218836_100000684523 [0,0,0,1,0,0|2,0,1]=4 1212 B15R2.17 CCc1cccc(c1)c2ccccc2 271570a_100012343334_100000210277 [0,0,0,1,0,0|2,0,1]=4 1213 B15R2.17 CCc1cccc(n1)c2ccccc2 271570a_100011218836_100009856026 [0,0,0,1,0,0|2,0,1]=4 1214 B15R2.17 CCc1cncc(c1)c2ccccc2 271570a_100011218836_200009819073 [0,0,0,1,0,0|3,0,0]=4 1215 B15R2.32 Cn1c(cccc1=O)c2ccccc2 271570a_100011218836_100000726605 [0,0,0,1,0,0|2,0,1]=4 1216 B15R2.283 O=C1CCC(C1)OCc2ccccc2 34a_100012614533_100015291786 [0,0,0,1,0,0|2,0,1]=4 1217 B15R2.283 O=C1CC[C@H](N1)COc2ccccc2 7a_100000210340_100015189358 [0,0,0,1,0,0|2,0,1]=4 1218 B15R2.283 O=C1CC[C@H](N1)CSc2ccccc2 62a_100000719477_100015189358 [0,0,0,1,0,0|2,0,1]=4 1219 B15R2.283 O=C1CC[C@H](N1)CSc2ccccc2 62a_100015189358_100000041952 [0,0,0,1,0,0|2,0,1]=4 1220 B15R2.283 O=C1NCC(O1)CNc2ccccc2 34a_100000106764_100000181169 [0,0,0,1,0,0|2,0,1]=4 1221 B15R2.283 O=C1NCC(O1)COc2ccccc2 34a_100000210340_100000181169 [0,0,0,1,0,0|2,0,1]=4 1222 B15R2.283 O=C1NCC(O1)COc2ccccc2 7a_100000210340_100000181169 [0,0,0,1,0,0|2,0,1]=4 1223 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000181169_100000041952 [0,0,0,1,0,0|2,0,1]=4 1224 B15R2.283 O=C1NCC(O1)CSc2ccccc2 62a_100000719477_100000181169 [0,0,0,1,0,0|2,0,1]=4 1225 B15R2.283 O=C1OCC(O1)CNc2ccccc2 34a_100000106764_100000073702 [0,0,0,1,0,0|2,0,1]=4 1226 B15R2.283 O=C1OCC(O1)COc2ccccc2 34a_100000210340_100000073702 [0,0,0,1,0,0|2,0,1]=4 1227 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000073702_100000041952 [0,0,0,1,0,0|2,0,1]=4 1228 B15R2.283 O=C1OCC(O1)CSc2ccccc2 62a_100000719477_100000073702 [0,0,0,1,0,0|2,0,1]=4 1229 B15R2.283 O=C1OCC(O1)NCc2ccccc2 34a_100015324214_100000032252 [0,0,0,1,0,0|2,0,1]=4 1230 B15R2.283 O=C1OCC(O1)OCc2ccccc2 34a_100000210790_100000032252 [0,0,0,1,0,0|2,0,1]=4 1231 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,1,0,0|2,0,1]=4 1232 B15R2.342 CC1CCN1C/C=C/c2ccccc2 269982a_100000755817_100016265936 [0,0,0,1,0,0|2,0,1]=4 1233 B15R2.342 CC1CCN1C/C=C/c2ccccc2 34a_100000755817_100016265936 [0,0,0,1,0,0|2,0,1]=4 1234 B15R2.342 O=C1CCC1CCOc2ccccc2 7a_100000210340_200016118888 [0,0,0,1,0,0|2,0,1]=4 1235 B15R2.342 O=C1CCC1CCSc2ccccc2 62a_100000719477_200016118888 [0,0,0,1,0,0|2,0,1]=4 1236 B15R2.342 O=C1CCC1CCSc2ccccc2 62a_200016118888_100000041952 [0,0,0,1,0,0|2,0,1]=4 1237 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 11a_100016998360_100000210414 [0,0,0,1,0,0|1,0,2]=4 1238 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 1626a_100016998360_100000210414 [0,0,0,1,0,0|1,0,2]=4 1239 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 240690a_100016998360_100000210414 [0,0,0,1,0,0|1,0,2]=4 1240 B15R2.1561 CCC(=O)N1C[C@@H]1Cc2ccccc2 527a_100016998360_100000210414 [0,0,0,1,0,0|1,0,2]=4 1241 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 11a_100000739605_100000210414 [0,0,0,1,0,0|1,0,2]=4 1242 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 1626a_100000739605_100000210414 [0,0,0,1,0,0|1,0,2]=4 1243 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 240690a_100000739605_100000210414 [0,0,0,1,0,0|1,0,2]=4 1244 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 527a_100000739605_100000210414 [0,0,0,1,0,0|1,0,2]=4 1245 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000210414 [0,0,0,1,0,0|1,0,2]=4 1246 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000210414 [0,0,0,1,0,0|1,0,2]=4 1247 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000210414 [0,0,0,1,0,0|1,0,2]=4 1248 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000210414 [0,0,0,1,0,0|1,0,2]=4 1249 B15R2.7945 CC1(CC1)NC/C=C/c2ccccc2 2230a_100000757604_100016265936 [0,0,0,1,0,0|2,0,1]=4 1250 B15R2.7945 CC1(CC1)OC/C=C/c2ccccc2 7a_100011725673_100016265936 [0,0,0,1,0,0|1,0,1]=3 1251 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 2230a_100000749019_100016265936 [0,0,0,1,0,0|2,0,1]=4 1252 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 270004a_100020603302_100000241760 [0,0,0,1,0,0|2,0,1]=4 1253 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100000749019_100016265936 [0,0,0,1,0,0|2,0,1]=4 1254 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100020603302_100000749161 [0,0,0,1,0,0|2,0,1]=4 1255 B15R2.27836 C(=C/c1ccccc1)\COC2CCC2 34a_100000210256_100000749161 [0,0,0,1,0,0|1,0,1]=3 1256 B15R2.27836 C(=C/c1ccccc1)\COC2CCC2 34a_100000748187_100016265936 [0,0,0,1,0,0|1,0,1]=3 1257 B15R2.27836 C(=C/c1ccccc1)\COC2COC2 34a_100000210256_100009818527 [0,0,0,1,0,0|2,0,1]=4 1258 B15R2.27836 C(=C/c1ccccc1)\COC2CSC2 7a_100000072292_100016265936 [0,0,0,1,0,0|2,0,1]=4 1259 B15R2.27836 C(=C/c1ccccc1)\CSC2CCC2 62a_100016265936_100000749161 [0,0,0,1,0,0|1,1,1]=4 1260 B15R2.27836 C(=C/c1cccnc1)\COC2CCC2 34a_200102594124_100000749161 [0,0,0,1,0,0|2,0,1]=4 1261 B15R2.79185 CCC(=O)NN=C1Cc2c1cccc2 4a_100000183195_100000051409 [0,0,0,1,0,0|2,0,1]=4 1262 B15R2.79765 CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000210202 [0,0,0,1,0,0|1,0,2]=4 1263 B15R2.79765 CCC(=O)c1cccc2c1cccc2 1458a_100000210949_100000210202 [0,0,0,1,0,0|1,0,1]=3 1264 B15R2.79765 CCC(=O)c1cccc2c1cccn2 1458a_100000241005_100000210202 [0,0,0,1,0,0|2,0,1]=4 1265 B15R2.79765 CCC(=O)c1cccc2c1ccnc2 1458a_100011290933_100000210202 [0,0,0,1,0,0|2,0,1]=4 1266 B15R2.79765 CCC(=O)c1cccc2c1cncc2 1458a_100011356482_100000210202 [0,0,0,1,0,0|2,0,1]=4 1267 B15R2.79765 CCC(=O)c1cccc2c1nccc2 1458a_100000195423_100000210202 [0,0,0,1,0,0|2,0,1]=4 1268 B15R2.79765 CNC(=O)c1cccc2c1cccc2 11a_106832991635_100000210949 [0,0,0,1,0,0|2,0,1]=4 1269 B15R2.79765 CNC(=O)c1cccc2c1cccc2 1626a_100102657272_100000210949 [0,0,0,1,0,0|2,0,1]=4 1270 B15R2.79765 CNC(=O)c1cccc2c1cccc2 240690a_100102657272_100000210949 [0,0,0,1,0,0|2,0,1]=4 1271 B15R2.79765 CNC(=O)c1cccc2c1cccc2 527a_100102657272_100000210949 [0,0,0,1,0,0|2,0,1]=4 1272 B15R2.79765 O=C(CF)c1cccc2c1cccc2 1458a_100000210949_100015361967 [0,0,0,1,0,0|2,0,1]=4 1273 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,0,0,0,1,0|0,0,2]=3 1274 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,0,0,0,1,0|0,0,2]=3 1275 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,0,0,0,1,0|0,0,0]=1 1276 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,0,0,0,1,0|0,0,0]=1 1277 B13R1.718 CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210202 [0,0,0,0,1,0|1,0,1]=3 1278 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [0,0,0,0,1,0|0,0,2]=3 1279 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,0,0,0,1,0|0,0,2]=3 1280 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,0,0,0,1,0|0,0,2]=3 1281 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,0,0,0,1,0|1,0,2]=4 1282 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,0,0,0,1,0|1,0,2]=4 1283 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,0,0,0,1,0|1,0,1]=3 1284 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,0,0,0,1,0|1,0,1]=3 1285 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,0,0,0,1,0|1,0,1]=3 1286 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,0,0,0,1,0|1,0,1]=3 1287 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,0,0,0,1,0|1,0,1]=3 1288 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,0,0,0,1,0|1,0,1]=3 1289 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,0,0,0,1,0|1,0,1]=3 1290 B13R1.718 CCC(=O)COCc1ccccn1 34a_100000725409_100000721315 [0,0,0,0,1,0|2,0,1]=4 1291 B13R1.718 CCC(=O)COCc1cccnc1 34a_100000725409_100000733263 [0,0,0,0,1,0|2,0,1]=4 1292 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,0,0,0,1,0|1,0,1]=3 1293 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,0,0,0,1,0|1,0,1]=3 1294 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,0,0,0,1,0|1,0,1]=3 1295 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,0,0,0,1,0|1,0,1]=3 1296 B13R1.718 CCC(=O)CSCc1ccccn1 1458a_100000742634_100000210202 [0,0,0,0,1,0|2,0,1]=4 1297 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000721315_100000747405 [0,0,0,0,1,0|2,0,1]=4 1298 B13R1.718 CCC(=O)CSCc1ccccn1 62a_100000747405_100000721315 [0,0,0,0,1,0|2,0,1]=4 1299 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000741622_100000747405 [0,0,0,0,1,0|2,0,1]=4 1300 B13R1.718 CCC(=O)CSCc1cccnc1 62a_100000747405_100000741622 [0,0,0,0,1,0|2,0,1]=4 1301 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100000747405_100015193705 [0,0,0,0,1,0|2,0,1]=4 1302 B13R1.718 CCC(=O)CSCc1ccncc1 62a_100015193705_100000747405 [0,0,0,0,1,0|2,0,1]=4 1303 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,0,0,0,1,0|1,0,1]=3 1304 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,0,0,0,1,0|1,0,1]=3 1305 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,0,0,0,1,0|1,0,1]=3 1306 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,0,0,0,1,0|1,0,1]=3 1307 B13R1.718 CCC(=O)NCCc1ccccn1 11a_100000211156_100000210414 [0,0,0,0,1,0|2,0,1]=4 1308 B13R1.718 CCC(=O)NCCc1ccccn1 1626a_100000211156_100000210414 [0,0,0,0,1,0|2,0,1]=4 1309 B13R1.718 CCC(=O)NCCc1ccccn1 240690a_100000211156_100000210414 [0,0,0,0,1,0|2,0,1]=4 1310 B13R1.718 CCC(=O)NCCc1ccccn1 527a_100000211156_100000210414 [0,0,0,0,1,0|2,0,1]=4 1311 B13R1.718 CCC(=O)NCCc1cccnc1 11a_100000736294_100000210414 [0,0,0,0,1,0|2,0,1]=4 1312 B13R1.718 CCC(=O)NCCc1cccnc1 1626a_100000736294_100000210414 [0,0,0,0,1,0|2,0,1]=4 1313 B13R1.718 CCC(=O)NCCc1cccnc1 240690a_100000736294_100000210414 [0,0,0,0,1,0|2,0,1]=4 1314 B13R1.718 CCC(=O)NCCc1cccnc1 527a_100000736294_100000210414 [0,0,0,0,1,0|2,0,1]=4 1315 B13R1.718 CCC(=O)NCCc1ccncc1 11a_100000742849_100000210414 [0,0,0,0,1,0|2,0,1]=4 1316 B13R1.718 CCC(=O)NCCc1ccncc1 1626a_100000742849_100000210414 [0,0,0,0,1,0|2,0,1]=4 1317 B13R1.718 CCC(=O)NCCc1ccncc1 240690a_100000742849_100000210414 [0,0,0,0,1,0|2,0,1]=4 1318 B13R1.718 CCC(=O)NCCc1ccncc1 527a_100000742849_100000210414 [0,0,0,0,1,0|2,0,1]=4 1319 B13R1.718 CCC(=O)NN=Cc1ccccc1 4a_100000183195_100015611070 [0,0,0,0,1,0|2,0,0]=3 1320 B13R1.718 CCC(=O)NN=Cc1ccccn1 4a_100000183195_100000209966 [0,0,0,0,1,0|3,0,0]=4 1321 B13R1.718 CCC(=O)NN=Cc1cccnc1 4a_100000183195_100000209961 [0,0,0,0,1,0|3,0,0]=4 1322 B13R1.718 CCC(=O)NN=Cc1ccncc1 4a_100000183195_100000186114 [0,0,0,0,1,0|3,0,0]=4 1323 B13R1.718 CCC(=O)NNCc1ccccc1 22a_100000007032_100000210414 [0,0,0,0,1,0|2,0,1]=4 1324 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,0,0,0,1,0|1,0,2]=4 1325 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,0,0,0,1,0|1,0,2]=4 1326 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,0,0,0,1,0|1,0,2]=4 1327 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100000225621_100016265936 [0,0,0,0,1,0|2,0,0]=3 1328 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100020603567_200000210301 [0,0,0,0,1,0|2,0,0]=3 1329 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100000225621_100016265936 [0,0,0,0,1,0|2,0,0]=3 1330 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100020603567_200000210301 [0,0,0,0,1,0|2,0,0]=3 1331 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 2230a_100020603567_200025704644 [0,0,0,0,1,0|2,0,0]=3 1332 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 269982a_100020603567_200025704644 [0,0,0,0,1,0|2,0,0]=3 1333 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,0,0,0,1,0|1,0,0]=2 1334 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,0,0,0,1,0|1,0,0]=2 1335 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,0,0,0,1,0|1,0,0]=2 1336 B13R1.718 CNC(=O)C=CSc1ccccc1 11a_106832991635_100016262050 [0,0,0,0,1,0|2,0,1]=4 1337 B13R1.718 CNC(=O)C=CSc1ccccc1 1626a_100102657272_100016262050 [0,0,0,0,1,0|2,0,1]=4 1338 B13R1.718 CNC(=O)C=CSc1ccccc1 240690a_100102657272_100016262050 [0,0,0,0,1,0|2,0,1]=4 1339 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,0,0,1,0|1,0,2]=4 1340 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,0,0,1,0|1,0,2]=4 1341 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,0,0,1,0|1,0,2]=4 1342 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,0,0,1,0|1,0,2]=4 1343 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,0,0,0,1,0|2,0,1]=4 1344 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,0,0,0,1,0|2,0,1]=4 1345 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,0,0,0,1,0|2,0,1]=4 1346 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,0,0,0,1,0|2,0,1]=4 1347 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,0,0,0,1,0|2,0,1]=4 1348 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,0,0,0,1,0|2,0,1]=4 1349 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,0,0,0,1,0|2,0,1]=4 1350 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,0,0,0,1,0|2,0,1]=4 1351 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,0,0,0,1,0|2,0,1]=4 1352 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,0,0,0,1,0|2,0,1]=4 1353 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,0,0,0,1,0|2,0,1]=4 1354 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,0,0,0,1,0|2,0,1]=4 1355 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,0,0,0,1,0|2,0,1]=4 1356 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,0,0,0,1,0|2,0,1]=4 1357 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,0,0,0,1,0|2,0,1]=4 1358 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,0,0,0,1,0|2,0,1]=4 1359 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,0,0,0,1,0|2,0,1]=4 1360 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,0,0,0,1,0|2,0,1]=4 1361 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,0,0,0,1,0|2,0,1]=4 1362 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,0,0,0,1,0|2,0,1]=4 1363 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,0,0,0,1,0|2,0,1]=4 1364 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,0,0,0,1,0|2,0,1]=4 1365 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,0,0,0,1,0|2,0,1]=4 1366 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,0,0,0,1,0|2,0,1]=4 1367 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,0,0,0,1,0|2,0,1]=4 1368 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,0,0,0,1,0|2,0,1]=4 1369 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,0,0,0,1,0|2,0,1]=4 1370 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,0,0,0,1,0|2,0,1]=4 1371 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,0,0,0,1,0|2,0,1]=4 1372 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,0,0,0,1,0|2,0,1]=4 1373 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,0,0,0,1,0|2,0,1]=4 1374 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,0,0,0,1,0|2,0,1]=4 1375 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,0,0,0,1,0|2,0,1]=4 1376 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,0,0,0,1,0|2,0,1]=4 1377 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,0,0,0,1,0|2,0,1]=4 1378 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,0,0,0,1,0|2,0,1]=4 1379 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,0,0,0,1,0|2,0,1]=4 1380 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,0,0,0,1,0|2,0,1]=4 1381 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,0,0,0,1,0|2,0,1]=4 1382 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,0,0,0,1,0|2,0,1]=4 1383 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,0,0,0,1,0|2,0,1]=4 1384 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,0,0,0,1,0|2,0,1]=4 1385 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,0,0,0,1,0|2,0,1]=4 1386 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,0,0,0,1,0|2,0,1]=4 1387 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,0,0,0,1,0|2,0,1]=4 1388 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,0,0,0,1,0|2,0,1]=4 1389 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,0,0,0,1,0|2,0,0]=3 1390 B13R1.718 COC(=O)OCSc1ccccn1 62a_100011216584_100000139417 [0,0,0,0,1,0|3,0,0]=4 1391 B13R1.718 COC(=O)OCSc1cccnc1 62a_100000210063_100000139417 [0,0,0,0,1,0|3,0,0]=4 1392 B13R1.718 COC(=O)OCSc1ccncc1 62a_100000728582_100000139417 [0,0,0,0,1,0|3,0,0]=4 1393 B13R1.718 O=C(C=CSc1ccccc1)CF 1458a_100016262050_100015361967 [0,0,0,0,1,0|2,0,1]=4 1394 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,0,0,0,1,0|1,0,0]=2 1395 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,0,0,0,1,0|1,0,2]=4 1396 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,0,0,0,1,0|2,0,1]=4 1397 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,0,0,0,1,0|2,0,1]=4 1398 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,0,0,0,1,0|2,0,1]=4 1399 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,0,0,0,1,0|2,0,1]=4 1400 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,0,0,0,1,0|1,0,0]=2 1401 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,0,0,0,1,0|1,0,2]=4 1402 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,0,0,0,1,0|1,0,2]=4 1403 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,0,0,0,1,0|2,0,1]=4 1404 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,0,0,0,1,0|2,0,1]=4 1405 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,0,0,0,1,0|2,0,1]=4 1406 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,0,0,0,1,0|2,0,1]=4 1407 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,0,0,0,1,0|2,0,1]=4 1408 B15R1.962 C=C(C#N)COC/C=C/c1ccccc1 34a_100000210256_100000694840 [0,0,0,0,0,1|2,0,1]=4 1409 B15R1.962 CC(CN)COC/C=C/c1ccccc1 34a_100000744482_100016265936 [0,0,0,0,0,1|2,0,1]=4 1410 B15R1.962 CCC(=O)CCCCCc1ccccc1 1458a_100000210414_200011217138 [0,0,0,0,0,1|1,0,2]=4 1411 B15R1.962 CCC(=O)CCCCCc1ccccc1 1458a_100011216832_100000210202 [0,0,0,0,0,1|1,0,2]=4 1412 B15R1.962 CCC(=O)CCCCOc1ccccc1 1458a_100000210414_100011215240 [0,0,0,0,0,1|1,0,2]=4 1413 B15R1.962 CCC(=O)CCCCOc1ccccc1 1458a_200011216290_100000210202 [0,0,0,0,0,1|1,0,2]=4 1414 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000210414_100011215529 [0,0,0,0,0,1|1,0,2]=4 1415 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000748059_100000210202 [0,0,0,0,0,1|1,0,2]=4 1416 B15R1.962 CCC(=O)COC/C=C/c1ccccc1 34a_100000725409_100016265936 [0,0,0,0,0,1|0,0,0]=1 1417 B15R1.962 CCC(=O)COCC#Cc1ccccc1 34a_100000725409_100011352542 [0,0,0,0,0,1|0,0,2]=3 1418 B15R1.962 CCC(=O)COCC#Cc1ccccc1 7a_100011217464_100000747405 [0,0,0,0,0,1|0,0,2]=3 1419 B15R1.962 CCC(=O)COCCCc1ccccc1 34a_100000725409_100000211621 [0,0,0,0,0,1|0,0,2]=3 1420 B15R1.962 CCC(=O)COCCCc1ccccc1 7a_100000210828_100000747405 [0,0,0,0,0,1|0,0,2]=3 1421 B15R1.962 CCC(=O)COCCOc1ccccc1 34a_100000725409_100000184471 [0,0,0,0,0,1|1,0,1]=3 1422 B15R1.962 CCC(=O)COCCOc1ccccc1 7a_100000210260_100000747405 [0,0,0,0,0,1|1,0,1]=3 1423 B15R1.962 CCC(=O)COCCSc1ccccc1 34a_100000725409_100000246102 [0,0,0,0,0,1|1,0,1]=3 1424 B15R1.962 CCC(=O)COCCSc1ccccc1 7a_100000230494_100000747405 [0,0,0,0,0,1|1,0,1]=3 1425 B15R1.962 CCC(=O)COCCSc1ccccn1 7a_100000156319_100000747405 [0,0,0,0,0,1|2,0,1]=4 1426 B15R1.962 CCC(=O)COCOCc1ccccc1 34a_100000725409_100000763385 [0,0,0,0,0,1|1,0,1]=3 1427 B15R1.962 CCC(=O)COCSCc1ccccc1 34a_100000725409_200011217039 [0,0,0,0,0,1|1,0,1]=3 1428 B15R1.962 CCC(=O)CSC/C=C/c1ccccc1 62a_100000747405_100016265936 [0,0,0,0,0,1|0,1,0]=2 1429 B15R1.962 CCC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747405 [0,0,0,0,0,1|0,1,0]=2 1430 B15R1.962 CCC(=O)CSCC#Cc1ccccc1 62a_100000747405_100011352542 [0,0,0,0,0,1|0,1,2]=4 1431 B15R1.962 CCC(=O)CSCCCc1ccccc1 62a_100000211621_100000747405 [0,0,0,0,0,1|0,1,2]=4 1432 B15R1.962 CCC(=O)CSCCCc1ccccc1 62a_100000747405_100000211621 [0,0,0,0,0,1|0,1,2]=4 1433 B15R1.962 CCC(=O)CSCCOc1ccccc1 1458a_200000150159_100000210202 [0,0,0,0,0,1|1,1,1]=4 1434 B15R1.962 CCC(=O)CSCCOc1ccccc1 62a_100000184471_100000747405 [0,0,0,0,0,1|1,1,1]=4 1435 B15R1.962 CCC(=O)CSCCOc1ccccc1 62a_100000747405_100000184471 [0,0,0,0,0,1|1,1,1]=4 1436 B15R1.962 CCC(=O)CSCCSc1ccccc1 62a_100000246102_100000747405 [0,0,0,0,0,1|1,1,1]=4 1437 B15R1.962 CCC(=O)CSCCSc1ccccc1 62a_100000747405_100000246102 [0,0,0,0,0,1|1,1,1]=4 1438 B15R1.962 CCC(=O)CSCOCc1ccccc1 62a_100000747405_100000763385 [0,0,0,0,0,1|1,1,1]=4 1439 B15R1.962 CCC(=O)CSCOCc1ccccc1 62a_100000763385_100000747405 [0,0,0,0,0,1|1,1,1]=4 1440 B15R1.962 CCC(=O)CSCSCc1ccccc1 62a_100000747405_200011217039 [0,0,0,0,0,1|1,1,1]=4 1441 B15R1.962 CCC(=O)CSCSCc1ccccc1 62a_200011217039_100000747405 [0,0,0,0,0,1|1,1,1]=4 1442 B15R1.962 CCC(=O)NCCCCc1ccccc1 11a_100015280158_100000210414 [0,0,0,0,0,1|1,0,2]=4 1443 B15R1.962 CCC(=O)NCCCCc1ccccc1 1626a_100015280158_100000210414 [0,0,0,0,0,1|1,0,2]=4 1444 B15R1.962 CCC(=O)NCCCCc1ccccc1 240690a_100015280158_100000210414 [0,0,0,0,0,1|1,0,2]=4 1445 B15R1.962 CCC(=O)NCCCCc1ccccc1 527a_100015280158_100000210414 [0,0,0,0,0,1|1,0,2]=4 1446 B15R1.962 CCC(=O)NCCCOc1ccccc1 11a_100000216521_100000210414 [0,0,0,0,0,1|1,0,2]=4 1447 B15R1.962 CCC(=O)NCCCOc1ccccc1 1626a_100000216521_100000210414 [0,0,0,0,0,1|1,0,2]=4 1448 B15R1.962 CCC(=O)NCCCOc1ccccc1 240690a_100000216521_100000210414 [0,0,0,0,0,1|1,0,2]=4 1449 B15R1.962 CCC(=O)NCCCOc1ccccc1 527a_100000216521_100000210414 [0,0,0,0,0,1|1,0,2]=4 1450 B15R1.962 CCC(=O)NCCCSc1ccccc1 11a_100000184639_100000210414 [0,0,0,0,0,1|1,0,2]=4 1451 B15R1.962 CCC(=O)NCCCSc1ccccc1 240690a_100000184639_100000210414 [0,0,0,0,0,1|1,0,2]=4 1452 B15R1.962 CCC(=O)NCCCSc1ccccc1 527a_100000184639_100000210414 [0,0,0,0,0,1|1,0,2]=4 1453 B15R1.962 CCC(=O)NCCNCc1ccccc1 207a_100132302217_100015611070 [0,0,0,0,0,1|1,0,2]=4 1454 B15R1.962 CCC(=O)NCCNCc1ccccc1 270004a_100132302217_100015611070 [0,0,0,0,0,1|1,0,2]=4 1455 B15R1.962 CCC(=O)NCCNCc1ccccc1 34a_100132302217_100015291786 [0,0,0,0,0,1|1,0,2]=4 1456 B15R1.962 CCC(=O)NCCOCc1ccccc1 11a_100000753106_100000210414 [0,0,0,0,0,1|1,0,2]=4 1457 B15R1.962 CCC(=O)NCCOCc1ccccc1 1626a_100000753106_100000210414 [0,0,0,0,0,1|1,0,2]=4 1458 B15R1.962 CCC(=O)NCCOCc1ccccc1 240690a_100000753106_100000210414 [0,0,0,0,0,1|1,0,2]=4 1459 B15R1.962 CCC(=O)NCCOCc1ccccc1 34a_200000158885_100015291786 [0,0,0,0,0,1|1,0,2]=4 1460 B15R1.962 CCC(=O)NCCOCc1ccccc1 527a_100000753106_100000210414 [0,0,0,0,0,1|1,0,2]=4 1461 B15R1.962 CCC(=O)NCCOCc1ccccc1 7a_200000158885_100000211182 [0,0,0,0,0,1|1,0,2]=4 1462 B15R1.962 CCC(=O)NCCSCc1ccccc1 11a_100000189534_100000210414 [0,0,0,0,0,1|1,0,2]=4 1463 B15R1.962 CCC(=O)NCCSCc1ccccc1 240690a_100000189534_100000210414 [0,0,0,0,0,1|1,0,2]=4 1464 B15R1.962 CCC(=O)NCCSCc1ccccc1 527a_100000189534_100000210414 [0,0,0,0,0,1|1,0,2]=4 1465 B15R1.962 CCC(=O)NN=CC#Cc1ccccc1 4a_100000183195_100000033505 [0,0,0,0,0,1|2,0,1]=4 1466 B15R1.962 CCC(=O)NN=CC=Cc1ccccc1 4a_100000183195_100000210105 [0,0,0,0,0,1|1,0,1]=3 1467 B15R1.962 CCC(=O)NN=CC=Cc1ccncc1 4a_100000183195_100000703957 [0,0,0,0,0,1|2,0,1]=4 1468 B15R1.962 CCC(=O)NN=CCCc1ccccc1 4a_100000183195_100000198083 [0,0,0,0,0,1|2,0,1]=4 1469 B15R1.962 CCC(=O)NN=CCOc1ccccc1 4a_100000183195_100000758736 [0,0,0,0,0,1|2,0,1]=4 1470 B15R1.962 CCC(=O)OCCOCc1ccccc1 7a_200000031056_100000211182 [0,0,0,0,0,1|0,0,2]=3 1471 B15R1.962 CCC(=O)OCCOCc1ccccn1 7a_200000031056_100000721315 [0,0,0,0,0,1|1,0,2]=4 1472 B15R1.962 CCC(=O)OCCOCc1cccnc1 7a_200000031056_100000741622 [0,0,0,0,0,1|1,0,2]=4 1473 B15R1.962 CCC(=O)OCCOCc1ccncc1 7a_200000031056_100015193705 [0,0,0,0,0,1|1,0,2]=4 1474 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020588543_100016265936 [0,0,0,0,0,1|2,0,1]=4 1475 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000748023 [0,0,0,0,0,1|2,0,1]=4 1476 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000243153 [0,0,0,0,0,1|2,0,1]=4 1477 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000748023 [0,0,0,0,0,1|2,0,1]=4 1478 B15R1.962 CCC(C)CNCC=Cc1ccccc1 270004a_100020588543_100000210105 [0,0,0,0,0,1|2,0,1]=4 1479 B15R1.962 CCC(C)COC/C=C/c1ccccc1 34a_100000210256_100000748023 [0,0,0,0,0,1|1,0,1]=3 1480 B15R1.962 CCC(C)COC/C=C/c1cccnc1 34a_200102594124_100000748023 [0,0,0,0,0,1|2,0,1]=4 1481 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100000748023_100016265936 [0,0,0,0,0,1|1,1,1]=4 1482 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000748023 [0,0,0,0,0,1|1,1,1]=4 1483 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 2230a_100011218483_100016265936 [0,0,0,0,0,1|1,0,2]=4 1484 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218378 [0,0,0,0,0,1|1,0,2]=4 1485 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218378 [0,0,0,0,0,1|1,0,2]=4 1486 B15R1.962 CCC(O)CNCC=Cc1ccccc1 270004a_100011218483_100000210105 [0,0,0,0,0,1|1,0,2]=4 1487 B15R1.962 CCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218378 [0,0,0,0,0,1|0,0,2]=3 1488 B15R1.962 CCC(O)COC/C=C/c1cccnc1 34a_200102594124_100011218378 [0,0,0,0,0,1|1,0,2]=4 1489 B15R1.962 CCC(O)CSC/C=C/c1ccccc1 62a_100011218378_100016265936 [0,0,0,0,0,1|0,1,2]=4 1490 B15R1.962 CCC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218378 [0,0,0,0,0,1|0,1,2]=4 1491 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 2230a_100020603302_100009816398 [0,0,0,0,0,1|2,0,1]=4 1492 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 34a_100020603302_100009816398 [0,0,0,0,0,1|2,0,1]=4 1493 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 34a_100000210256_100009816398 [0,0,0,0,0,1|1,0,1]=3 1494 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 7a_100009816381_100016265936 [0,0,0,0,0,1|1,0,1]=3 1495 B15R1.962 CC[C@H](C)COC/C=C/c1cccnc1 34a_200102594124_100009816398 [0,0,0,0,0,1|2,0,1]=4 1496 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100009816398_100016265936 [0,0,0,0,0,1|1,1,1]=4 1497 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100016265936_100009816398 [0,0,0,0,0,1|1,1,1]=4 1498 B15R1.962 CNC(=O)CNC/C=C/c1ccccc1 2230a_100000693194_100016265936 [0,0,0,0,0,1|2,0,0]=3 1499 B15R1.962 CNC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000183359 [0,0,0,0,0,1|2,0,0]=3 1500 B15R1.962 CNC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000183359 [0,0,0,0,0,1|2,0,0]=3 1501 B15R1.962 CNC(=O)CNCC=Cc1ccccc1 270004a_100000693194_100000210105 [0,0,0,0,0,1|2,0,0]=3 1502 B15R1.962 CNC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000183359 [0,0,0,0,0,1|1,0,0]=2 1503 B15R1.962 CNC(=O)COC/C=C/c1ccccc1 34a_100000750040_100016265936 [0,0,0,0,0,1|1,0,0]=2 1504 B15R1.962 CNC(=O)COC/C=C/c1cccnc1 34a_200102594124_100000183359 [0,0,0,0,0,1|2,0,0]=3 1505 B15R1.962 CNC(=O)COCC#Cc1ccccc1 34a_100000750040_100011352542 [0,0,0,0,0,1|1,0,2]=4 1506 B15R1.962 CNC(=O)COCC#Cc1ccccc1 34a_100011217464_100000183359 [0,0,0,0,0,1|1,0,2]=4 1507 B15R1.962 CNC(=O)COCC#Cc1ccccc1 7a_100011217464_100000183359 [0,0,0,0,0,1|1,0,2]=4 1508 B15R1.962 CNC(=O)COCCCc1ccccc1 34a_100000210828_100000183359 [0,0,0,0,0,1|1,0,2]=4 1509 B15R1.962 CNC(=O)COCCCc1ccccc1 34a_100000750040_100000211621 [0,0,0,0,0,1|1,0,2]=4 1510 B15R1.962 CNC(=O)COCCCc1ccccc1 7a_100000210828_100000183359 [0,0,0,0,0,1|1,0,2]=4 1511 B15R1.962 CNC(=O)COCCNc1ccccc1 34a_100000211345_100000183359 [0,0,0,0,0,1|2,0,1]=4 1512 B15R1.962 CNC(=O)COCCOc1ccccc1 34a_100000210260_100000183359 [0,0,0,0,0,1|2,0,1]=4 1513 B15R1.962 CNC(=O)COCCOc1ccccc1 34a_100000750040_100000184471 [0,0,0,0,0,1|2,0,1]=4 1514 B15R1.962 CNC(=O)COCCOc1ccccc1 7a_100000210260_100000183359 [0,0,0,0,0,1|2,0,1]=4 1515 B15R1.962 CNC(=O)COCCSc1ccccc1 34a_100000750040_100000246102 [0,0,0,0,0,1|2,0,1]=4 1516 B15R1.962 CNC(=O)COCCSc1ccccc1 7a_100000230494_100000183359 [0,0,0,0,0,1|2,0,1]=4 1517 B15R1.962 CNC(=O)COCOCc1ccccc1 34a_100000750040_100000763385 [0,0,0,0,0,1|2,0,1]=4 1518 B15R1.962 CNC(=O)COCSCc1ccccc1 34a_100000750040_200011217039 [0,0,0,0,0,1|2,0,1]=4 1519 B15R1.962 CNC(=O)CSC/C=C/c1ccccc1 62a_100000183359_100016265936 [0,0,0,0,0,1|1,1,0]=3 1520 B15R1.962 CNC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000183359 [0,0,0,0,0,1|1,1,0]=3 1521 B15R1.962 CNC(=O)OCCNCc1ccccc1 34a_100015324214_200011997002 [0,0,0,0,0,1|1,0,2]=4 1522 B15R1.962 CNC(=O)OCCOCc1ccccc1 34a_100000210790_200011997002 [0,0,0,0,0,1|1,0,2]=4 1523 B15R1.962 CNC(=O)OCCOCc1ccccc1 7a_100000210790_200011997002 [0,0,0,0,0,1|1,0,2]=4 1524 B15R1.962 CNC(=O)OCCSCc1ccccc1 62a_100000211182_200011997002 [0,0,0,0,0,1|1,0,2]=4 1525 B15R1.962 CNC(=O)OCCSCc1ccccc1 62a_200011997002_100015291786 [0,0,0,0,0,1|1,0,2]=4 1526 B15R1.962 COC(=O)CCC=NNc1ccccc1 4a_100015195140_100012047195 [0,0,0,0,0,1|3,0,0]=4 1527 B15R1.962 COC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747449 [0,0,0,0,0,1|2,0,0]=3 1528 B15R1.962 COC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000747449 [0,0,0,0,0,1|2,0,0]=3 1529 B15R1.962 COC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000747449 [0,0,0,0,0,1|1,0,0]=2 1530 B15R1.962 COC(=O)COC/C=C/c1cccnc1 34a_200102594124_100000747449 [0,0,0,0,0,1|2,0,0]=3 1531 B15R1.962 COC(=O)COCC#Cc1ccccc1 34a_100011217464_100000747449 [0,0,0,0,0,1|1,0,2]=4 1532 B15R1.962 COC(=O)COCC#Cc1ccccc1 7a_100011217464_100000747449 [0,0,0,0,0,1|1,0,2]=4 1533 B15R1.962 COC(=O)COCCCc1ccccc1 34a_100000210828_100000747449 [0,0,0,0,0,1|1,0,2]=4 1534 B15R1.962 COC(=O)COCCCc1ccccc1 7a_100000210828_100000747449 [0,0,0,0,0,1|1,0,2]=4 1535 B15R1.962 COC(=O)COCCNc1ccccc1 34a_100000106764_100000090808 [0,0,0,0,0,1|2,0,1]=4 1536 B15R1.962 COC(=O)COCCNc1ccccc1 34a_100000211345_100000747449 [0,0,0,0,0,1|2,0,1]=4 1537 B15R1.962 COC(=O)COCCOc1ccccc1 34a_100000210260_100000747449 [0,0,0,0,0,1|2,0,1]=4 1538 B15R1.962 COC(=O)COCCOc1ccccc1 34a_100000210340_100000090808 [0,0,0,0,0,1|2,0,1]=4 1539 B15R1.962 COC(=O)COCCOc1ccccc1 7a_100000210260_100000747449 [0,0,0,0,0,1|2,0,1]=4 1540 B15R1.962 COC(=O)COCCOc1ccccc1 7a_100000210340_100000090808 [0,0,0,0,0,1|2,0,1]=4 1541 B15R1.962 COC(=O)COCCSc1ccccc1 62a_100000090808_100000041952 [0,0,0,0,0,1|2,0,1]=4 1542 B15R1.962 COC(=O)COCCSc1ccccc1 62a_100000719477_100000090808 [0,0,0,0,0,1|2,0,1]=4 1543 B15R1.962 COC(=O)COCCSc1ccccc1 7a_100000230494_100000747449 [0,0,0,0,0,1|2,0,1]=4 1544 B15R1.962 COC(=O)CSC/C=C/c1ccccc1 62a_100000747449_100016265936 [0,0,0,0,0,1|1,1,0]=3 1545 B15R1.962 COC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747449 [0,0,0,0,0,1|1,1,0]=3 1546 B15R1.962 COC(=O)OCCOCc1ccccc1 34a_100010262106_100015291786 [0,0,0,0,0,1|1,0,2]=4 1547 B15R1.962 COC(=O)OCSCCc1ccccc1 62a_100000765856_100000139417 [0,0,0,0,0,1|1,0,2]=4 1548 B15R1.962 COC(=O)OCSCSc1ccccc1 62a_100011218342_100000139417 [0,0,0,0,0,1|2,0,1]=4 1549 B15R1.962 COC(C)COC/C=C/c1ccccc1 34a_100000690652_100016265936 [0,0,0,0,0,1|2,0,1]=4 1550 B15R1.962 C[C@@H](CO)COC/C=C/c1ccccc1 34a_100000210256_100000059175 [0,0,0,0,0,1|2,0,1]=4 1551 B15R1.962 ClCC(Cl)COC/C=C/c1ccccc1 34a_100000033668_100016265936 [0,0,0,0,0,1|2,0,1]=4 1552 B15R1.962 NC[C@@H](F)COC/C=C/c1ccccc1 34a_100015665980_100016265936 [0,0,0,0,0,1|2,0,1]=4 1553 B15R1.962 OCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011219619 [0,0,0,0,0,1|1,0,2]=4 1554 B15R1.962 OC[C@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009815848 [0,0,0,0,0,1|1,0,2]=4 1555 B15R1.962 O[C@@H](CF)COC/C=C/c1ccccc1 34a_100000210256_100015614560 [0,0,0,0,0,1|1,0,2]=4 1556 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [2,0,0,0,0,0|2,0,0]=4 1557 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [2,0,0,0,0,0|2,0,0]=4 1558 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [2,0,0,0,0,0|2,0,0]=4 1559 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [2,0,0,0,0,0|2,0,0]=4 1560 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [2,0,0,0,0,0|2,0,0]=4 1561 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [2,0,0,0,0,0|0,0,1]=3 1562 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [2,0,0,0,0,0|1,0,1]=4 1563 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [2,0,0,0,0,0|1,0,1]=4 1564 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [2,0,0,0,0,0|1,0,1]=4 1565 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [2,0,0,0,0,0|0,0,2]=4 1566 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [2,0,0,0,0,0|0,0,2]=4 1567 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [2,0,0,0,0,0|0,0,2]=4 1568 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [2,0,0,0,0,0|1,0,0]=3 1569 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [2,0,0,0,0,0|1,0,0]=3 1570 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [2,0,0,0,0,0|1,0,0]=3 1571 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [2,0,0,0,0,0|1,0,0]=3 1572 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [2,0,0,0,0,0|0,0,0]=2 1573 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [2,0,0,0,0,0|0,0,0]=2 1574 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [2,0,0,0,0,0|1,0,0]=3 1575 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [2,0,0,0,0,0|0,0,2]=4 1576 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [2,0,0,0,0,0|0,0,2]=4 1577 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [2,0,0,0,0,0|0,0,2]=4 1578 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [2,0,0,0,0,0|0,0,2]=4 1579 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [2,0,0,0,0,0|0,0,2]=4 1580 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [2,0,0,0,0,0|0,0,2]=4 1581 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [2,0,0,0,0,0|1,0,1]=4 1582 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [2,0,0,0,0,0|1,0,1]=4 1583 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [2,0,0,0,0,0|1,0,1]=4 1584 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [2,0,0,0,0,0|1,0,1]=4 1585 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [2,0,0,0,0,0|1,0,1]=4 1586 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [2,0,0,0,0,0|1,0,1]=4 1587 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [2,0,0,0,0,0|1,0,1]=4 1588 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [2,0,0,0,0,0|1,0,1]=4 1589 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [2,0,0,0,0,0|1,0,1]=4 1590 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [2,0,0,0,0,0|1,0,1]=4 1591 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [2,0,0,0,0,0|1,0,1]=4 1592 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [2,0,0,0,0,0|1,0,1]=4 1593 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [2,0,0,0,0,0|1,0,1]=4 1594 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [2,0,0,0,0,0|1,0,1]=4 1595 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [2,0,0,0,0,0|1,0,1]=4 1596 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [2,0,0,0,0,0|0,1,0]=3 1597 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [2,0,0,0,0,0|0,1,0]=3 1598 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [2,0,0,0,0,0|2,0,0]=4 1599 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [2,0,0,0,0,0|1,0,0]=3 1600 B12R1.8 FCOC/C=C/c1cccnc1 34a_200102594124_100015361967 [2,0,0,0,0,0|2,0,0]=4 1601 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [2,0,0,0,0,0|1,1,0]=4 1602 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [2,0,0,0,0,0|1,1,0]=4 1603 B14R1.14 CCCCCC=Cc1ccc(cc1)Br 271570a_100000062253_100000752885 [1,1,0,0,0,0|1,0,1]=4 1604 B14R1.14 CCCCCC=Cc1ccc(cc1)C 271570a_100000062253_100000186775 [1,1,0,0,0,0|1,0,1]=4 1605 B14R1.14 CCCCCC=Cc1ccc(cc1)Cl 271570a_100000062253_100000755918 [1,1,0,0,0,0|1,0,1]=4 1606 B14R1.14 CCCCCC=Cc1ccc(cc1)F 271570a_100000062253_100000211213 [1,1,0,0,0,0|1,0,1]=4 1607 B14R1.14 CCCCCC=Cc1ccc(cc1)N 271570a_100000062253_100000185761 [1,1,0,0,0,0|1,0,1]=4 1608 B14R1.14 CCCCCC=Cc1ccc(cc1)O 271570a_100000062253_100000185759 [1,1,0,0,0,0|1,0,1]=4 1609 B14R1.14 CCCNCC=Cc1ccc(cc1)Br 270004a_100020643023_100016291818 [1,1,0,0,0,0|1,0,1]=4 1610 B14R1.14 CCCNCC=Cc1ccc(cc1)C 270004a_100020643023_100016257026 [1,1,0,0,0,0|1,0,1]=4 1611 B14R1.14 CCCNCC=Cc1ccc(cc1)Cl 270004a_100020643023_100102525842 [1,1,0,0,0,0|1,0,1]=4 1612 B14R1.14 CCCNCC=Cc1ccc(cc1)F 270004a_100020643023_100016272083 [1,1,0,0,0,0|1,0,1]=4 1613 B14R1.26 CCCCCC=Cc1cccc(c1)Br 271570a_100000062253_100000691529 [1,1,0,0,0,0|1,0,1]=4 1614 B14R1.26 CCCCCC=Cc1cccc(c1)C 271570a_100000062253_100011215228 [1,1,0,0,0,0|1,0,1]=4 1615 B14R1.26 CCCCCC=Cc1cccc(c1)Cl 271570a_100000062253_100000699651 [1,1,0,0,0,0|1,0,1]=4 1616 B14R1.26 CCCCCC=Cc1cccc(c1)F 271570a_100000062253_100000685547 [1,1,0,0,0,0|1,0,1]=4 1617 B14R1.26 CCCCCC=Cc1cccc(c1)N 271570a_100000062253_100000210019 [1,1,0,0,0,0|1,0,1]=4 1618 B14R1.26 CCCCCC=Cc1cccc(c1)O 271570a_100000062253_100000211634 [1,1,0,0,0,0|1,0,1]=4 1619 B14R1.26 CCCCCC=Cc1cccc(c1)[S] 271570a_100000062253_114929384022 [1,1,0,0,0,0|1,0,1]=4 1620 B14R1.26 CCCNCC=Cc1cccc(c1)C 270004a_100020643023_100102525846 [1,1,0,0,0,0|1,0,1]=4 1621 B14R1.26 CCCNCC=Cc1cccc(c1)Cl 270004a_100020643023_100016268971 [1,1,0,0,0,0|1,0,1]=4 1622 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [1,1,0,0,0,0|1,0,1]=4 1623 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [1,1,0,0,0,0|0,0,2]=4 1624 B14R1.123 BrCCCOC/C=C/c1ccccc1 34a_100011217188_100016265936 [1,1,0,0,0,0|0,0,1]=3 1625 B14R1.123 C#CCCOC/C=C/c1ccccc1 34a_100000210256_100000688953 [1,1,0,0,0,0|0,0,2]=4 1626 B14R1.123 C#CCCOC/C=C/c1ccccc1 34a_100011215631_100016265936 [1,1,0,0,0,0|0,0,2]=4 1627 B14R1.123 C/C=C/CNC/C=C/c1ccccc1 34a_100020603302_100102629194 [1,1,0,0,0,0|1,0,1]=4 1628 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100000210256_100102629194 [1,1,0,0,0,0|0,0,1]=3 1629 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100016270725_100016265936 [1,1,0,0,0,0|0,0,1]=3 1630 B14R1.123 C/C=C/COC/C=C/c1cccnc1 34a_200102594124_100102629194 [1,1,0,0,0,0|1,0,1]=4 1631 B14R1.123 C/C=C/CSC/C=C/c1ccccc1 62a_100016265936_100102629194 [1,1,0,0,0,0|0,1,1]=4 1632 B14R1.123 C/C=C/CSC/C=C/c1ccccc1 62a_100102629194_100016265936 [1,1,0,0,0,0|0,1,1]=4 1633 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100000210256_100000754431 [1,1,0,0,0,0|0,0,2]=4 1634 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100011205117_100016265936 [1,1,0,0,0,0|0,0,2]=4 1635 B14R1.123 CC#CCOC/C=C/c1ccccc1 34a_100000210256_100000748600 [1,1,0,0,0,0|0,0,2]=4 1636 B14R1.123 CC#CCOC/C=C/c1ccccc1 34a_100000761923_100016265936 [1,1,0,0,0,0|0,0,2]=4 1637 B14R1.123 CC=CCNC/C=C/c1ccccc1 2230a_100020603302_100000070051 [1,1,0,0,0,0|1,0,1]=4 1638 B14R1.123 CC=CCNC/C=C/c1ccccc1 34a_100020603302_100000070051 [1,1,0,0,0,0|1,0,1]=4 1639 B14R1.123 CC=CCOC/C=C/c1ccccc1 34a_100000210256_100000070051 [1,1,0,0,0,0|0,0,1]=3 1640 B14R1.123 CC=CCOC/C=C/c1cccnc1 34a_200102594124_100000070051 [1,1,0,0,0,0|1,0,1]=4 1641 B14R1.123 CC=CCSC/C=C/c1ccccc1 62a_100000070051_100016265936 [1,1,0,0,0,0|0,1,1]=4 1642 B14R1.123 CC=CCSC/C=C/c1ccccc1 62a_100016265936_100000070051 [1,1,0,0,0,0|0,1,1]=4 1643 B14R1.123 CCCCCCC=Cc1ccccc1 271570a_200015348155_100000210277 [1,1,0,0,0,0|1,0,1]=4 1644 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [1,1,0,0,0,0|1,0,1]=4 1645 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [1,1,0,0,0,0|1,0,1]=4 1646 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [1,1,0,0,0,0|1,0,1]=4 1647 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [1,1,0,0,0,0|1,0,1]=4 1648 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [1,1,0,0,0,0|1,0,1]=4 1649 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210227_100016265936 [1,1,0,0,0,0|0,0,1]=3 1650 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210256_100000210210 [1,1,0,0,0,0|0,0,1]=3 1651 B14R1.123 CCCCOC/C=C/c1ccccc1 7a_100000210227_100016265936 [1,1,0,0,0,0|0,0,1]=3 1652 B14R1.123 CCCCOC/C=C/c1cccnc1 34a_200102594124_100000210210 [1,1,0,0,0,0|1,0,1]=4 1653 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100000210211_100016265936 [1,1,0,0,0,0|0,1,1]=4 1654 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100016265936_100000210210 [1,1,0,0,0,0|0,1,1]=4 1655 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100000739092_100016265936 [1,1,0,0,0,0|0,1,1]=4 1656 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100016265936_100000739092 [1,1,0,0,0,0|0,1,1]=4 1657 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100000209980_100016265936 [1,1,0,0,0,0|1,0,1]=4 1658 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100020603302_100011201679 [1,1,0,0,0,0|1,0,1]=4 1659 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603302_100011201679 [1,1,0,0,0,0|1,0,1]=4 1660 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603566_200000210301 [1,1,0,0,0,0|1,0,1]=4 1661 B14R1.123 COCCNCC=Cc1ccccc1 270004a_100000209980_100000210105 [1,1,0,0,0,0|1,0,1]=4 1662 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [1,1,0,0,0,0|0,0,1]=3 1663 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [1,1,0,0,0,0|0,0,1]=3 1664 B14R1.123 COCCOC/C=C/c1cccnc1 34a_200102594124_100011201679 [1,1,0,0,0,0|1,0,1]=4 1665 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100000233755_100016265936 [1,1,0,0,0,0|0,1,1]=4 1666 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100016265936_100000233755 [1,1,0,0,0,0|0,1,1]=4 1667 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020590264_100016265936 [1,1,0,0,0,0|1,0,1]=4 1668 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020603302_100000751147 [1,1,0,0,0,0|1,0,1]=4 1669 B14R1.123 CSCCNC/C=C/c1ccccc1 34a_100020603302_100000212216 [1,1,0,0,0,0|1,0,1]=4 1670 B14R1.123 CSCCNCC=Cc1ccccc1 270004a_100020590264_100000210105 [1,1,0,0,0,0|1,0,1]=4 1671 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000210256_100000212216 [1,1,0,0,0,0|0,0,1]=3 1672 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000230434_100016265936 [1,1,0,0,0,0|0,0,1]=3 1673 B14R1.123 CSCCOC/C=C/c1ccccc1 7a_100000230434_100016265936 [1,1,0,0,0,0|0,0,1]=3 1674 B14R1.123 CSCCOC/C=C/c1cccnc1 34a_200102594124_100000212216 [1,1,0,0,0,0|1,0,1]=4 1675 B14R1.123 CSCCSC/C=C/c1ccccc1 62a_100000212216_100016265936 [1,1,0,0,0,0|0,1,1]=4 1676 B14R1.123 CSCCSC/C=C/c1ccccc1 62a_100016265936_100000751147 [1,1,0,0,0,0|0,1,1]=4 1677 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [1,1,0,0,0,0|0,0,1]=3 1678 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100015189416_100016265936 [1,1,0,0,0,0|1,0,1]=4 1679 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100020603302_100011934791 [1,1,0,0,0,0|1,0,1]=4 1680 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100015189416_100016265936 [1,1,0,0,0,0|1,0,1]=4 1681 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100020603302_100011934791 [1,1,0,0,0,0|1,0,1]=4 1682 B14R1.123 FCCCNCC=Cc1ccccc1 270004a_100015189416_100000210105 [1,1,0,0,0,0|1,0,1]=4 1683 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000210256_100011934791 [1,1,0,0,0,0|0,0,1]=3 1684 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000759539_100016265936 [1,1,0,0,0,0|0,0,1]=3 1685 B14R1.123 FCCCOC/C=C/c1cccnc1 34a_200102594124_100011934791 [1,1,0,0,0,0|1,0,1]=4 1686 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100011934791_100016265936 [1,1,0,0,0,0|0,1,1]=4 1687 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100016265936_100011934791 [1,1,0,0,0,0|0,1,1]=4 1688 B14R1.123 NCCCOC/C=C/c1ccccc1 34a_100000182051_100016265936 [1,1,0,0,0,0|0,0,1]=3 1689 B14R1.123 NOCCOC/C=C/c1ccccc1 34a_100000700252_100016265936 [1,1,0,0,0,0|1,0,1]=4 1690 B14R1.123 OCCCNC/C=C/c1ccccc1 2230a_100020603302_100000230001 [1,1,0,0,0,0|1,0,1]=4 1691 B14R1.123 OCCCNC/C=C/c1ccccc1 34a_100020603302_100000230001 [1,1,0,0,0,0|1,0,1]=4 1692 B14R1.123 OCCCNCC=Cc1ccccc1 270004a_100000182051_100000210105 [1,1,0,0,0,0|1,0,1]=4 1693 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [1,1,0,0,0,0|0,0,1]=3 1694 B14R1.123 OCCCOC/C=C/c1cccnc1 34a_200102594124_100000230001 [1,1,0,0,0,0|1,0,1]=4 1695 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100011215043_100016265936 [1,1,0,0,0,0|0,1,1]=4 1696 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100016265936_100011215043 [1,1,0,0,0,0|0,1,1]=4 1697 B14R1.123 [13CH3]OCCNC/C=C/c1ccccc1 34a_100020603566_200025704644 [1,1,0,0,0,0|1,0,1]=4 1698 B14R1.158 C/C(=C\c1ccccc1)/COCCF 34a_200025717232_100011217306 [1,1,0,0,0,0|1,0,1]=4 1699 B14R1.158 C/C(=C\c1ccccc1)/COCCF 7a_200025717232_100011217306 [1,1,0,0,0,0|1,0,1]=4 1700 B14R1.158 C/C(=C\c1ccccc1)/COCCO 34a_200025717232_100000211926 [1,1,0,0,0,0|1,0,1]=4 1701 B14R1.158 C/C(=C\c1ccccc1)/COCCO 7a_200025717232_100000211926 [1,1,0,0,0,0|1,0,1]=4 1702 B14R1.158 CC/C=C/CC(=O)Cc1ccccc1 1458a_100016274230_100015291786 [1,1,0,0,0,0|1,0,1]=4 1703 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_100016274230 [1,1,0,0,0,0|2,0,0]=4 1704 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_100016274230 [1,1,0,0,0,0|2,0,0]=4 1705 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_100016274230 [1,1,0,0,0,0|2,0,0]=4 1706 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 527a_100000106764_100016274230 [1,1,0,0,0,0|2,0,0]=4 1707 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210303 [1,1,0,0,0,0|0,0,1]=3 1708 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210303 [1,1,0,0,0,0|0,0,1]=3 1709 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [1,1,0,0,0,0|0,0,2]=4 1710 B14R1.158 CCCOCC(=O)Nc1ccccc1 11a_100000106764_100000745993 [1,1,0,0,0,0|1,0,1]=4 1711 B14R1.158 CCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000745993 [1,1,0,0,0,0|1,0,1]=4 1712 B14R1.158 CCCOCC(=O)Nc1ccccc1 22a_100000106764_100000745993 [1,1,0,0,0,0|1,0,1]=4 1713 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000210258_100000182850 [1,1,0,0,0,0|1,0,1]=4 1714 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210303 [1,1,0,0,0,0|1,0,1]=4 1715 B14R1.158 CCCOCC(=O)Nc1ccccc1 527a_100000106764_100000745993 [1,1,0,0,0,0|1,0,1]=4 1716 B14R1.158 CCCOCC(=O)Oc1ccccc1 34a_100000210258_100009813826 [1,1,0,0,0,0|1,0,1]=4 1717 B14R1.158 CSCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011218213 [1,1,0,0,0,0|1,0,1]=4 1718 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210245_100016265936 [1,1,0,0,0,0|0,0,2]=4 1719 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210256_100000748629 [1,1,0,0,0,0|0,0,2]=4 1720 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [1,1,0,0,0,0|0,0,2]=4 1721 B14R1.422 CC(Br)COC/C=C/c1ccccc1 34a_100012180447_100016265936 [1,1,0,0,0,0|0,0,1]=3 1722 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100000210953_100016265936 [1,1,0,0,0,0|1,0,1]=4 1723 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000210760 [1,1,0,0,0,0|1,0,1]=4 1724 B14R1.422 CC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000210432 [1,1,0,0,0,0|1,0,1]=4 1725 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100000210953_100016265936 [1,1,0,0,0,0|1,0,1]=4 1726 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000210624 [1,1,0,0,0,0|1,0,1]=4 1727 B14R1.422 CC(C)CNCC=Cc1ccccc1 270004a_100000210953_100000210105 [1,1,0,0,0,0|1,0,1]=4 1728 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210256_100000210624 [1,1,0,0,0,0|0,0,1]=3 1729 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210257_100016265936 [1,1,0,0,0,0|0,0,1]=3 1730 B14R1.422 CC(C)COC/C=C/c1cccnc1 34a_200102594124_100000210624 [1,1,0,0,0,0|1,0,1]=4 1731 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100000210624_100016265936 [1,1,0,0,0,0|0,1,1]=4 1732 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000210760 [1,1,0,0,0,0|0,1,1]=4 1733 B14R1.422 CC(F)COC/C=C/c1ccccc1 34a_100015925927_100016265936 [1,1,0,0,0,0|0,0,1]=3 1734 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100000210904_100016265936 [1,1,0,0,0,0|1,0,1]=4 1735 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218427 [1,1,0,0,0,0|1,0,1]=4 1736 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100000210904_100016265936 [1,1,0,0,0,0|1,0,1]=4 1737 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218427 [1,1,0,0,0,0|1,0,1]=4 1738 B14R1.422 CC(O)CNCC=Cc1ccccc1 270004a_100000210904_100000210105 [1,1,0,0,0,0|1,0,1]=4 1739 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [1,1,0,0,0,0|0,0,1]=3 1740 B14R1.422 CC(O)COC/C=C/c1cccnc1 34a_200102594124_100011218427 [1,1,0,0,0,0|1,0,1]=4 1741 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100011218427_100016265936 [1,1,0,0,0,0|0,1,1]=4 1742 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218427 [1,1,0,0,0,0|0,1,1]=4 1743 B14R1.422 C[C@@H](Cl)COC/C=C/c1ccccc1 34a_100016084084_100016265936 [1,1,0,0,0,0|0,0,1]=3 1744 B14R1.422 C[C@@H](N)COC/C=C/c1ccccc1 34a_100000737577_100016265936 [1,1,0,0,0,0|0,0,1]=3 1745 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 2230a_100020603302_100009817552 [1,1,0,0,0,0|1,0,1]=4 1746 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 34a_100020603302_100009817552 [1,1,0,0,0,0|1,0,1]=4 1747 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [1,1,0,0,0,0|0,0,1]=3 1748 B14R1.422 C[C@@H](O)COC/C=C/c1cccnc1 34a_200102594124_100009817552 [1,1,0,0,0,0|1,0,1]=4 1749 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100009817552_100016265936 [1,1,0,0,0,0|0,1,1]=4 1750 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100016265936_100009817552 [1,1,0,0,0,0|0,1,1]=4 1751 B14R1.422 FC(F)COC/C=C/c1ccccc1 34a_100000210256_100011934356 [1,1,0,0,0,0|1,0,1]=4 1752 B14R1.422 FC(F)COC/C=C/c1ccccc1 34a_100000743014_100016265936 [1,1,0,0,0,0|1,0,1]=4 1753 B14R1.520 CC=CC(=O)C/C=C/c1ccccc1 1458a_100000210699_100016265936 [1,1,0,0,0,0|1,0,1]=4 1754 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100000211992_100016265936 [1,1,0,0,0,0|1,0,1]=4 1755 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210303 [1,1,0,0,0,0|1,0,1]=4 1756 B14R1.520 CCCN(C)C/C=C/c1ccccc1 2230a_100000747261_100016265936 [1,1,0,0,0,0|1,0,1]=4 1757 B14R1.520 CCCN(C)C/C=C/c1ccccc1 2230a_100020603570_200000210301 [1,1,0,0,0,0|1,0,1]=4 1758 B14R1.520 CCCN(C)C/C=C/c1ccccc1 269982a_100000747261_100016265936 [1,1,0,0,0,0|1,0,1]=4 1759 B14R1.520 CCCN(C)C/C=C/c1ccccc1 269982a_100020603570_200000210301 [1,1,0,0,0,0|1,0,1]=4 1760 B14R1.520 CCCN(C)C/C=C/c1ccccc1 34a_100020603570_200000210301 [1,1,0,0,0,0|1,0,1]=4 1761 B14R1.520 CCCN(C)CC=Cc1ccccc1 270004a_100000747261_100000210105 [1,1,0,0,0,0|1,0,1]=4 1762 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 2230a_100020603570_200025704644 [1,1,0,0,0,0|1,0,1]=4 1763 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 269982a_100020603570_200025704644 [1,1,0,0,0,0|1,0,1]=4 1764 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 34a_100020603570_200025704644 [1,1,0,0,0,0|1,0,1]=4 1765 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 11a_100015525214_100011219626 [1,1,0,0,0,0|2,0,0]=4 1766 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 240690a_100015525214_100011219626 [1,1,0,0,0,0|2,0,0]=4 1767 B14R1.882 CCCCCC=Cc1ccccc1Br 271570a_100000062253_100000695589 [1,1,0,0,0,0|1,0,1]=4 1768 B14R1.882 CCCCCC=Cc1ccccc1C 271570a_100000062253_100000210755 [1,1,0,0,0,0|1,0,1]=4 1769 B14R1.882 CCCCCC=Cc1ccccc1Cl 271570a_100000062253_100000764095 [1,1,0,0,0,0|1,0,1]=4 1770 B14R1.882 CCCCCC=Cc1ccccc1F 271570a_100000062253_100011215700 [1,1,0,0,0,0|1,0,1]=4 1771 B14R1.882 CCCCCC=Cc1ccccc1N 271570a_100000062253_100000210017 [1,1,0,0,0,0|1,0,1]=4 1772 B14R1.882 CCCCCC=Cc1ccccc1O 271570a_100000062253_100000739446 [1,1,0,0,0,0|1,0,1]=4 1773 B14R1.882 CCCNCC=Cc1ccccc1Br 270004a_100020643023_200016268969 [1,1,0,0,0,0|1,0,1]=4 1774 B14R1.882 CCCNCC=Cc1ccccc1Cl 270004a_100020643023_200102525841 [1,1,0,0,0,0|1,0,1]=4 1775 B14R1.882 CCCNCC=Cc1ccccc1F 270004a_100020643023_200102525844 [1,1,0,0,0,0|1,0,1]=4 1776 B14R1.148 CC(=O)OCC=Cc1c[n+](ccn1)[O-] 271570a_200000047263_100009880115 [1,1,0,0,0,0|2,0,0]=4 1777 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)C 271570a_200000047263_100000750283 [1,1,0,0,0,0|1,0,0]=3 1778 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)Cl 271570a_200000047263_100010167805 [1,1,0,0,0,0|1,0,0]=3 1779 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)F 271570a_200000047263_100009817058 [1,1,0,0,0,0|1,0,0]=3 1780 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)N 271570a_200000047263_100009814236 [1,1,0,0,0,0|1,0,0]=3 1781 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)O 271570a_200000047263_100000762945 [1,1,0,0,0,0|1,0,0]=3 1782 B14R1.148 CC(=O)OCC=Cc1cc(cnn1)C 271570a_200000047263_100000070100 [1,1,0,0,0,0|2,0,0]=4 1783 B14R1.148 CC(=O)OCC=Cc1cc(cnn1)O 271570a_200000047263_200010734679 [1,1,0,0,0,0|2,0,0]=4 1784 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)C 271570a_200000047263_100000744208 [1,1,0,0,0,0|2,0,0]=4 1785 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)F 271570a_200000047263_200009880791 [1,1,0,0,0,0|2,0,0]=4 1786 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)N 271570a_200000047263_100000701291 [1,1,0,0,0,0|2,0,0]=4 1787 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)O 271570a_200000047263_100000765262 [1,1,0,0,0,0|2,0,0]=4 1788 B14R1.148 CC(=O)OCC=Cc1cc[nH]c(=O)c1 271570a_200000047263_100009816521 [1,1,0,0,0,0|1,0,0]=3 1789 B14R1.148 CC(=O)OCC=Cc1cc[nH]c(=O)n1 271570a_200000047263_200000134032 [1,1,0,0,0,0|2,0,0]=4 1790 B14R1.148 CC(=O)OCC=Cc1ccc[n+](c1)C 271570a_200000047263_100009996589 [1,1,0,0,0,0|1,0,0]=3 1791 B14R1.148 CC(=O)OCC=Cc1ccc[n+](c1)[O-] 271570a_200000047263_100009815978 [1,1,0,0,0,0|1,0,0]=3 1792 B14R1.148 CC(=O)OCC=Cc1cccc(=O)[nH]1 271570a_200000047263_100000761760 [1,1,0,0,0,0|1,0,0]=3 1793 B14R1.148 CC(=O)OCC=Cc1cccc(c1)Br 271570a_200000047263_100000691529 [1,1,0,0,0,0|0,0,0]=2 1794 B14R1.148 CC(=O)OCC=Cc1cccc(c1)C 271570a_200000047263_100011215228 [1,1,0,0,0,0|0,0,0]=2 1795 B14R1.148 CC(=O)OCC=Cc1cccc(c1)Cl 271570a_200000047263_100000699651 [1,1,0,0,0,0|0,0,0]=2 1796 B14R1.148 CC(=O)OCC=Cc1cccc(c1)F 271570a_200000047263_100000685547 [1,1,0,0,0,0|0,0,0]=2 1797 B14R1.148 CC(=O)OCC=Cc1cccc(c1)N 271570a_200000047263_100000210019 [1,1,0,0,0,0|0,0,0]=2 1798 B14R1.148 CC(=O)OCC=Cc1cccc(c1)O 271570a_200000047263_100000211634 [1,1,0,0,0,0|0,0,0]=2 1799 B14R1.148 CC(=O)OCC=Cc1cccc(c1)[S] 271570a_200000047263_114929384022 [1,1,0,0,0,0|0,0,0]=2 1800 B14R1.148 CC(=O)OCC=Cc1cccc(n1)Br 271570a_200000047263_100000684672 [1,1,0,0,0,0|1,0,0]=3 1801 B14R1.148 CC(=O)OCC=Cc1cccc(n1)C 271570a_200000047263_100000742759 [1,1,0,0,0,0|1,0,0]=3 1802 B14R1.148 CC(=O)OCC=Cc1cccc(n1)F 271570a_200000047263_100009815982 [1,1,0,0,0,0|1,0,0]=3 1803 B14R1.148 CC(=O)OCC=Cc1cccc(n1)N 271570a_200000047263_100000740741 [1,1,0,0,0,0|1,0,0]=3 1804 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)Br 271570a_200000047263_100009814637 [1,1,0,0,0,0|1,0,0]=3 1805 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)C 271570a_200000047263_100000758586 [1,1,0,0,0,0|1,0,0]=3 1806 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)Cl 271570a_200000047263_100000035001 [1,1,0,0,0,0|1,0,0]=3 1807 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)F 271570a_200000047263_100009816116 [1,1,0,0,0,0|1,0,0]=3 1808 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)N 271570a_200000047263_100000744379 [1,1,0,0,0,0|1,0,0]=3 1809 B14R1.148 CC(=O)OCC=Cc1ccnc(n1)C 271570a_200000047263_100000749937 [1,1,0,0,0,0|2,0,0]=4 1810 B14R1.148 CC(=O)OCC=Cc1ccnc(n1)N 271570a_200000047263_100009820717 [1,1,0,0,0,0|2,0,0]=4 1811 B14R1.148 CC(=O)OCC=Cc1cn[nH]c(=O)c1 271570a_200000047263_100010197405 [1,1,0,0,0,0|2,0,0]=4 1812 B14R1.148 CC(=O)OCC=Cc1cncc(c1)Br 271570a_200000047263_100000728054 [1,1,0,0,0,0|1,0,0]=3 1813 B14R1.148 CC(=O)OCC=Cc1cncc(c1)C 271570a_200000047263_100000760492 [1,1,0,0,0,0|1,0,0]=3 1814 B14R1.148 CC(=O)OCC=Cc1cncc(c1)Cl 271570a_200000047263_100000049639 [1,1,0,0,0,0|1,0,0]=3 1815 B14R1.148 CC(=O)OCC=Cc1cncc(c1)F 271570a_200000047263_100000744099 [1,1,0,0,0,0|1,0,0]=3 1816 B14R1.148 CC(=O)OCC=Cc1cncc(c1)N 271570a_200000047263_100000687067 [1,1,0,0,0,0|1,0,0]=3 1817 B14R1.148 CC(=O)OCC=Cc1cncc(c1)O 271570a_200000047263_100000754920 [1,1,0,0,0,0|1,0,0]=3 1818 B14R1.148 CC(=O)OCC=Cc1cncc(n1)C 271570a_200000047263_100009842155 [1,1,0,0,0,0|2,0,0]=4 1819 B14R1.148 CC(=O)OCC=Cc1cncc(n1)F 271570a_200000047263_200009863489 [1,1,0,0,0,0|2,0,0]=4 1820 B14R1.148 CC(=O)OCC=Cc1cncc(n1)N 271570a_200000047263_100009819714 [1,1,0,0,0,0|2,0,0]=4 1821 B14R1.148 CC(=O)OCC=Cc1cncc(n1)O 271570a_200000047263_100011269956 [1,1,0,0,0,0|2,0,0]=4 1822 B14R1.148 CC(=O)OCC=Cc1cnnc(c1)N 271570a_200000047263_100000130277 [1,1,0,0,0,0|2,0,0]=4 1823 B14R1.148 CC(=O)OCC=Cc1nccc(n1)C 271570a_200000047263_100011243806 [1,1,0,0,0,0|2,0,0]=4 1824 B14R1.148 CC(=O)OCC=Cc1nccc(n1)N 271570a_200000047263_100000757536 [1,1,0,0,0,0|2,0,0]=4 1825 B14R1.148 CC(=O)OCC=Cc1nccc(n1)O 271570a_200000047263_100011649813 [1,1,0,0,0,0|2,0,0]=4 1826 B14R1.148 CC(=O)OCCNc1cccc(c1)Br 34a_100000210019_100009814007 [1,1,0,0,0,0|1,0,1]=4 1827 B14R1.148 CC(=O)OCCNc1cccc(c1)C 34a_100000188690_100009814007 [1,1,0,0,0,0|1,0,1]=4 1828 B14R1.148 CC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_100009814007 [1,1,0,0,0,0|1,0,1]=4 1829 B14R1.148 CC(=O)OCCNc1cccc(c1)F 34a_100000210047_100009814007 [1,1,0,0,0,0|1,0,1]=4 1830 B14R1.148 CC(=O)OCCNc1cccc(c1)I 34a_100000211102_100009814007 [1,1,0,0,0,0|1,0,1]=4 1831 B14R1.148 CC(=O)OCCNc1cccc(c1)O 34a_100000210217_100009814007 [1,1,0,0,0,0|1,0,1]=4 1832 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 34a_100000210342_100009814007 [1,1,0,0,0,0|1,0,1]=4 1833 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 7a_100000210342_100009814007 [1,1,0,0,0,0|1,0,1]=4 1834 B14R1.148 CC(=O)OCCOc1cccc(c1)C 34a_100000210337_100009814007 [1,1,0,0,0,0|1,0,1]=4 1835 B14R1.148 CC(=O)OCCOc1cccc(c1)C 7a_100000210337_100009814007 [1,1,0,0,0,0|1,0,1]=4 1836 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_100009814007 [1,1,0,0,0,0|1,0,1]=4 1837 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_100009814007 [1,1,0,0,0,0|1,0,1]=4 1838 B14R1.148 CC(=O)OCCOc1cccc(c1)F 34a_100000210426_100009814007 [1,1,0,0,0,0|1,0,1]=4 1839 B14R1.148 CC(=O)OCCOc1cccc(c1)F 7a_100000210426_100009814007 [1,1,0,0,0,0|1,0,1]=4 1840 B14R1.148 CC(=O)OCCOc1cccc(c1)I 34a_100000211634_100009814007 [1,1,0,0,0,0|1,0,1]=4 1841 B14R1.148 CC(=O)OCCOc1cccc(c1)I 7a_100000211634_100009814007 [1,1,0,0,0,0|1,0,1]=4 1842 B14R1.148 CC(=O)OCCOc1cccc(c1)N 34a_100000210217_100009814007 [1,1,0,0,0,0|1,0,1]=4 1843 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100000691529_100009814007 [1,1,0,0,0,0|1,0,1]=4 1844 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100009814007_100000691529 [1,1,0,0,0,0|1,0,1]=4 1845 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100009814007_100011215228 [1,1,0,0,0,0|1,0,1]=4 1846 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100011215228_100009814007 [1,1,0,0,0,0|1,0,1]=4 1847 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_100009814007 [1,1,0,0,0,0|1,0,1]=4 1848 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100009814007_100000699651 [1,1,0,0,0,0|1,0,1]=4 1849 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100000685547_100009814007 [1,1,0,0,0,0|1,0,1]=4 1850 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100009814007_100000685547 [1,1,0,0,0,0|1,0,1]=4 1851 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100000210019_100009814007 [1,1,0,0,0,0|1,0,1]=4 1852 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100009814007_100000210019 [1,1,0,0,0,0|1,0,1]=4 1853 B14R1.148 CC(=O)OCCSc1cccc(c1)O 62a_100009814007_100000211634 [1,1,0,0,0,0|1,0,1]=4 1854 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_100009814007_114929384022 [1,1,0,0,0,0|1,0,1]=4 1855 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_100009814007 [1,1,0,0,0,0|1,0,1]=4 1856 B14R1.148 CC(=O)OCNCc1cccc(c1)Br 34a_100000174977_100009813279 [1,1,0,0,0,0|1,0,1]=4 1857 B14R1.148 CC(=O)OCNCc1cccc(c1)C 34a_100000185548_100009813279 [1,1,0,0,0,0|1,0,1]=4 1858 B14R1.148 CC(=O)OCNCc1cccc(c1)Cl 34a_100000174878_100009813279 [1,1,0,0,0,0|1,0,1]=4 1859 B14R1.148 CC(=O)OCNCc1cccc(c1)F 34a_100000174948_100009813279 [1,1,0,0,0,0|1,0,1]=4 1860 B14R1.148 CC(=O)OCNCc1cccc(c1)I 34a_100000106179_100009813279 [1,1,0,0,0,0|1,0,1]=4 1861 B14R1.148 CC(=O)OCNCc1cccc(c1)O 34a_100000743036_100009813279 [1,1,0,0,0,0|1,0,1]=4 1862 B14R1.148 CC(=O)OCOCc1cccc(c1)Br 34a_100000687537_100009813279 [1,1,0,0,0,0|1,0,1]=4 1863 B14R1.148 CC(=O)OCOCc1cccc(c1)C 34a_100011217746_100009813279 [1,1,0,0,0,0|1,0,1]=4 1864 B14R1.148 CC(=O)OCOCc1cccc(c1)Cl 34a_100000241301_100009813279 [1,1,0,0,0,0|1,0,1]=4 1865 B14R1.148 CC(=O)OCOCc1cccc(c1)F 34a_100000210976_100009813279 [1,1,0,0,0,0|1,0,1]=4 1866 B14R1.148 CC(=O)OCOCc1cccc(c1)I 34a_100011215336_100009813279 [1,1,0,0,0,0|1,0,1]=4 1867 B14R1.148 CC(=O)OCOCc1cccc(c1)N 34a_100000211919_100009813279 [1,1,0,0,0,0|1,0,1]=4 1868 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000076356_100000211773 [1,1,0,0,0,0|1,0,1]=4 1869 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000076356 [1,1,0,0,0,0|1,0,1]=4 1870 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000076356_100000211840 [1,1,0,0,0,0|1,0,1]=4 1871 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000076356 [1,1,0,0,0,0|1,0,1]=4 1872 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000076356_100000187163 [1,1,0,0,0,0|1,0,1]=4 1873 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000076356 [1,1,0,0,0,0|1,0,1]=4 1874 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000076356_100000230114 [1,1,0,0,0,0|1,0,1]=4 1875 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000076356 [1,1,0,0,0,0|1,0,1]=4 1876 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100000076356_100011218688 [1,1,0,0,0,0|1,0,1]=4 1877 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000076356 [1,1,0,0,0,0|1,0,1]=4 1878 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100000076356_100011660834 [1,1,0,0,0,0|1,0,1]=4 1879 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000076356 [1,1,0,0,0,0|1,0,1]=4 1880 B14R1.159 CC(=O)OCC=Cc1c[nH]ccc1=O 271570a_200000047263_100009998708 [1,1,0,0,0,0|1,0,0]=3 1881 B14R1.159 CC(=O)OCC=Cc1c[nH]ccc1=S 271570a_200000047263_200012280681 [1,1,0,0,0,0|1,0,0]=3 1882 B14R1.159 CC(=O)OCC=Cc1ccc[nH]c1=O 271570a_200000047263_100000050042 [1,1,0,0,0,0|1,0,0]=3 1883 B14R1.159 CC(=O)OCC=Cc1cccc[n+]1C 271570a_200000047263_100000212160 [1,1,0,0,0,0|1,0,0]=3 1884 B14R1.159 CC(=O)OCC=Cc1cccc[n+]1[O-] 271570a_200000047263_200000042595 [1,1,0,0,0,0|1,0,0]=3 1885 B14R1.159 CC(=O)OCC=Cc1ccccc1Br 271570a_200000047263_100000695589 [1,1,0,0,0,0|0,0,0]=2 1886 B14R1.159 CC(=O)OCC=Cc1ccccc1C 271570a_200000047263_100000210755 [1,1,0,0,0,0|0,0,0]=2 1887 B14R1.159 CC(=O)OCC=Cc1ccccc1Cl 271570a_200000047263_100000764095 [1,1,0,0,0,0|0,0,0]=2 1888 B14R1.159 CC(=O)OCC=Cc1ccccc1F 271570a_200000047263_100011215700 [1,1,0,0,0,0|0,0,0]=2 1889 B14R1.159 CC(=O)OCC=Cc1ccccc1N 271570a_200000047263_100000210017 [1,1,0,0,0,0|0,0,0]=2 1890 B14R1.159 CC(=O)OCC=Cc1ccccc1O 271570a_200000047263_100000739446 [1,1,0,0,0,0|0,0,0]=2 1891 B14R1.159 CC(=O)OCC=Cc1cccnc1Br 271570a_200000047263_100010202626 [1,1,0,0,0,0|1,0,0]=3 1892 B14R1.159 CC(=O)OCC=Cc1cccnc1C 271570a_200000047263_100000751574 [1,1,0,0,0,0|1,0,0]=3 1893 B14R1.159 CC(=O)OCC=Cc1cccnc1Cl 271570a_200000047263_100000036424 [1,1,0,0,0,0|1,0,0]=3 1894 B14R1.159 CC(=O)OCC=Cc1cccnc1F 271570a_200000047263_100009816115 [1,1,0,0,0,0|1,0,0]=3 1895 B14R1.159 CC(=O)OCC=Cc1cccnc1N 271570a_200000047263_100000045569 [1,1,0,0,0,0|1,0,0]=3 1896 B14R1.159 CC(=O)OCC=Cc1ccn[nH]c1=O 271570a_200000047263_100000087129 [1,1,0,0,0,0|2,0,0]=4 1897 B14R1.159 CC(=O)OCC=Cc1ccncc1Br 271570a_200000047263_100000726257 [1,1,0,0,0,0|1,0,0]=3 1898 B14R1.159 CC(=O)OCC=Cc1ccncc1C 271570a_200000047263_100015191297 [1,1,0,0,0,0|1,0,0]=3 1899 B14R1.159 CC(=O)OCC=Cc1ccncc1Cl 271570a_200000047263_100000708259 [1,1,0,0,0,0|1,0,0]=3 1900 B14R1.159 CC(=O)OCC=Cc1ccncc1F 271570a_200000047263_100000047030 [1,1,0,0,0,0|1,0,0]=3 1901 B14R1.159 CC(=O)OCC=Cc1ccncc1N 271570a_200000047263_100009815883 [1,1,0,0,0,0|1,0,0]=3 1902 B14R1.159 CC(=O)OCC=Cc1ccncc1O 271570a_200000047263_100009817591 [1,1,0,0,0,0|1,0,0]=3 1903 B14R1.159 CC(=O)OCC=Cc1cnccc1Br 271570a_200000047263_100010138639 [1,1,0,0,0,0|1,0,0]=3 1904 B14R1.159 CC(=O)OCC=Cc1cnccc1C 271570a_200000047263_100000761580 [1,1,0,0,0,0|1,0,0]=3 1905 B14R1.159 CC(=O)OCC=Cc1cnccc1Cl 271570a_200000047263_100009995489 [1,1,0,0,0,0|1,0,0]=3 1906 B14R1.159 CC(=O)OCC=Cc1cnccc1F 271570a_200000047263_100009820683 [1,1,0,0,0,0|1,0,0]=3 1907 B14R1.159 CC(=O)OCC=Cc1cnccc1N 271570a_200000047263_100000047001 [1,1,0,0,0,0|1,0,0]=3 1908 B14R1.159 CC(=O)OCC=Cc1cncnc1Br 271570a_200000047263_200012461658 [1,1,0,0,0,0|2,0,0]=4 1909 B14R1.159 CC(=O)OCC=Cc1cncnc1C 271570a_200000047263_100009819671 [1,1,0,0,0,0|2,0,0]=4 1910 B14R1.159 CC(=O)OCC=Cc1cncnc1Cl 271570a_200000047263_100000758962 [1,1,0,0,0,0|2,0,0]=4 1911 B14R1.159 CC(=O)OCC=Cc1cncnc1N 271570a_200000047263_100011996079 [1,1,0,0,0,0|2,0,0]=4 1912 B14R1.159 CC(=O)OCC=Cc1cncnc1O 271570a_200000047263_100000751107 [1,1,0,0,0,0|2,0,0]=4 1913 B14R1.159 CC(=O)OCC=Cc1cnncc1N 271570a_200000047263_100009829405 [1,1,0,0,0,0|2,0,0]=4 1914 B14R1.159 CC(=O)OCC=Cc1ncc[nH]c1=O 271570a_200000047263_100000763361 [1,1,0,0,0,0|2,0,0]=4 1915 B14R1.159 CC(=O)OCC=Cc1ncccc1Br 271570a_200000047263_100000696092 [1,1,0,0,0,0|1,0,0]=3 1916 B14R1.159 CC(=O)OCC=Cc1ncccc1C 271570a_200000047263_100000751373 [1,1,0,0,0,0|1,0,0]=3 1917 B14R1.159 CC(=O)OCC=Cc1ncccc1Cl 271570a_200000047263_100011356963 [1,1,0,0,0,0|1,0,0]=3 1918 B14R1.159 CC(=O)OCC=Cc1ncccc1F 271570a_200000047263_100000685392 [1,1,0,0,0,0|1,0,0]=3 1919 B14R1.159 CC(=O)OCC=Cc1ncccc1N 271570a_200000047263_100000688686 [1,1,0,0,0,0|1,0,0]=3 1920 B14R1.159 CC(=O)OCC=Cc1ncccc1O 271570a_200000047263_100000034122 [1,1,0,0,0,0|1,0,0]=3 1921 B14R1.159 CC(=O)OCC=Cc1nccnc1C 271570a_200000047263_100011999405 [1,1,0,0,0,0|2,0,0]=4 1922 B14R1.159 CC(=O)OCC=Cc1nccnc1F 271570a_200000047263_200010125657 [1,1,0,0,0,0|2,0,0]=4 1923 B14R1.159 CC(=O)OCC=Cc1nccnc1N 271570a_200000047263_100000747729 [1,1,0,0,0,0|2,0,0]=4 1924 B14R1.159 CC(=O)OCC=Cc1ncncc1C 271570a_200000047263_100011998708 [1,1,0,0,0,0|2,0,0]=4 1925 B14R1.159 CC(=O)OCC=Cc1ncncc1F 271570a_200000047263_100000069762 [1,1,0,0,0,0|2,0,0]=4 1926 B14R1.159 CC(=O)OCC=Cc1ncncc1N 271570a_200000047263_100000709731 [1,1,0,0,0,0|2,0,0]=4 1927 B14R1.159 CC(=O)OCC=Cc1nnccc1C 271570a_200000047263_100000089043 [1,1,0,0,0,0|2,0,0]=4 1928 B14R1.159 CC(=O)OCCNc1ccccc1Br 34a_100000210017_100009814007 [1,1,0,0,0,0|1,0,1]=4 1929 B14R1.159 CC(=O)OCCNc1ccccc1C 34a_100015192222_100009814007 [1,1,0,0,0,0|1,0,1]=4 1930 B14R1.159 CC(=O)OCCNc1ccccc1Cl 34a_100000185783_100009814007 [1,1,0,0,0,0|1,0,1]=4 1931 B14R1.159 CC(=O)OCCNc1ccccc1F 34a_100000210422_100009814007 [1,1,0,0,0,0|1,0,1]=4 1932 B14R1.159 CC(=O)OCCNc1ccccc1I 34a_100000210053_100009814007 [1,1,0,0,0,0|1,0,1]=4 1933 B14R1.159 CC(=O)OCCNc1ccccc1O 34a_100000185747_100009814007 [1,1,0,0,0,0|1,0,1]=4 1934 B14R1.159 CC(=O)OCCOc1ccccc1Br 34a_100000181306_100009814007 [1,1,0,0,0,0|1,0,1]=4 1935 B14R1.159 CC(=O)OCCOc1ccccc1Br 7a_100000181306_100009814007 [1,1,0,0,0,0|1,0,1]=4 1936 B14R1.159 CC(=O)OCCOc1ccccc1C 34a_100000210338_100009814007 [1,1,0,0,0,0|1,0,1]=4 1937 B14R1.159 CC(=O)OCCOc1ccccc1C 7a_100000210338_100009814007 [1,1,0,0,0,0|1,0,1]=4 1938 B14R1.159 CC(=O)OCCOc1ccccc1Cl 34a_100000210172_100009814007 [1,1,0,0,0,0|1,0,1]=4 1939 B14R1.159 CC(=O)OCCOc1ccccc1Cl 7a_100000210172_100009814007 [1,1,0,0,0,0|1,0,1]=4 1940 B14R1.159 CC(=O)OCCOc1ccccc1F 34a_100000210171_100009814007 [1,1,0,0,0,0|1,0,1]=4 1941 B14R1.159 CC(=O)OCCOc1ccccc1F 7a_100000210171_100009814007 [1,1,0,0,0,0|1,0,1]=4 1942 B14R1.159 CC(=O)OCCOc1ccccc1I 34a_100000739446_100009814007 [1,1,0,0,0,0|1,0,1]=4 1943 B14R1.159 CC(=O)OCCOc1ccccc1I 7a_100000739446_100009814007 [1,1,0,0,0,0|1,0,1]=4 1944 B14R1.159 CC(=O)OCCOc1ccccc1N 34a_100000185747_100009814007 [1,1,0,0,0,0|1,0,1]=4 1945 B14R1.159 CC(=O)OCCOc1ccccc1N 7a_100000185747_100009814007 [1,1,0,0,0,0|1,0,1]=4 1946 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100000695589_100009814007 [1,1,0,0,0,0|1,0,1]=4 1947 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100009814007_100000695589 [1,1,0,0,0,0|1,0,1]=4 1948 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100000210755_100009814007 [1,1,0,0,0,0|1,0,1]=4 1949 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100009814007_100000210755 [1,1,0,0,0,0|1,0,1]=4 1950 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100000764095_100009814007 [1,1,0,0,0,0|1,0,1]=4 1951 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100009814007_100000764095 [1,1,0,0,0,0|1,0,1]=4 1952 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100009814007_100011215700 [1,1,0,0,0,0|1,0,1]=4 1953 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100011215700_100009814007 [1,1,0,0,0,0|1,0,1]=4 1954 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100000210017_100009814007 [1,1,0,0,0,0|1,0,1]=4 1955 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100009814007_100000210017 [1,1,0,0,0,0|1,0,1]=4 1956 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100000739446_100009814007 [1,1,0,0,0,0|1,0,1]=4 1957 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100009814007_100000739446 [1,1,0,0,0,0|1,0,1]=4 1958 B14R1.159 CC(=O)OCNCc1ccccc1Br 34a_100000689332_100009813279 [1,1,0,0,0,0|1,0,1]=4 1959 B14R1.159 CC(=O)OCNCc1ccccc1C 34a_100000174972_100009813279 [1,1,0,0,0,0|1,0,1]=4 1960 B14R1.159 CC(=O)OCNCc1ccccc1Cl 34a_100000174879_100009813279 [1,1,0,0,0,0|1,0,1]=4 1961 B14R1.159 CC(=O)OCNCc1ccccc1F 34a_100000174869_100009813279 [1,1,0,0,0,0|1,0,1]=4 1962 B14R1.159 CC(=O)OCNCc1ccccc1O 34a_100000185550_100009813279 [1,1,0,0,0,0|1,0,1]=4 1963 B14R1.159 CC(=O)OCOCc1ccccc1Br 34a_100000756307_100009813279 [1,1,0,0,0,0|1,0,1]=4 1964 B14R1.159 CC(=O)OCOCc1ccccc1C 34a_100000698903_100009813279 [1,1,0,0,0,0|1,0,1]=4 1965 B14R1.159 CC(=O)OCOCc1ccccc1Cl 34a_100000210847_100009813279 [1,1,0,0,0,0|1,0,1]=4 1966 B14R1.159 CC(=O)OCOCc1ccccc1F 34a_100000211962_100009813279 [1,1,0,0,0,0|1,0,1]=4 1967 B14R1.159 CC(=O)OCOCc1ccccc1I 34a_100000187465_100009813279 [1,1,0,0,0,0|1,0,1]=4 1968 B14R1.159 CC(=O)OCOCc1ccccc1N 34a_100000212039_100009813279 [1,1,0,0,0,0|1,0,1]=4 1969 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000076356_100000184730 [1,1,0,0,0,0|1,0,1]=4 1970 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000184730_100000076356 [1,1,0,0,0,0|1,0,1]=4 1971 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000076356_100000211839 [1,1,0,0,0,0|1,0,1]=4 1972 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000211839_100000076356 [1,1,0,0,0,0|1,0,1]=4 1973 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000076356_100000187162 [1,1,0,0,0,0|1,0,1]=4 1974 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000076356 [1,1,0,0,0,0|1,0,1]=4 1975 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000076356_100000211605 [1,1,0,0,0,0|1,0,1]=4 1976 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000211605_100000076356 [1,1,0,0,0,0|1,0,1]=4 1977 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100000076356_100011216222 [1,1,0,0,0,0|1,0,1]=4 1978 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100011216222_100000076356 [1,1,0,0,0,0|1,0,1]=4 1979 B14R1.420 C=C(CCCC(=O)C)c1ccccc1 1458a_200009911520_200000210301 [1,1,0,0,0,0|1,0,1]=4 1980 B14R1.420 C=C(CCCC(=O)[13CH3])c1ccccc1 1458a_200009911520_200025704644 [1,1,0,0,0,0|1,0,1]=4 1981 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [1,1,0,0,0,0|1,0,1]=4 1982 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [1,1,0,0,0,0|1,0,1]=4 1983 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [1,1,0,0,0,0|2,0,0]=4 1984 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [1,1,0,0,0,0|2,0,0]=4 1985 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [1,1,0,0,0,0|2,0,0]=4 1986 B14R1.420 CC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_100000189650 [1,1,0,0,0,0|1,0,1]=4 1987 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [1,1,0,0,0,0|0,0,1]=3 1988 B14R1.420 CC(=O)OCCN(C)c1ccccc1 269982a_100000210012_100009814007 [1,1,0,0,0,0|1,0,1]=4 1989 B14R1.420 CC(=O)OCCN(C)c1ccccc1 34a_100000210012_100009814007 [1,1,0,0,0,0|1,0,1]=4 1990 B14R1.420 CC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_100009813279 [1,1,0,0,0,0|1,0,1]=4 1991 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000076356_100000230085 [1,1,0,0,0,0|1,0,1]=4 1992 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000076356 [1,1,0,0,0,0|1,0,1]=4 1993 B14R1.420 NC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011214921 [1,1,0,0,0,0|1,0,1]=4 1994 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [1,1,0,0,0,0|2,0,0]=4 1995 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 34a_200025717232_100000210206 [1,1,0,0,0,0|1,0,1]=4 1996 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 7a_200025717232_100000210206 [1,1,0,0,0,0|1,0,1]=4 1997 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [1,1,0,0,0,0|2,0,0]=4 1998 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [1,1,0,0,0,0|2,0,0]=4 1999 B14R1.423 CC(=O)CCC(=O)Oc1ccccc1 1458a_100000070787_200000035796 [1,1,0,0,0,0|2,0,0]=4 2000 B14R1.423 CC(=O)NCC(=O)Cc1ccccc1 1458a_100000194580_100015291786 [1,1,0,0,0,0|1,0,1]=4 2001 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000194580 [1,1,0,0,0,0|2,0,0]=4 2002 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100015343762 [1,1,0,0,0,0|2,0,0]=4 2003 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000194580 [1,1,0,0,0,0|2,0,0]=4 2004 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100015343762 [1,1,0,0,0,0|2,0,0]=4 2005 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000194580 [1,1,0,0,0,0|2,0,0]=4 2006 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100015343762 [1,1,0,0,0,0|2,0,0]=4 2007 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000194580 [1,1,0,0,0,0|2,0,0]=4 2008 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100103153847 [1,1,0,0,0,0|2,0,0]=4 2009 B14R1.423 CC(=O)OCC(=O)Cc1ccccc1 1458a_100000183556_100015291786 [1,1,0,0,0,0|0,0,1]=3 2010 B14R1.423 CC(=O)OCC(=O)Cc1ccccn1 1458a_100000183556_100000721315 [1,1,0,0,0,0|1,0,1]=4 2011 B14R1.423 CC(=O)OCC(=O)Cc1cccnc1 1458a_100000183556_100000733263 [1,1,0,0,0,0|1,0,1]=4 2012 B14R1.423 CC(=O)OCC(=O)Cc1ccncc1 1458a_100000183556_100000705612 [1,1,0,0,0,0|1,0,1]=4 2013 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 1626a_100000106764_100000183556 [1,1,0,0,0,0|1,0,0]=3 2014 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 22a_100000106764_100000183556 [1,1,0,0,0,0|1,0,0]=3 2015 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 527a_100000106764_100000183556 [1,1,0,0,0,0|1,0,0]=3 2016 B14R1.423 CC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_100000076356 [1,1,0,0,0,0|1,0,1]=4 2017 B14R1.423 CC(=O)SCC(=O)Cc1ccccc1 1458a_100000049016_100015291786 [1,1,0,0,0,0|0,1,1]=4 2018 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 11a_100000106764_100000049016 [1,1,0,0,0,0|1,1,0]=4 2019 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 1626a_100000106764_100000049016 [1,1,0,0,0,0|1,1,0]=4 2020 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [1,1,0,0,0,0|2,0,0]=4 2021 B14R1.677 CC(=O)OCC=Cc1cc[n+](cc1)[O-] 271570a_200000047263_100000039755 [1,1,0,0,0,0|1,0,0]=3 2022 B14R1.677 CC(=O)OCC=Cc1ccc(=O)[nH]c1 271570a_200000047263_100000212171 [1,1,0,0,0,0|1,0,0]=3 2023 B14R1.677 CC(=O)OCC=Cc1ccc(=O)[nH]n1 271570a_200000047263_100009820020 [1,1,0,0,0,0|2,0,0]=4 2024 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)Br 271570a_200000047263_100000752885 [1,1,0,0,0,0|0,0,0]=2 2025 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)C 271570a_200000047263_100000186775 [1,1,0,0,0,0|0,0,0]=2 2026 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)Cl 271570a_200000047263_100000755918 [1,1,0,0,0,0|0,0,0]=2 2027 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)F 271570a_200000047263_100000211213 [1,1,0,0,0,0|0,0,0]=2 2028 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)N 271570a_200000047263_100000185761 [1,1,0,0,0,0|0,0,0]=2 2029 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)O 271570a_200000047263_100000185759 [1,1,0,0,0,0|0,0,0]=2 2030 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)Br 271570a_200000047263_100000686858 [1,1,0,0,0,0|1,0,0]=3 2031 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)C 271570a_200000047263_100000754016 [1,1,0,0,0,0|1,0,0]=3 2032 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)Cl 271570a_200000047263_100011356976 [1,1,0,0,0,0|1,0,0]=3 2033 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)F 271570a_200000047263_100000744514 [1,1,0,0,0,0|1,0,0]=3 2034 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)N 271570a_200000047263_100000744251 [1,1,0,0,0,0|1,0,0]=3 2035 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)O 271570a_200000047263_100000685995 [1,1,0,0,0,0|1,0,0]=3 2036 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)Br 271570a_200000047263_100009814638 [1,1,0,0,0,0|1,0,0]=3 2037 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)C 271570a_200000047263_100000751577 [1,1,0,0,0,0|1,0,0]=3 2038 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)Cl 271570a_200000047263_100000034144 [1,1,0,0,0,0|1,0,0]=3 2039 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)F 271570a_200000047263_100000748661 [1,1,0,0,0,0|1,0,0]=3 2040 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)N 271570a_200000047263_100000187370 [1,1,0,0,0,0|1,0,0]=3 2041 B14R1.677 CC(=O)OCC=Cc1ccc(nn1)C 271570a_200000047263_100011450037 [1,1,0,0,0,0|2,0,0]=4 2042 B14R1.677 CC(=O)OCC=Cc1ccc(nn1)N 271570a_200000047263_100009816609 [1,1,0,0,0,0|2,0,0]=4 2043 B14R1.677 CC(=O)OCC=Cc1cnc(=O)[nH]c1 271570a_200000047263_102495366499 [1,1,0,0,0,0|2,0,0]=4 2044 B14R1.677 CC(=O)OCC=Cc1cnc(cn1)C 271570a_200000047263_100011999403 [1,1,0,0,0,0|2,0,0]=4 2045 B14R1.677 CC(=O)OCC=Cc1cnc(cn1)F 271570a_200000047263_100009856528 [1,1,0,0,0,0|2,0,0]=4 2046 B14R1.677 CC(=O)OCC=Cc1cnc(cn1)N 271570a_200000047263_100000761932 [1,1,0,0,0,0|2,0,0]=4 2047 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)Br 271570a_200000047263_200012349914 [1,1,0,0,0,0|2,0,0]=4 2048 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)C 271570a_200000047263_100000686985 [1,1,0,0,0,0|2,0,0]=4 2049 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)F 271570a_200000047263_100000685262 [1,1,0,0,0,0|2,0,0]=4 2050 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)N 271570a_200000047263_100000760574 [1,1,0,0,0,0|2,0,0]=4 2051 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)Br 271570a_200000047263_100000690281 [1,1,0,0,0,0|2,0,0]=4 2052 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)C 271570a_200000047263_100011825175 [1,1,0,0,0,0|2,0,0]=4 2053 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)Cl 271570a_200000047263_100011356929 [1,1,0,0,0,0|2,0,0]=4 2054 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)F 271570a_200000047263_100000685220 [1,1,0,0,0,0|2,0,0]=4 2055 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)N 271570a_200000047263_100000068403 [1,1,0,0,0,0|2,0,0]=4 2056 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)O 271570a_200000047263_100000730009 [1,1,0,0,0,0|2,0,0]=4 2057 B14R1.677 CC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_100009814007 [1,1,0,0,0,0|1,0,1]=4 2058 B14R1.677 CC(=O)OCCNc1ccc(cc1)C 34a_100000124888_100009814007 [1,1,0,0,0,0|1,0,1]=4 2059 B14R1.677 CC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_100009814007 [1,1,0,0,0,0|1,0,1]=4 2060 B14R1.677 CC(=O)OCCNc1ccc(cc1)F 34a_100000185862_100009814007 [1,1,0,0,0,0|1,0,1]=4 2061 B14R1.677 CC(=O)OCCNc1ccc(cc1)I 34a_100000185761_100009814007 [1,1,0,0,0,0|1,0,1]=4 2062 B14R1.677 CC(=O)OCCNc1ccc(cc1)O 34a_100000185829_100009814007 [1,1,0,0,0,0|1,0,1]=4 2063 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_100009814007 [1,1,0,0,0,0|1,0,1]=4 2064 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_100009814007 [1,1,0,0,0,0|1,0,1]=4 2065 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 34a_100000210336_100009814007 [1,1,0,0,0,0|1,0,1]=4 2066 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 7a_100000210336_100009814007 [1,1,0,0,0,0|1,0,1]=4 2067 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_100009814007 [1,1,0,0,0,0|1,0,1]=4 2068 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_100009814007 [1,1,0,0,0,0|1,0,1]=4 2069 B14R1.677 CC(=O)OCCOc1ccc(cc1)F 34a_100000210339_100009814007 [1,1,0,0,0,0|1,0,1]=4 2070 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 34a_100000212066_100009814007 [1,1,0,0,0,0|1,0,1]=4 2071 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 7a_100000212066_100009814007 [1,1,0,0,0,0|1,0,1]=4 2072 B14R1.677 CC(=O)OCCOc1ccc(cc1)N 34a_100000185829_100009814007 [1,1,0,0,0,0|1,0,1]=4 2073 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_100009814007 [1,1,0,0,0,0|1,0,1]=4 2074 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100009814007_100000752885 [1,1,0,0,0,0|1,0,1]=4 2075 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100000186775_100009814007 [1,1,0,0,0,0|1,0,1]=4 2076 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100009814007_100000186775 [1,1,0,0,0,0|1,0,1]=4 2077 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_100009814007 [1,1,0,0,0,0|1,0,1]=4 2078 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100009814007_100000755918 [1,1,0,0,0,0|1,0,1]=4 2079 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100000211213_100009814007 [1,1,0,0,0,0|1,0,1]=4 2080 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100009814007_100000211213 [1,1,0,0,0,0|1,0,1]=4 2081 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100000185761_100009814007 [1,1,0,0,0,0|1,0,1]=4 2082 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100009814007_100000185761 [1,1,0,0,0,0|1,0,1]=4 2083 B14R1.677 CC(=O)OCCSc1ccc(cc1)O 62a_100009814007_100000185759 [1,1,0,0,0,0|1,0,1]=4 2084 B14R1.677 CC(=O)OCNCc1ccc(cc1)Br 34a_100000174875_100009813279 [1,1,0,0,0,0|1,0,1]=4 2085 B14R1.677 CC(=O)OCNCc1ccc(cc1)C 34a_100000174908_100009813279 [1,1,0,0,0,0|1,0,1]=4 2086 B14R1.677 CC(=O)OCNCc1ccc(cc1)Cl 34a_100000174871_100009813279 [1,1,0,0,0,0|1,0,1]=4 2087 B14R1.677 CC(=O)OCNCc1ccc(cc1)F 34a_100000174882_100009813279 [1,1,0,0,0,0|1,0,1]=4 2088 B14R1.677 CC(=O)OCNCc1ccc(cc1)I 34a_100016989417_100009813279 [1,1,0,0,0,0|1,0,1]=4 2089 B14R1.677 CC(=O)OCNCc1ccc(cc1)O 34a_100000185549_100009813279 [1,1,0,0,0,0|1,0,1]=4 2090 B14R1.677 CC(=O)OCOCc1ccc(cc1)Br 34a_100000695286_100009813279 [1,1,0,0,0,0|1,0,1]=4 2091 B14R1.677 CC(=O)OCOCc1ccc(cc1)C 34a_100011215236_100009813279 [1,1,0,0,0,0|1,0,1]=4 2092 B14R1.677 CC(=O)OCOCc1ccc(cc1)Cl 34a_100000211118_100009813279 [1,1,0,0,0,0|1,0,1]=4 2093 B14R1.677 CC(=O)OCOCc1ccc(cc1)F 34a_100000210977_100009813279 [1,1,0,0,0,0|1,0,1]=4 2094 B14R1.677 CC(=O)OCOCc1ccc(cc1)I 34a_100000690907_100009813279 [1,1,0,0,0,0|1,0,1]=4 2095 B14R1.677 CC(=O)OCOCc1ccc(cc1)N 34a_100011215238_100009813279 [1,1,0,0,0,0|1,0,1]=4 2096 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000076356_100000189115 [1,1,0,0,0,0|1,0,1]=4 2097 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000076356 [1,1,0,0,0,0|1,0,1]=4 2098 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000076356_100000210814 [1,1,0,0,0,0|1,0,1]=4 2099 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000076356 [1,1,0,0,0,0|1,0,1]=4 2100 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000076356_100000187161 [1,1,0,0,0,0|1,0,1]=4 2101 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000076356 [1,1,0,0,0,0|1,0,1]=4 2102 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000076356_100000187164 [1,1,0,0,0,0|1,0,1]=4 2103 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000076356 [1,1,0,0,0,0|1,0,1]=4 2104 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000076356_100000189116 [1,1,0,0,0,0|1,0,1]=4 2105 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000076356 [1,1,0,0,0,0|1,0,1]=4 2106 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [1,1,0,0,0,0|1,0,1]=4 2107 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [1,1,0,0,0,0|1,0,1]=4 2108 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 34a_100000210256_100000210625 [1,1,0,0,0,0|1,0,1]=4 2109 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 34a_100015890283_100016265936 [1,1,0,0,0,0|1,0,1]=4 2110 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 7a_100015890283_100016265936 [1,1,0,0,0,0|1,0,1]=4 2111 B14R1.3331 CS(=O)(=O)NC/C=C/c1ccccc1 40a_100020603302_100000738038 [1,1,0,0,0,0|2,0,0]=4 2112 B14R1.6449 C=C(C)C(=O)C/C=C/c1ccccc1 1458a_100000185857_100016265936 [1,1,0,0,0,0|2,0,0]=4 2113 B14R1.729 CCC(=O)CCCC(=C1C=CC=C1)C 1458a_100009924236_100000210202 [0,1,0,0,1,0|1,0,1]=4 2114 B14R1.13 CCC(=O)CC#Cc1ccc(cc1)Br 1458a_100000210414_100010706785 [0,1,0,0,1,0|0,0,2]=4 2115 B14R1.13 CCC(=O)CC#Cc1ccc(cc1)F 1458a_100000210414_100010402171 [0,1,0,0,1,0|0,0,2]=4 2116 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100000210414_100011713682 [0,1,0,0,1,0|0,0,2]=4 2117 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_100000210202 [0,1,0,0,1,0|0,0,2]=4 2118 B14R1.13 CCC(=O)CCCc1ccc(cc1)C 1458a_100000741418_100000210202 [0,1,0,0,1,0|0,0,2]=4 2119 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000210414_100000759440 [0,1,0,0,1,0|0,0,2]=4 2120 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_100000210202 [0,1,0,0,1,0|0,0,2]=4 2121 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100000210414_200011713563 [0,1,0,0,1,0|0,0,2]=4 2122 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100011219804_100000210202 [0,1,0,0,1,0|0,0,2]=4 2123 B14R1.13 CCC(=O)CCCc1ccc(cc1)I 1458a_100011236544_100000210202 [0,1,0,0,1,0|0,0,2]=4 2124 B14R1.13 CCC(=O)CCCc1ccc(cc1)O 1458a_100000116853_100000210202 [0,1,0,0,1,0|0,0,2]=4 2125 B14R1.13 CCC(=O)CCOc1ccc(cc1)Br 1458a_100000210414_100000183278 [0,1,0,0,1,0|1,0,1]=4 2126 B14R1.13 CCC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_100000210202 [0,1,0,0,1,0|1,0,1]=4 2127 B14R1.13 CCC(=O)CCOc1ccc(cc1)C 1458a_100000182323_100000210202 [0,1,0,0,1,0|1,0,1]=4 2128 B14R1.13 CCC(=O)CCOc1ccc(cc1)C 1458a_100000210414_100000183172 [0,1,0,0,1,0|1,0,1]=4 2129 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_100000210202 [0,1,0,0,1,0|1,0,1]=4 2130 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000210414_100000184122 [0,1,0,0,1,0|1,0,1]=4 2131 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000210414_100000184936 [0,1,0,0,1,0|1,0,1]=4 2132 B14R1.13 CCC(=O)CCOc1ccc(cc1)F 1458a_100000737396_100000210202 [0,1,0,0,1,0|1,0,1]=4 2133 B14R1.13 CCC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_100000210202 [0,1,0,0,1,0|1,0,1]=4 2134 B14R1.13 CCC(=O)CCSc1ccc(cc1)C 1458a_100000182377_100000210202 [0,1,0,0,1,0|1,0,1]=4 2135 B14R1.13 CCC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_100000210202 [0,1,0,0,1,0|1,0,1]=4 2136 B14R1.13 CCC(=O)CCSc1ccc(cc1)F 1458a_100000199091_100000210202 [0,1,0,0,1,0|1,0,1]=4 2137 B14R1.13 CCC(=O)COCc1ccc(cc1)Br 1458a_200012349173_100000210202 [0,1,0,0,1,0|1,0,1]=4 2138 B14R1.13 CCC(=O)COCc1ccc(cc1)Br 34a_100000725409_100000189115 [0,1,0,0,1,0|1,0,1]=4 2139 B14R1.13 CCC(=O)COCc1ccc(cc1)C 34a_100000725409_100000210814 [0,1,0,0,1,0|1,0,1]=4 2140 B14R1.13 CCC(=O)COCc1ccc(cc1)C 7a_100011215236_100000747405 [0,1,0,0,1,0|1,0,1]=4 2141 B14R1.13 CCC(=O)COCc1ccc(cc1)Cl 34a_100000725409_100000694040 [0,1,0,0,1,0|1,0,1]=4 2142 B14R1.13 CCC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000747405 [0,1,0,0,1,0|1,0,1]=4 2143 B14R1.13 CCC(=O)COCc1ccc(cc1)F 34a_100000725409_100000198546 [0,1,0,0,1,0|1,0,1]=4 2144 B14R1.13 CCC(=O)COCc1ccc(cc1)F 7a_100000210977_100000747405 [0,1,0,0,1,0|1,0,1]=4 2145 B14R1.13 CCC(=O)COCc1ccc(cc1)I 34a_100000725409_100000189116 [0,1,0,0,1,0|1,0,1]=4 2146 B14R1.13 CCC(=O)COCc1ccc(cc1)I 7a_100000690907_100000747405 [0,1,0,0,1,0|1,0,1]=4 2147 B14R1.13 CCC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_100000210202 [0,1,0,0,1,0|1,0,1]=4 2148 B14R1.13 CCC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747405 [0,1,0,0,1,0|1,0,1]=4 2149 B14R1.13 CCC(=O)CSCc1ccc(cc1)Br 62a_100000747405_100000189115 [0,1,0,0,1,0|1,0,1]=4 2150 B14R1.13 CCC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000747405 [0,1,0,0,1,0|1,0,1]=4 2151 B14R1.13 CCC(=O)CSCc1ccc(cc1)C 62a_100000747405_100000210814 [0,1,0,0,1,0|1,0,1]=4 2152 B14R1.13 CCC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_100000210202 [0,1,0,0,1,0|1,0,1]=4 2153 B14R1.13 CCC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747405 [0,1,0,0,1,0|1,0,1]=4 2154 B14R1.13 CCC(=O)CSCc1ccc(cc1)Cl 62a_100000747405_100000187161 [0,1,0,0,1,0|1,0,1]=4 2155 B14R1.13 CCC(=O)CSCc1ccc(cc1)F 1458a_100000150272_100000210202 [0,1,0,0,1,0|1,0,1]=4 2156 B14R1.13 CCC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747405 [0,1,0,0,1,0|1,0,1]=4 2157 B14R1.13 CCC(=O)CSCc1ccc(cc1)F 62a_100000747405_100000187164 [0,1,0,0,1,0|1,0,1]=4 2158 B14R1.13 CCC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747405 [0,1,0,0,1,0|1,0,1]=4 2159 B14R1.13 CCC(=O)CSCc1ccc(cc1)I 62a_100000747405_100000189116 [0,1,0,0,1,0|1,0,1]=4 2160 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100000210414 [0,1,0,0,1,0|1,0,1]=4 2161 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100000210414 [0,1,0,0,1,0|1,0,1]=4 2162 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100000210414 [0,1,0,0,1,0|1,0,1]=4 2163 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100000210414 [0,1,0,0,1,0|1,0,1]=4 2164 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 11a_100000705350_100000210414 [0,1,0,0,1,0|1,0,1]=4 2165 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100000210414 [0,1,0,0,1,0|1,0,1]=4 2166 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100000210414 [0,1,0,0,1,0|1,0,1]=4 2167 B14R1.13 CCC(=O)NCCc1ccc(cc1)C 527a_100000705350_100000210414 [0,1,0,0,1,0|1,0,1]=4 2168 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100000210414 [0,1,0,0,1,0|1,0,1]=4 2169 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100000210414 [0,1,0,0,1,0|1,0,1]=4 2170 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100000210414 [0,1,0,0,1,0|1,0,1]=4 2171 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100000210414 [0,1,0,0,1,0|1,0,1]=4 2172 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 11a_100000199005_100000210414 [0,1,0,0,1,0|1,0,1]=4 2173 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100000210414 [0,1,0,0,1,0|1,0,1]=4 2174 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100000210414 [0,1,0,0,1,0|1,0,1]=4 2175 B14R1.13 CCC(=O)NCCc1ccc(cc1)F 527a_100000199005_100000210414 [0,1,0,0,1,0|1,0,1]=4 2176 B14R1.13 CCC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100000210414 [0,1,0,0,1,0|1,0,1]=4 2177 B14R1.13 CCC(=O)NCCc1ccc(cc1)O 527a_100000743037_100000210414 [0,1,0,0,1,0|1,0,1]=4 2178 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)Br 4a_100000183195_100000186029 [0,1,0,0,1,0|2,0,0]=4 2179 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)C 4a_100000183195_100000211033 [0,1,0,0,1,0|2,0,0]=4 2180 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)Cl 4a_100000183195_100000189385 [0,1,0,0,1,0|2,0,0]=4 2181 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)F 4a_100000183195_100000210084 [0,1,0,0,1,0|2,0,0]=4 2182 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)I 4a_100000183195_100000188517 [0,1,0,0,1,0|2,0,0]=4 2183 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)O 4a_100000183195_100000185832 [0,1,0,0,1,0|2,0,0]=4 2184 B14R1.13 COC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000139417 [0,1,0,0,1,0|2,0,0]=4 2185 B14R1.13 COC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000139417 [0,1,0,0,1,0|2,0,0]=4 2186 B14R1.13 COC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000139417 [0,1,0,0,1,0|2,0,0]=4 2187 B14R1.13 COC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000139417 [0,1,0,0,1,0|2,0,0]=4 2188 B14R1.13 COC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000139417 [0,1,0,0,1,0|2,0,0]=4 2189 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,1,0,0,1,0|0,0,1]=3 2190 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,1,0,0,1,0|0,0,2]=4 2191 B14R1.163 CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210202 [0,1,0,0,1,0|1,0,0]=3 2192 B14R1.163 CCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210202 [0,1,0,0,1,0|2,0,0]=4 2193 B14R1.163 CCC(=O)COC(=O)c1ccccc1 1458a_100000210414_100000073877 [0,1,0,0,1,0|1,0,0]=3 2194 B14R1.163 CCC(=O)COC(C)c1ccccc1 34a_100000725409_100000211855 [0,1,0,0,1,0|1,0,1]=4 2195 B14R1.163 CCC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747405 [0,1,0,0,1,0|1,0,1]=4 2196 B14R1.163 CCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210202 [0,1,0,0,1,0|1,0,0]=3 2197 B14R1.163 CCC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747405 [0,1,0,0,1,0|1,0,1]=4 2198 B14R1.163 CCC(=O)CSC(C)c1ccccc1 62a_100000747405_100000230085 [0,1,0,0,1,0|1,0,1]=4 2199 B14R1.163 CCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000210414 [0,1,0,0,1,0|1,0,1]=4 2200 B14R1.163 CCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000210414 [0,1,0,0,1,0|1,0,1]=4 2201 B14R1.163 CCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000210414 [0,1,0,0,1,0|1,0,1]=4 2202 B14R1.163 CCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000210414 [0,1,0,0,1,0|1,0,1]=4 2203 B14R1.163 CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210414 [0,1,0,0,1,0|1,0,1]=4 2204 B14R1.163 CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210414 [0,1,0,0,1,0|1,0,1]=4 2205 B14R1.163 CCC(=O)NN=C(C)c1ccccc1 4a_100000183195_100000185851 [0,1,0,0,1,0|2,0,0]=4 2206 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000183195_100000185807 [0,1,0,0,1,0|2,0,0]=4 2207 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210414 [0,1,0,0,1,0|2,0,0]=4 2208 B14R1.163 CCC(C)OCC(=O)c1ccccc1 7a_100000210228_100000211460 [0,1,0,0,1,0|1,0,1]=4 2209 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_100000693194_100000185807 [0,1,0,0,1,0|2,0,0]=4 2210 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_106832991635_100000182045 [0,1,0,0,1,0|2,0,0]=4 2211 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 1626a_100102657272_100000182045 [0,1,0,0,1,0|2,0,0]=4 2212 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100000693194_100000185807 [0,1,0,0,1,0|2,0,0]=4 2213 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100102657272_100000182045 [0,1,0,0,1,0|2,0,0]=4 2214 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100000693194_100000185807 [0,1,0,0,1,0|2,0,0]=4 2215 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100102657272_100000182045 [0,1,0,0,1,0|2,0,0]=4 2216 B14R1.163 CNC(=O)CSC(=S)c1ccccc1 1626a_100102657272_100000043459 [0,1,0,0,1,0|2,0,0]=4 2217 B14R1.163 CNC(=O)CSC(=S)c1ccccc1 240690a_100102657272_100000043459 [0,1,0,0,1,0|2,0,0]=4 2218 B14R1.163 CNC(=O)CSC(=S)c1ccccc1 527a_100102657272_100000043459 [0,1,0,0,1,0|2,0,0]=4 2219 B14R1.163 COC(=O)CNC(=O)c1ccccc1 188690a_100000185156_100000185807 [0,1,0,0,1,0|2,0,0]=4 2220 B14R1.163 O=C(CF)CNC(=O)c1ccccc1 1458a_100000182045_100015361967 [0,1,0,0,1,0|2,0,0]=4 2221 B14R1.163 O=C(CF)CSC(=S)c1ccccc1 1458a_100000043459_100015361967 [0,1,0,0,1,0|2,0,0]=4 2222 B14R1.163 O=C(CO)CCC(=O)c1ccccc1 1458a_100000210174_100000750707 [0,1,0,0,1,0|1,0,1]=4 2223 B14R1.163 O=C(CO)COC(=O)c1ccccc1 1458a_100000210174_100000073877 [0,1,0,0,1,0|2,0,0]=4 2224 B14R1.546 CCN(CC)C/C=C/c1ccccc1 2230a_100000724800_100016265936 [0,1,0,0,1,0|2,0,0]=4 2225 B14R1.546 CCN(CC)C/C=C/c1ccccc1 2230a_100020603567_100000210202 [0,1,0,0,1,0|2,0,0]=4 2226 B14R1.546 CCN(CC)C/C=C/c1ccccc1 269956a_100000042499_100016265936 [0,1,0,0,1,0|2,0,0]=4 2227 B14R1.546 CCN(CC)C/C=C/c1ccccc1 269982a_100000724800_100016265936 [0,1,0,0,1,0|2,0,0]=4 2228 B14R1.546 CCN(CC)C/C=C/c1ccccc1 269982a_100020603567_100000204670 [0,1,0,0,1,0|2,0,0]=4 2229 B14R1.546 CCN(CC)CC=Cc1ccccc1 270004a_100000724800_100000210105 [0,1,0,0,1,0|2,0,0]=4 2230 B14R1.546 CCN(CF)C/C=C/c1ccccc1 269982a_100020603567_100015361967 [0,1,0,0,1,0|2,0,0]=4 2231 B14R1.743 CCC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747405 [0,1,0,0,1,0|1,0,1]=4 2232 B14R1.743 CCC(=O)CC(=O)Cc1ccccc1 1458a_100000210414_100000233483 [0,1,0,0,1,0|0,0,1]=3 2233 B14R1.743 CCC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747405 [0,1,0,0,1,0|1,0,1]=4 2234 B14R1.743 CCC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747405 [0,1,0,0,1,0|1,0,1]=4 2235 B14R1.743 CCC(=O)CC(=O)Nc1ccccc1 1458a_100000210414_100000182850 [0,1,0,0,1,0|1,0,0]=3 2236 B14R1.743 CCC(=O)CC(=O)Nc1ccccn1 1458a_100000210414_100020662008 [0,1,0,0,1,0|2,0,0]=4 2237 B14R1.743 CCC(=O)CC(=O)Nc1ccncc1 1458a_100000210414_100000754145 [0,1,0,0,1,0|2,0,0]=4 2238 B14R1.743 CCC(=O)CC(=O)Oc1ccccc1 1458a_100000210414_100009813826 [0,1,0,0,1,0|1,0,0]=3 2239 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000210202 [0,1,0,0,1,0|1,0,1]=4 2240 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747405 [0,1,0,0,1,0|1,0,1]=4 2241 B14R1.743 CNC(=O)CC(=O)Oc1ccccc1 240690a_100102657272_200000075362 [0,1,0,0,1,0|2,0,0]=4 2242 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1458a_100000211351_100015291786 [0,1,0,0,1,0|1,0,1]=4 2243 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000211351 [0,1,0,0,1,0|2,0,0]=4 2244 B14R1.743 O=C(CO)CC(=O)Cc1ccccc1 1458a_100000210174_100000233483 [0,1,0,0,1,0|1,0,1]=4 2245 B14R1.743 O=C(CO)CC(=O)Nc1ccccc1 1458a_100000210174_100000182850 [0,1,0,0,1,0|2,0,0]=4 2246 B14R1.743 O=C(CO)CC(=O)Oc1ccccc1 1458a_100000210174_100009813826 [0,1,0,0,1,0|2,0,0]=4 2247 B14R1.756 CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000210202 [0,1,0,0,1,0|0,0,2]=4 2248 B14R1.756 CCC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000742827 [0,1,0,0,1,0|1,0,1]=4 2249 B14R1.756 CCC(=O)C(C)OCc1ccccc1 7a_100000210790_100000742827 [0,1,0,0,1,0|1,0,1]=4 2250 B14R1.756 CCC(=O)C(C)SCc1ccccc1 1458a_100000149570_100000210202 [0,1,0,0,1,0|1,0,1]=4 2251 B14R1.756 CCC(=O)C(C)SCc1ccccc1 62a_100000211182_100000742827 [0,1,0,0,1,0|1,0,1]=4 2252 B14R1.756 CCC(=O)C(C)SCc1ccccc1 62a_100000742827_100015291786 [0,1,0,0,1,0|1,0,1]=4 2253 B14R1.756 CCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000210202 [0,1,0,0,1,0|0,0,2]=4 2254 B14R1.756 CCC(=O)N(C)CCc1ccccc1 11a_100000207497_100000210414 [0,1,0,0,1,0|1,0,1]=4 2255 B14R1.756 CCC(=O)N(C)CCc1ccccc1 1626a_100000207497_100000210414 [0,1,0,0,1,0|1,0,1]=4 2256 B14R1.756 CCC(=O)N(C)CCc1ccccc1 240690a_100000207497_100000210414 [0,1,0,0,1,0|1,0,1]=4 2257 B14R1.756 CCC(=O)N(C)CCc1ccccc1 527a_100000207497_100000210414 [0,1,0,0,1,0|1,0,1]=4 2258 B14R1.756 CCC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_100000210202 [0,1,0,0,1,0|1,0,1]=4 2259 B14R1.837 CCC(=O)CC#Cc1ccccc1Br 1458a_100000210414_100010706765 [0,1,0,0,1,0|0,0,2]=4 2260 B14R1.837 CCC(=O)CC#Cc1ccccc1F 1458a_100000210414_100010404167 [0,1,0,0,1,0|0,0,2]=4 2261 B14R1.837 CCC(=O)CCCc1ccccc1Br 1458a_100000210414_200011713681 [0,1,0,0,1,0|0,0,2]=4 2262 B14R1.837 CCC(=O)CCCc1ccccc1Cl 1458a_100000700343_100000210202 [0,1,0,0,1,0|0,0,2]=4 2263 B14R1.837 CCC(=O)CCCc1ccccc1O 1458a_100009859317_100000210202 [0,1,0,0,1,0|0,0,2]=4 2264 B14R1.837 CCC(=O)CCOc1ccccc1Br 1458a_100000210414_100000695877 [0,1,0,0,1,0|1,0,1]=4 2265 B14R1.837 CCC(=O)CCOc1ccccc1Br 1458a_100000740817_100000210202 [0,1,0,0,1,0|1,0,1]=4 2266 B14R1.837 CCC(=O)CCOc1ccccc1C 1458a_100000182324_100000210202 [0,1,0,0,1,0|1,0,1]=4 2267 B14R1.837 CCC(=O)CCOc1ccccc1C 1458a_100000210414_100000184434 [0,1,0,0,1,0|1,0,1]=4 2268 B14R1.837 CCC(=O)CCOc1ccccc1Cl 1458a_100000240438_100000210202 [0,1,0,0,1,0|1,0,1]=4 2269 B14R1.837 CCC(=O)CCOc1ccccc1F 1458a_100000184057_100000210202 [0,1,0,0,1,0|1,0,1]=4 2270 B14R1.837 CCC(=O)CCOc1ccccc1F 1458a_100000210414_100000183290 [0,1,0,0,1,0|1,0,1]=4 2271 B14R1.837 CCC(=O)CCSc1ccccc1F 1458a_100000208832_100000210202 [0,1,0,0,1,0|1,0,1]=4 2272 B14R1.837 CCC(=O)COCc1ccccc1Br 34a_100000725409_100000184730 [0,1,0,0,1,0|1,0,1]=4 2273 B14R1.837 CCC(=O)COCc1ccccc1Br 7a_100000756307_100000747405 [0,1,0,0,1,0|1,0,1]=4 2274 B14R1.837 CCC(=O)COCc1ccccc1C 34a_100000725409_100000211839 [0,1,0,0,1,0|1,0,1]=4 2275 B14R1.837 CCC(=O)COCc1ccccc1C 7a_100000698903_100000747405 [0,1,0,0,1,0|1,0,1]=4 2276 B14R1.837 CCC(=O)COCc1ccccc1Cl 34a_100000725409_100000187162 [0,1,0,0,1,0|1,0,1]=4 2277 B14R1.837 CCC(=O)COCc1ccccc1Cl 7a_100000210847_100000747405 [0,1,0,0,1,0|1,0,1]=4 2278 B14R1.837 CCC(=O)COCc1ccccc1F 34a_100000725409_100000211605 [0,1,0,0,1,0|1,0,1]=4 2279 B14R1.837 CCC(=O)COCc1ccccc1F 7a_100000211962_100000747405 [0,1,0,0,1,0|1,0,1]=4 2280 B14R1.837 CCC(=O)COCc1ccccc1I 34a_100000725409_100011215278 [0,1,0,0,1,0|1,0,1]=4 2281 B14R1.837 CCC(=O)COCc1ccccc1I 7a_100000187465_100000747405 [0,1,0,0,1,0|1,0,1]=4 2282 B14R1.837 CCC(=O)CSCc1ccccc1Br 62a_100000184730_100000747405 [0,1,0,0,1,0|1,0,1]=4 2283 B14R1.837 CCC(=O)CSCc1ccccc1Br 62a_100000747405_100000184730 [0,1,0,0,1,0|1,0,1]=4 2284 B14R1.837 CCC(=O)CSCc1ccccc1C 1458a_100000150258_100000210202 [0,1,0,0,1,0|1,0,1]=4 2285 B14R1.837 CCC(=O)CSCc1ccccc1C 62a_100000211839_100000747405 [0,1,0,0,1,0|1,0,1]=4 2286 B14R1.837 CCC(=O)CSCc1ccccc1C 62a_100000747405_100000211839 [0,1,0,0,1,0|1,0,1]=4 2287 B14R1.837 CCC(=O)CSCc1ccccc1Cl 1458a_100000150270_100000210202 [0,1,0,0,1,0|1,0,1]=4 2288 B14R1.837 CCC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747405 [0,1,0,0,1,0|1,0,1]=4 2289 B14R1.837 CCC(=O)CSCc1ccccc1Cl 62a_100000747405_100000187162 [0,1,0,0,1,0|1,0,1]=4 2290 B14R1.837 CCC(=O)CSCc1ccccc1F 1458a_100000150260_100000210202 [0,1,0,0,1,0|1,0,1]=4 2291 B14R1.837 CCC(=O)CSCc1ccccc1F 62a_100000211605_100000747405 [0,1,0,0,1,0|1,0,1]=4 2292 B14R1.837 CCC(=O)CSCc1ccccc1F 62a_100000747405_100000211605 [0,1,0,0,1,0|1,0,1]=4 2293 B14R1.837 CCC(=O)CSCc1ccccc1I 62a_100000747405_100011216222 [0,1,0,0,1,0|1,0,1]=4 2294 B14R1.837 CCC(=O)CSCc1ccccc1I 62a_100011216222_100000747405 [0,1,0,0,1,0|1,0,1]=4 2295 B14R1.837 CCC(=O)NCCc1ccccc1Br 11a_100000747383_100000210414 [0,1,0,0,1,0|1,0,1]=4 2296 B14R1.837 CCC(=O)NCCc1ccccc1Br 1626a_100000747383_100000210414 [0,1,0,0,1,0|1,0,1]=4 2297 B14R1.837 CCC(=O)NCCc1ccccc1Br 240690a_100000747383_100000210414 [0,1,0,0,1,0|1,0,1]=4 2298 B14R1.837 CCC(=O)NCCc1ccccc1Br 527a_100000747383_100000210414 [0,1,0,0,1,0|1,0,1]=4 2299 B14R1.837 CCC(=O)NCCc1ccccc1C 11a_100000685071_100000210414 [0,1,0,0,1,0|1,0,1]=4 2300 B14R1.837 CCC(=O)NCCc1ccccc1C 1626a_100000685071_100000210414 [0,1,0,0,1,0|1,0,1]=4 2301 B14R1.837 CCC(=O)NCCc1ccccc1C 240690a_100000685071_100000210414 [0,1,0,0,1,0|1,0,1]=4 2302 B14R1.837 CCC(=O)NCCc1ccccc1C 527a_100000685071_100000210414 [0,1,0,0,1,0|1,0,1]=4 2303 B14R1.837 CCC(=O)NCCc1ccccc1Cl 11a_100011207228_100000210414 [0,1,0,0,1,0|1,0,1]=4 2304 B14R1.837 CCC(=O)NCCc1ccccc1Cl 1626a_100011207228_100000210414 [0,1,0,0,1,0|1,0,1]=4 2305 B14R1.837 CCC(=O)NCCc1ccccc1Cl 240690a_100011207228_100000210414 [0,1,0,0,1,0|1,0,1]=4 2306 B14R1.837 CCC(=O)NCCc1ccccc1Cl 527a_100011207228_100000210414 [0,1,0,0,1,0|1,0,1]=4 2307 B14R1.837 CCC(=O)NCCc1ccccc1F 11a_100000185272_100000210414 [0,1,0,0,1,0|1,0,1]=4 2308 B14R1.837 CCC(=O)NCCc1ccccc1F 1626a_100000185272_100000210414 [0,1,0,0,1,0|1,0,1]=4 2309 B14R1.837 CCC(=O)NCCc1ccccc1F 240690a_100000185272_100000210414 [0,1,0,0,1,0|1,0,1]=4 2310 B14R1.837 CCC(=O)NCCc1ccccc1F 527a_100000185272_100000210414 [0,1,0,0,1,0|1,0,1]=4 2311 B14R1.837 CCC(=O)NCCc1ccccc1O 240690a_100011207237_100000210414 [0,1,0,0,1,0|1,0,1]=4 2312 B14R1.837 CCC(=O)NCCc1ccccc1O 527a_100011207237_100000210414 [0,1,0,0,1,0|1,0,1]=4 2313 B14R1.837 CCC(=O)NN=Cc1ccccc1Br 4a_100000183195_100000211189 [0,1,0,0,1,0|2,0,0]=4 2314 B14R1.837 CCC(=O)NN=Cc1ccccc1C 4a_100000183195_100000211143 [0,1,0,0,1,0|2,0,0]=4 2315 B14R1.837 CCC(=O)NN=Cc1ccccc1Cl 4a_100000183195_100000210073 [0,1,0,0,1,0|2,0,0]=4 2316 B14R1.837 CCC(=O)NN=Cc1ccccc1F 4a_100000183195_100000210811 [0,1,0,0,1,0|2,0,0]=4 2317 B14R1.837 CCC(=O)NN=Cc1ccccc1I 4a_100000183195_100000010305 [0,1,0,0,1,0|2,0,0]=4 2318 B14R1.837 CCC(=O)NN=Cc1ccccc1O 4a_100000183195_100000185834 [0,1,0,0,1,0|2,0,0]=4 2319 B14R1.837 COC(=O)OCSc1ccccc1Br 62a_100000695589_100000139417 [0,1,0,0,1,0|2,0,0]=4 2320 B14R1.837 COC(=O)OCSc1ccccc1C 62a_100000210755_100000139417 [0,1,0,0,1,0|2,0,0]=4 2321 B14R1.837 COC(=O)OCSc1ccccc1Cl 62a_100000764095_100000139417 [0,1,0,0,1,0|2,0,0]=4 2322 B14R1.837 COC(=O)OCSc1ccccc1F 62a_100011215700_100000139417 [0,1,0,0,1,0|2,0,0]=4 2323 B14R1.837 COC(=O)OCSc1ccccc1N 62a_100000210017_100000139417 [0,1,0,0,1,0|2,0,0]=4 2324 B14R1.837 COC(=O)OCSc1ccccc1O 62a_100000739446_100000139417 [0,1,0,0,1,0|2,0,0]=4 2325 B14R1.1025 CCC(=O)CC#Cc1cccc(c1)Br 1458a_100000210414_100010706776 [0,1,0,0,1,0|0,0,2]=4 2326 B14R1.1025 CCC(=O)CC#Cc1cccc(c1)F 1458a_100000210414_100010402994 [0,1,0,0,1,0|0,0,2]=4 2327 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000210414_100011713683 [0,1,0,0,1,0|0,0,2]=4 2328 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000685939_100000210202 [0,1,0,0,1,0|0,0,2]=4 2329 B14R1.1025 CCC(=O)CCCc1cccc(c1)F 1458a_100000210414_200000698031 [0,1,0,0,1,0|0,0,2]=4 2330 B14R1.1025 CCC(=O)CCOc1cccc(c1)Br 1458a_100000183437_100000210202 [0,1,0,0,1,0|1,0,1]=4 2331 B14R1.1025 CCC(=O)CCOc1cccc(c1)Br 1458a_100000210414_100000183150 [0,1,0,0,1,0|1,0,1]=4 2332 B14R1.1025 CCC(=O)CCOc1cccc(c1)C 1458a_100000182325_100000210202 [0,1,0,0,1,0|1,0,1]=4 2333 B14R1.1025 CCC(=O)CCOc1cccc(c1)Cl 1458a_100000210414_100000181161 [0,1,0,0,1,0|1,0,1]=4 2334 B14R1.1025 CCC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_100000210202 [0,1,0,0,1,0|1,0,1]=4 2335 B14R1.1025 CCC(=O)CCOc1cccc(c1)F 1458a_100000210414_100000739188 [0,1,0,0,1,0|1,0,1]=4 2336 B14R1.1025 CCC(=O)CCOc1cccc(c1)F 1458a_100000737089_100000210202 [0,1,0,0,1,0|1,0,1]=4 2337 B14R1.1025 CCC(=O)COCc1cccc(c1)Br 34a_100000725409_100000698116 [0,1,0,0,1,0|1,0,1]=4 2338 B14R1.1025 CCC(=O)COCc1cccc(c1)Br 7a_100000687537_100000747405 [0,1,0,0,1,0|1,0,1]=4 2339 B14R1.1025 CCC(=O)COCc1cccc(c1)C 34a_100000725409_100000211840 [0,1,0,0,1,0|1,0,1]=4 2340 B14R1.1025 CCC(=O)COCc1cccc(c1)C 7a_100011217746_100000747405 [0,1,0,0,1,0|1,0,1]=4 2341 B14R1.1025 CCC(=O)COCc1cccc(c1)Cl 34a_100000725409_100000187163 [0,1,0,0,1,0|1,0,1]=4 2342 B14R1.1025 CCC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000747405 [0,1,0,0,1,0|1,0,1]=4 2343 B14R1.1025 CCC(=O)COCc1cccc(c1)F 34a_100000725409_100000187166 [0,1,0,0,1,0|1,0,1]=4 2344 B14R1.1025 CCC(=O)COCc1cccc(c1)F 7a_100000210976_100000747405 [0,1,0,0,1,0|1,0,1]=4 2345 B14R1.1025 CCC(=O)COCc1cccc(c1)I 34a_100000725409_100011218688 [0,1,0,0,1,0|1,0,1]=4 2346 B14R1.1025 CCC(=O)COCc1cccc(c1)I 7a_100011215336_100000747405 [0,1,0,0,1,0|1,0,1]=4 2347 B14R1.1025 CCC(=O)COCc1cccc(c1)O 34a_100000725409_100011660834 [0,1,0,0,1,0|1,0,1]=4 2348 B14R1.1025 CCC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747405 [0,1,0,0,1,0|1,0,1]=4 2349 B14R1.1025 CCC(=O)CSCc1cccc(c1)Br 62a_100000747405_100000211773 [0,1,0,0,1,0|1,0,1]=4 2350 B14R1.1025 CCC(=O)CSCc1cccc(c1)C 62a_100000211840_100000747405 [0,1,0,0,1,0|1,0,1]=4 2351 B14R1.1025 CCC(=O)CSCc1cccc(c1)C 62a_100000747405_100000211840 [0,1,0,0,1,0|1,0,1]=4 2352 B14R1.1025 CCC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_100000210202 [0,1,0,0,1,0|1,0,1]=4 2353 B14R1.1025 CCC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747405 [0,1,0,0,1,0|1,0,1]=4 2354 B14R1.1025 CCC(=O)CSCc1cccc(c1)Cl 62a_100000747405_100000187163 [0,1,0,0,1,0|1,0,1]=4 2355 B14R1.1025 CCC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747405 [0,1,0,0,1,0|1,0,1]=4 2356 B14R1.1025 CCC(=O)CSCc1cccc(c1)F 62a_100000747405_100000230114 [0,1,0,0,1,0|1,0,1]=4 2357 B14R1.1025 CCC(=O)CSCc1cccc(c1)I 62a_100000747405_100011218688 [0,1,0,0,1,0|1,0,1]=4 2358 B14R1.1025 CCC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747405 [0,1,0,0,1,0|1,0,1]=4 2359 B14R1.1025 CCC(=O)CSCc1cccc(c1)O 62a_100000747405_100011660834 [0,1,0,0,1,0|1,0,1]=4 2360 B14R1.1025 CCC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747405 [0,1,0,0,1,0|1,0,1]=4 2361 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 11a_100011207229_100000210414 [0,1,0,0,1,0|1,0,1]=4 2362 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100000210414 [0,1,0,0,1,0|1,0,1]=4 2363 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100000210414 [0,1,0,0,1,0|1,0,1]=4 2364 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br 527a_100011207229_100000210414 [0,1,0,0,1,0|1,0,1]=4 2365 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 11a_100000749837_100000210414 [0,1,0,0,1,0|1,0,1]=4 2366 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 1626a_100000749837_100000210414 [0,1,0,0,1,0|1,0,1]=4 2367 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 240690a_100000749837_100000210414 [0,1,0,0,1,0|1,0,1]=4 2368 B14R1.1025 CCC(=O)NCCc1cccc(c1)C 527a_100000749837_100000210414 [0,1,0,0,1,0|1,0,1]=4 2369 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100000210414 [0,1,0,0,1,0|1,0,1]=4 2370 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100000210414 [0,1,0,0,1,0|1,0,1]=4 2371 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100000210414 [0,1,0,0,1,0|1,0,1]=4 2372 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100000210414 [0,1,0,0,1,0|1,0,1]=4 2373 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 11a_100000205154_100000210414 [0,1,0,0,1,0|1,0,1]=4 2374 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 1626a_100000205154_100000210414 [0,1,0,0,1,0|1,0,1]=4 2375 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 240690a_100000205154_100000210414 [0,1,0,0,1,0|1,0,1]=4 2376 B14R1.1025 CCC(=O)NCCc1cccc(c1)F 527a_100000205154_100000210414 [0,1,0,0,1,0|1,0,1]=4 2377 B14R1.1025 CCC(=O)NCCc1cccc(c1)O 240690a_100000747277_100000210414 [0,1,0,0,1,0|1,0,1]=4 2378 B14R1.1025 CCC(=O)NCCc1cccc(c1)O 527a_100000747277_100000210414 [0,1,0,0,1,0|1,0,1]=4 2379 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)Br 4a_100000183195_100000210085 [0,1,0,0,1,0|2,0,0]=4 2380 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)C 4a_100000183195_100000211157 [0,1,0,0,1,0|2,0,0]=4 2381 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)Cl 4a_100000183195_100000210801 [0,1,0,0,1,0|2,0,0]=4 2382 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)F 4a_100000183195_100000210812 [0,1,0,0,1,0|2,0,0]=4 2383 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)I 4a_100000183195_100000014684 [0,1,0,0,1,0|2,0,0]=4 2384 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)O 4a_100000183195_100000188321 [0,1,0,0,1,0|2,0,0]=4 2385 B14R1.1025 COC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000139417 [0,1,0,0,1,0|2,0,0]=4 2386 B14R1.1025 COC(=O)OCSc1cccc(c1)C 62a_100011215228_100000139417 [0,1,0,0,1,0|2,0,0]=4 2387 B14R1.1025 COC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000139417 [0,1,0,0,1,0|2,0,0]=4 2388 B14R1.1025 COC(=O)OCSc1cccc(c1)F 62a_100000685547_100000139417 [0,1,0,0,1,0|2,0,0]=4 2389 B14R1.1025 COC(=O)OCSc1cccc(c1)N 62a_100000210019_100000139417 [0,1,0,0,1,0|2,0,0]=4 2390 B14R1.1025 COC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000139417 [0,1,0,0,1,0|2,0,0]=4 2391 B16R1.7 CCC(=O)COCC#Cc1ccc(cc1)Br 34a_100000725409_100010706785 [0,1,0,0,0,1|0,0,2]=4 2392 B16R1.7 CCC(=O)COCC#Cc1ccc(cc1)Br 7a_100009814260_100000747405 [0,1,0,0,0,1|0,0,2]=4 2393 B16R1.7 CCC(=O)COCC#Cc1ccc(cc1)C 7a_100000696136_100000747405 [0,1,0,0,0,1|0,0,2]=4 2394 B16R1.7 CCC(=O)COCC#Cc1ccc(cc1)F 34a_100000725409_100010402171 [0,1,0,0,0,1|0,0,2]=4 2395 B16R1.7 CCC(=O)COCC#Cc1ccc(cc1)F 7a_100011219116_100000747405 [0,1,0,0,0,1|0,0,2]=4 2396 B16R1.7 CCC(=O)COCCCc1ccc(cc1)Br 34a_100000725409_100011713682 [0,1,0,0,0,1|0,0,2]=4 2397 B16R1.7 CCC(=O)COCCCc1ccc(cc1)Br 7a_100011709247_100000747405 [0,1,0,0,0,1|0,0,2]=4 2398 B16R1.7 CCC(=O)COCCCc1ccc(cc1)C 7a_100000189427_100000747405 [0,1,0,0,0,1|0,0,2]=4 2399 B16R1.7 CCC(=O)COCCCc1ccc(cc1)Cl 34a_100000725409_100000759440 [0,1,0,0,0,1|0,0,2]=4 2400 B16R1.7 CCC(=O)COCCCc1ccc(cc1)Cl 7a_100011217485_100000747405 [0,1,0,0,0,1|0,0,2]=4 2401 B16R1.7 CCC(=O)COCCCc1ccc(cc1)F 34a_100000725409_200011713563 [0,1,0,0,0,1|0,0,2]=4 2402 B16R1.7 CCC(=O)COCCCc1ccc(cc1)F 7a_100000757351_100000747405 [0,1,0,0,0,1|0,0,2]=4 2403 B16R1.7 CCC(=O)COCCOc1ccc(cc1)Br 34a_100000725409_100000183278 [0,1,0,0,0,1|1,0,1]=4 2404 B16R1.7 CCC(=O)COCCOc1ccc(cc1)Br 7a_100000686261_100000747405 [0,1,0,0,0,1|1,0,1]=4 2405 B16R1.7 CCC(=O)COCCOc1ccc(cc1)C 34a_100000725409_100000183172 [0,1,0,0,0,1|1,0,1]=4 2406 B16R1.7 CCC(=O)COCCOc1ccc(cc1)C 7a_100011219107_100000747405 [0,1,0,0,0,1|1,0,1]=4 2407 B16R1.7 CCC(=O)COCCOc1ccc(cc1)Cl 34a_100000725409_100000184122 [0,1,0,0,0,1|1,0,1]=4 2408 B16R1.7 CCC(=O)COCCOc1ccc(cc1)Cl 7a_100000237962_100000747405 [0,1,0,0,0,1|1,0,1]=4 2409 B16R1.7 CCC(=O)COCCOc1ccc(cc1)F 34a_100000725409_100000184936 [0,1,0,0,0,1|1,0,1]=4 2410 B16R1.7 CCC(=O)COCCSc1ccc(cc1)C 7a_200000230582_100000747405 [0,1,0,0,0,1|1,0,1]=4 2411 B16R1.7 CCC(=O)COCCSc1ccc(cc1)Cl 7a_100000230527_100000747405 [0,1,0,0,0,1|1,0,1]=4 2412 B16R1.7 CCC(=O)COCCSc1ccc(cc1)F 7a_200000230679_100000747405 [0,1,0,0,0,1|1,0,1]=4 2413 B16R1.7 CCC(=O)NN=CC=Cc1ccc(cc1)Br 4a_100000183195_100016291818 [0,1,0,0,0,1|1,0,1]=4 2414 B16R1.7 CCC(=O)NN=CC=Cc1ccc(cc1)C 4a_100000183195_100016257026 [0,1,0,0,0,1|1,0,1]=4 2415 B16R1.7 CCC(=O)NN=CC=Cc1ccc(cc1)Cl 4a_100000183195_100102525842 [0,1,0,0,0,1|1,0,1]=4 2416 B16R1.7 CCC(=O)NN=CC=Cc1ccc(cc1)F 4a_100000183195_100016272083 [0,1,0,0,0,1|1,0,1]=4 2417 B16R1.7 CCC(=O)NN=CC=Cc1ccc(cc1)O 4a_100000183195_200011996185 [0,1,0,0,0,1|1,0,1]=4 2418 B16R1.7 CCC(=O)OCCOCc1ccc(cc1)Br 7a_200000031056_100011217064 [0,1,0,0,0,1|0,0,2]=4 2419 B16R1.7 CCC(=O)OCCOCc1ccc(cc1)C 7a_200000031056_100000210814 [0,1,0,0,0,1|0,0,2]=4 2420 B16R1.7 CCC(=O)OCCOCc1ccc(cc1)Cl 7a_200000031056_100000187161 [0,1,0,0,0,1|0,0,2]=4 2421 B16R1.7 CCC(=O)OCCOCc1ccc(cc1)F 7a_200000031056_100000198546 [0,1,0,0,0,1|0,0,2]=4 2422 B16R1.7 CCC(=O)OCCOCc1ccc(cc1)I 7a_200000031056_100000189116 [0,1,0,0,0,1|0,0,2]=4 2423 B16R1.7 CNC(=O)CNCC=Cc1ccc(cc1)Br 270004a_100000693194_100016291818 [0,1,0,0,0,1|2,0,0]=4 2424 B16R1.7 CNC(=O)CNCC=Cc1ccc(cc1)C 270004a_100000693194_100016257026 [0,1,0,0,0,1|2,0,0]=4 2425 B16R1.7 CNC(=O)CNCC=Cc1ccc(cc1)Cl 270004a_100000693194_100102525842 [0,1,0,0,0,1|2,0,0]=4 2426 B16R1.7 CNC(=O)CNCC=Cc1ccc(cc1)F 270004a_100000693194_100016272083 [0,1,0,0,0,1|2,0,0]=4 2427 B16R1.358 CCC(C)(C)COC/C=C/c1ccccc1 7a_100000765029_100016265936 [0,1,0,0,0,1|1,0,1]=4 2428 B16R1.558 CCC(CC)COC/C=C/c1ccccc1 34a_100000210256_100011215472 [0,1,0,0,0,1|1,0,1]=4 2429 B16R1.558 CCC(CC)COC/C=C/c1ccccc1 7a_100000703878_100016265936 [0,1,0,0,0,1|1,0,1]=4 2430 B16R1.558 CCC(COC/C=C/c1ccccc1)OC 34a_100011934954_100016265936 [0,1,0,0,0,1|0,0,2]=4 2431 B16R1.558 CCC(COC/C=C/c1ccccc1)OC 7a_100011934954_100016265936 [0,1,0,0,0,1|0,0,2]=4 2432 B16R1.558 CCN(CC)COC/C=C/c1ccccc1 7a_200015374951_100016265936 [0,1,0,0,0,1|2,0,0]=4 2433 B16R1.849 CCC(=CC(=O)C/C=C/c1ccccc1)C 1458a_100020758463_100016265936 [0,1,0,0,0,1|2,0,0]=4 2434 B16R1.849 CCC(=O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000747405 [0,1,0,0,0,1|1,0,0]=3 2435 B16R1.849 CCC(=O)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000747405 [0,1,0,0,0,1|1,0,1]=4 2436 B16R1.849 CNC(=O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000183359 [0,1,0,0,0,1|2,0,0]=4 2437 B16R1.849 CNC(=O)CN(C)C/C=C/c1ccccc1 2230a_100000189611_100016265936 [0,1,0,0,0,1|2,0,0]=4 2438 B16R1.849 CNC(=O)CN(C)CC=Cc1ccccc1 270004a_100000189611_100000210105 [0,1,0,0,0,1|2,0,0]=4 2439 B16R1.849 COC(=O)CC(=O)C/C=C/c1ccccc1 1458a_100000211351_100016265936 [0,1,0,0,0,1|2,0,0]=4 2440 B16R1.849 COC(=O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000747449 [0,1,0,0,0,1|2,0,0]=4 2441 B16R1.849 COC(=O)CN(C)C/C=C/c1ccccc1 2230a_100000198492_100016265936 [0,1,0,0,0,1|2,0,0]=4 2442 B16R1.849 COC(=O)CN(C)CC=Cc1ccccc1 270004a_100000198492_100000210105 [0,1,0,0,0,1|2,0,0]=4 2443 B16R1.932 C=COC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000036128 [0,1,0,0,0,1|0,0,2]=4 2444 B16R1.932 CC(CCN)COC/C=C/c1ccccc1 34a_106354213184_100016265936 [0,1,0,0,0,1|1,0,1]=4 2445 B16R1.932 CCCC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747444 [0,1,0,0,0,1|1,0,0]=3 2446 B16R1.932 CCCC(=O)COCC#Cc1ccccc1 7a_100011217464_100000747444 [0,1,0,0,0,1|0,0,2]=4 2447 B16R1.932 CCCC(=O)COCCCc1ccccc1 7a_100000210828_100000747444 [0,1,0,0,0,1|0,0,2]=4 2448 B16R1.932 CCCC(=O)COCCOc1ccccc1 7a_100000210260_100000747444 [0,1,0,0,0,1|1,0,1]=4 2449 B16R1.932 CCCC(=O)COCCSc1ccccc1 7a_100000230494_100000747444 [0,1,0,0,0,1|1,0,1]=4 2450 B16R1.932 CCCC(=O)CSC/C=C/c1ccccc1 62a_100000747444_100016265936 [0,1,0,0,0,1|0,1,0]=3 2451 B16R1.932 CCCC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747444 [0,1,0,0,0,1|0,1,0]=3 2452 B16R1.932 CCCC(=O)NN=CC=Cc1ccccc1 4a_100000189770_100000210105 [0,1,0,0,0,1|1,0,1]=4 2453 B16R1.932 CCCC(=O)OCNCCc1ccccc1 2230a_100000106460_100000034017 [0,1,0,0,0,1|0,0,2]=4 2454 B16R1.932 CCCC(=O)OCNCCc1ccccc1 34a_100000106460_100000034017 [0,1,0,0,0,1|0,0,2]=4 2455 B16R1.932 CCCC(=O)OCOCCc1ccccc1 34a_100000210268_100000034017 [0,1,0,0,0,1|0,0,2]=4 2456 B16R1.932 CCCC(=O)OCSCCc1ccccc1 62a_100000765856_100000034017 [0,1,0,0,0,1|0,0,2]=4 2457 B16R1.932 CCCC(=O)OCSCSc1ccccc1 62a_100011218342_100000034017 [0,1,0,0,0,1|1,0,1]=4 2458 B16R1.932 CCCC(C)COC/C=C/c1ccccc1 34a_100000210256_100011216630 [0,1,0,0,0,1|1,0,1]=4 2459 B16R1.932 CCCC(C)COC/C=C/c1ccccc1 34a_100000688023_100016265936 [0,1,0,0,0,1|1,0,1]=4 2460 B16R1.932 CCCC(C)COC/C=C/c1ccccc1 7a_100000688023_100016265936 [0,1,0,0,0,1|1,0,1]=4 2461 B16R1.932 CCC[C@H](N)COC/C=C/c1ccccc1 34a_100000732646_100016265936 [0,1,0,0,0,1|1,0,1]=4 2462 B16R1.932 CCNC(=O)CNC/C=C/c1ccccc1 2230a_100016988866_100016265936 [0,1,0,0,0,1|1,0,0]=3 2463 B16R1.932 CCNC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000183381 [0,1,0,0,0,1|1,0,0]=3 2464 B16R1.932 CCNC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000183381 [0,1,0,0,0,1|1,0,0]=3 2465 B16R1.932 CCNC(=O)CNCC=Cc1ccccc1 270004a_100016988866_100000210105 [0,1,0,0,0,1|1,0,0]=3 2466 B16R1.932 CCNC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000183381 [0,1,0,0,0,1|0,0,0]=2 2467 B16R1.932 CCNC(=O)COC/C=C/c1cccnc1 34a_200102594124_100000183381 [0,1,0,0,0,1|1,0,0]=3 2468 B16R1.932 CCNC(=O)COCC#Cc1ccccc1 34a_100011217464_100000183381 [0,1,0,0,0,1|0,0,2]=4 2469 B16R1.932 CCNC(=O)COCC#Cc1ccccc1 7a_100011217464_100000183381 [0,1,0,0,0,1|0,0,2]=4 2470 B16R1.932 CCNC(=O)COCCCc1ccccc1 34a_100000210828_100000183381 [0,1,0,0,0,1|0,0,2]=4 2471 B16R1.932 CCNC(=O)COCCCc1ccccc1 7a_100000210828_100000183381 [0,1,0,0,0,1|0,0,2]=4 2472 B16R1.932 CCNC(=O)COCCNc1ccccc1 34a_100000211345_100000183381 [0,1,0,0,0,1|1,0,1]=4 2473 B16R1.932 CCNC(=O)COCCOc1ccccc1 34a_100000210260_100000183381 [0,1,0,0,0,1|1,0,1]=4 2474 B16R1.932 CCNC(=O)COCCOc1ccccc1 7a_100000210260_100000183381 [0,1,0,0,0,1|1,0,1]=4 2475 B16R1.932 CCNC(=O)COCCSc1ccccc1 7a_100000230494_100000183381 [0,1,0,0,0,1|1,0,1]=4 2476 B16R1.932 CCNC(=O)CSC/C=C/c1ccccc1 62a_100000183381_100016265936 [0,1,0,0,0,1|0,1,0]=3 2477 B16R1.932 CCNC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000183381 [0,1,0,0,0,1|0,1,0]=3 2478 B16R1.932 CCOC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000188475 [0,1,0,0,0,1|1,0,0]=3 2479 B16R1.932 CCOC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000188475 [0,1,0,0,0,1|1,0,0]=3 2480 B16R1.932 CCOC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000188475 [0,1,0,0,0,1|0,0,0]=2 2481 B16R1.932 CCOC(=O)COC/C=C/c1cccnc1 34a_200102594124_100000188475 [0,1,0,0,0,1|1,0,0]=3 2482 B16R1.932 CCOC(=O)COCC#Cc1ccccc1 34a_100011217464_100000188475 [0,1,0,0,0,1|0,0,2]=4 2483 B16R1.932 CCOC(=O)COCC#Cc1ccccc1 7a_100011217464_100000188475 [0,1,0,0,0,1|0,0,2]=4 2484 B16R1.932 CCOC(=O)COCCCc1ccccc1 34a_100000210828_100000188475 [0,1,0,0,0,1|0,0,2]=4 2485 B16R1.932 CCOC(=O)COCCCc1ccccc1 7a_100000210828_100000188475 [0,1,0,0,0,1|0,0,2]=4 2486 B16R1.932 CCOC(=O)COCCNc1ccccc1 34a_100000106764_100000088970 [0,1,0,0,0,1|1,0,1]=4 2487 B16R1.932 CCOC(=O)COCCNc1ccccc1 34a_100000211345_100000188475 [0,1,0,0,0,1|1,0,1]=4 2488 B16R1.932 CCOC(=O)COCCOc1ccccc1 34a_100000210260_100000188475 [0,1,0,0,0,1|1,0,1]=4 2489 B16R1.932 CCOC(=O)COCCOc1ccccc1 34a_100000210340_100000088970 [0,1,0,0,0,1|1,0,1]=4 2490 B16R1.932 CCOC(=O)COCCOc1ccccc1 7a_100000210260_100000188475 [0,1,0,0,0,1|1,0,1]=4 2491 B16R1.932 CCOC(=O)COCCOc1ccccc1 7a_100000210340_100000088970 [0,1,0,0,0,1|1,0,1]=4 2492 B16R1.932 CCOC(=O)COCCSc1ccccc1 62a_100000088970_100000041952 [0,1,0,0,0,1|1,0,1]=4 2493 B16R1.932 CCOC(=O)COCCSc1ccccc1 62a_100000719477_100000088970 [0,1,0,0,0,1|1,0,1]=4 2494 B16R1.932 CCOC(=O)COCCSc1ccccc1 7a_100000230494_100000188475 [0,1,0,0,0,1|1,0,1]=4 2495 B16R1.932 CCOC(=O)CSC/C=C/c1ccccc1 62a_100000188475_100016265936 [0,1,0,0,0,1|0,1,0]=3 2496 B16R1.932 CCOC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000188475 [0,1,0,0,0,1|0,1,0]=3 2497 B16R1.932 CCOC(=O)OCSCCc1ccccc1 62a_100000765856_100000075025 [0,1,0,0,0,1|0,0,2]=4 2498 B16R1.932 CCOC(=O)OCSCSc1ccccc1 62a_100011218342_100000075025 [0,1,0,0,0,1|1,0,1]=4 2499 B16R1.932 COCC(=O)NN=CC=Cc1ccccc1 4a_100000216845_100000210105 [0,1,0,0,0,1|1,0,1]=4 2500 B16R1.932 COCC(N)COC/C=C/c1ccccc1 34a_100000724102_100016265936 [0,1,0,0,0,1|1,0,1]=4 2501 B16R1.932 COCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011215053 [0,1,0,0,0,1|0,0,2]=4 2502 B16R1.932 O=C(CNC/C=C/c1ccccc1)NCO 2230a_100020603302_100000185155 [0,1,0,0,0,1|2,0,0]=4 2503 B16R1.932 O=C(CNC/C=C/c1ccccc1)NCO 34a_100020603302_100000185155 [0,1,0,0,0,1|2,0,0]=4 2504 B16R1.932 O=C(COC/C=C/c1ccccc1)NCO 34a_100000210256_100000185155 [0,1,0,0,0,1|1,0,0]=3 2505 B16R1.932 O=C(COC/C=C/c1cccnc1)NCO 34a_200102594124_100000185155 [0,1,0,0,0,1|2,0,0]=4 2506 B16R1.932 O=C(CSC/C=C/c1ccccc1)NCO 62a_100000185155_100016265936 [0,1,0,0,0,1|1,1,0]=4 2507 B16R1.932 O=C(CSC/C=C/c1ccccc1)NCO 62a_100016265936_100000185155 [0,1,0,0,0,1|1,1,0]=4 2508 B16R1.1132 CCC(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_100000210202 [0,1,0,0,0,1|1,0,1]=4 2509 B16R1.1132 CCC(=O)CCCOC(=O)c1ccccc1 1458a_100000210414_200009892979 [0,1,0,0,0,1|1,0,1]=4 2510 B16R1.1132 CCC(=O)COCC[C@@H](O)c1ccccc1 34a_100000725409_100000729684 [0,1,0,0,0,1|0,0,2]=4 2511 B16R1.1132 CCC(=O)CSCCC(=O)c1ccccc1 62a_100000747405_100000750707 [0,1,0,0,0,1|0,1,1]=4 2512 B16R1.1132 CCC(=O)CSCCC(=O)c1ccccc1 62a_100000750707_100000747405 [0,1,0,0,0,1|0,1,1]=4 2513 B16R1.1132 CCC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000747405 [0,1,0,0,0,1|1,1,0]=4 2514 B16R1.1132 CCC(=O)CSCOC(=O)c1ccccc1 62a_100000747405_100000073877 [0,1,0,0,0,1|1,1,0]=4 2515 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 11a_100000736134_100000210414 [0,1,0,0,0,1|1,0,1]=4 2516 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 11a_100132302217_100000185807 [0,1,0,0,0,1|1,0,1]=4 2517 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 1626a_100000736134_100000210414 [0,1,0,0,0,1|1,0,1]=4 2518 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 1626a_100132302217_100000185807 [0,1,0,0,0,1|1,0,1]=4 2519 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 240690a_100000736134_100000210414 [0,1,0,0,0,1|1,0,1]=4 2520 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 240690a_100132302217_100000185807 [0,1,0,0,0,1|1,0,1]=4 2521 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 527a_100000736134_100000210414 [0,1,0,0,0,1|1,0,1]=4 2522 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 527a_100132302217_100000185807 [0,1,0,0,0,1|1,0,1]=4 2523 B16R1.1132 CCC(=O)NN=CC=C(C)c1ccccc1 4a_100000183195_200043867958 [0,1,0,0,0,1|1,0,1]=4 2524 B16R1.1132 CCC(=O)OCCOC(C)c1ccccc1 7a_200000031056_100000230085 [0,1,0,0,0,1|0,0,2]=4 2525 B16R1.1132 COC(=O)COCCC(=O)c1ccccc1 1458a_100000185807_100000090808 [0,1,0,0,0,1|1,0,1]=4 2526 B16R1.1132 COC(=O)OCSCC(=O)c1ccccc1 62a_100000211460_100000139417 [0,1,0,0,0,1|1,0,1]=4 2527 B16R1.1133 CCC(=O)COCC#Cc1ccccc1Br 34a_100000725409_100010706765 [0,1,0,0,0,1|0,0,2]=4 2528 B16R1.1133 CCC(=O)COCC#Cc1ccccc1Br 7a_100009814404_100000747405 [0,1,0,0,0,1|0,0,2]=4 2529 B16R1.1133 CCC(=O)COCC#Cc1ccccc1C 7a_200011352491_100000747405 [0,1,0,0,0,1|0,0,2]=4 2530 B16R1.1133 CCC(=O)COCC#Cc1ccccc1Cl 7a_100011219350_100000747405 [0,1,0,0,0,1|0,0,2]=4 2531 B16R1.1133 CCC(=O)COCC#Cc1ccccc1F 34a_100000725409_100010404167 [0,1,0,0,0,1|0,0,2]=4 2532 B16R1.1133 CCC(=O)COCC#Cc1ccccc1F 7a_100011219114_100000747405 [0,1,0,0,0,1|0,0,2]=4 2533 B16R1.1133 CCC(=O)COCCCc1ccccc1Br 34a_100000725409_200011713681 [0,1,0,0,0,1|0,0,2]=4 2534 B16R1.1133 CCC(=O)COCCCc1ccccc1Br 7a_100000699526_100000747405 [0,1,0,0,0,1|0,0,2]=4 2535 B16R1.1133 CCC(=O)COCCCc1ccccc1Cl 7a_100011709251_100000747405 [0,1,0,0,0,1|0,0,2]=4 2536 B16R1.1133 CCC(=O)COCCCc1ccccc1F 7a_100011709249_100000747405 [0,1,0,0,0,1|0,0,2]=4 2537 B16R1.1133 CCC(=O)COCCOc1ccccc1Br 34a_100000725409_100000695877 [0,1,0,0,0,1|1,0,1]=4 2538 B16R1.1133 CCC(=O)COCCOc1ccccc1Br 7a_100000230753_100000747405 [0,1,0,0,0,1|1,0,1]=4 2539 B16R1.1133 CCC(=O)COCCOc1ccccc1C 34a_100000725409_100000184434 [0,1,0,0,0,1|1,0,1]=4 2540 B16R1.1133 CCC(=O)COCCOc1ccccc1Cl 7a_200000230518_100000747405 [0,1,0,0,0,1|1,0,1]=4 2541 B16R1.1133 CCC(=O)COCCOc1ccccc1F 34a_100000725409_100000183290 [0,1,0,0,0,1|1,0,1]=4 2542 B16R1.1133 CCC(=O)COCCOc1ccccc1F 7a_100000756447_100000747405 [0,1,0,0,0,1|1,0,1]=4 2543 B16R1.1133 CCC(=O)COCCSc1ccccc1Br 7a_200000230852_100000747405 [0,1,0,0,0,1|1,0,1]=4 2544 B16R1.1133 CCC(=O)COCCSc1ccccc1Cl 7a_200000230572_100000747405 [0,1,0,0,0,1|1,0,1]=4 2545 B16R1.1133 CCC(=O)COCCSc1ccccc1F 7a_200000230732_100000747405 [0,1,0,0,0,1|1,0,1]=4 2546 B16R1.1133 CCC(=O)NN=CC=Cc1ccccc1Br 4a_100000183195_200016268969 [0,1,0,0,0,1|1,0,1]=4 2547 B16R1.1133 CCC(=O)NN=CC=Cc1ccccc1Cl 4a_100000183195_200102525841 [0,1,0,0,0,1|1,0,1]=4 2548 B16R1.1133 CCC(=O)NN=CC=Cc1ccccc1F 4a_100000183195_200102525844 [0,1,0,0,0,1|1,0,1]=4 2549 B16R1.1133 CCC(=O)OCCOCc1ccccc1Br 7a_200000031056_100000184730 [0,1,0,0,0,1|0,0,2]=4 2550 B16R1.1133 CCC(=O)OCCOCc1ccccc1C 7a_200000031056_100000211839 [0,1,0,0,0,1|0,0,2]=4 2551 B16R1.1133 CCC(=O)OCCOCc1ccccc1Cl 7a_200000031056_100000187162 [0,1,0,0,0,1|0,0,2]=4 2552 B16R1.1133 CCC(=O)OCCOCc1ccccc1F 7a_200000031056_100000211605 [0,1,0,0,0,1|0,0,2]=4 2553 B16R1.1133 CCC(=O)OCCOCc1ccccc1I 7a_200000031056_100011215278 [0,1,0,0,0,1|0,0,2]=4 2554 B16R1.1133 CNC(=O)CNCC=Cc1ccccc1Br 270004a_100000693194_200016268969 [0,1,0,0,0,1|2,0,0]=4 2555 B16R1.1133 CNC(=O)CNCC=Cc1ccccc1Cl 270004a_100000693194_200102525841 [0,1,0,0,0,1|2,0,0]=4 2556 B16R1.1133 CNC(=O)CNCC=Cc1ccccc1F 270004a_100000693194_200102525844 [0,1,0,0,0,1|2,0,0]=4 2557 B16R1.1146 CCC(=O)COCC#Cc1cccc(c1)Br 34a_100000725409_100010706776 [0,1,0,0,0,1|0,0,2]=4 2558 B16R1.1146 CCC(=O)COCC#Cc1cccc(c1)Br 7a_100009814051_100000747405 [0,1,0,0,0,1|0,0,2]=4 2559 B16R1.1146 CCC(=O)COCC#Cc1cccc(c1)Cl 7a_100011218842_100000747405 [0,1,0,0,0,1|0,0,2]=4 2560 B16R1.1146 CCC(=O)COCC#Cc1cccc(c1)F 34a_100000725409_100010402994 [0,1,0,0,0,1|0,0,2]=4 2561 B16R1.1146 CCC(=O)COCC#Cc1cccc(c1)F 7a_100011219115_100000747405 [0,1,0,0,0,1|0,0,2]=4 2562 B16R1.1146 CCC(=O)COCCCc1cccc(c1)Br 34a_100000725409_100011713683 [0,1,0,0,0,1|0,0,2]=4 2563 B16R1.1146 CCC(=O)COCCCc1cccc(c1)Br 7a_100011709248_100000747405 [0,1,0,0,0,1|0,0,2]=4 2564 B16R1.1146 CCC(=O)COCCCc1cccc(c1)Cl 7a_100011709246_100000747405 [0,1,0,0,0,1|0,0,2]=4 2565 B16R1.1146 CCC(=O)COCCCc1cccc(c1)F 34a_100000725409_200000698031 [0,1,0,0,0,1|0,0,2]=4 2566 B16R1.1146 CCC(=O)COCCCc1cccc(c1)N 7a_200000698965_100000747405 [0,1,0,0,0,1|0,0,2]=4 2567 B16R1.1146 CCC(=O)COCCOc1cccc(c1)Br 34a_100000725409_100000183150 [0,1,0,0,0,1|1,0,1]=4 2568 B16R1.1146 CCC(=O)COCCOc1cccc(c1)Br 7a_100000757546_100000747405 [0,1,0,0,0,1|1,0,1]=4 2569 B16R1.1146 CCC(=O)COCCOc1cccc(c1)C 7a_200011215094_100000747405 [0,1,0,0,0,1|1,0,1]=4 2570 B16R1.1146 CCC(=O)COCCOc1cccc(c1)Cl 34a_100000725409_100000181161 [0,1,0,0,0,1|1,0,1]=4 2571 B16R1.1146 CCC(=O)COCCOc1cccc(c1)Cl 7a_100000230539_100000747405 [0,1,0,0,0,1|1,0,1]=4 2572 B16R1.1146 CCC(=O)COCCOc1cccc(c1)F 34a_100000725409_100000739188 [0,1,0,0,0,1|1,0,1]=4 2573 B16R1.1146 CCC(=O)COCCSc1cccc(c1)Br 7a_200011756134_100000747405 [0,1,0,0,0,1|1,0,1]=4 2574 B16R1.1146 CCC(=O)COCCSc1cccc(c1)C 7a_200011432187_100000747405 [0,1,0,0,0,1|1,0,1]=4 2575 B16R1.1146 CCC(=O)COCCSc1cccc(c1)Cl 7a_200011721761_100000747405 [0,1,0,0,0,1|1,0,1]=4 2576 B16R1.1146 CCC(=O)COCCSc1cccc(c1)F 7a_200011996949_100000747405 [0,1,0,0,0,1|1,0,1]=4 2577 B16R1.1146 CCC(=O)NN=CC=Cc1cccc(c1)C 4a_100000183195_100102525846 [0,1,0,0,0,1|1,0,1]=4 2578 B16R1.1146 CCC(=O)NN=CC=Cc1cccc(c1)Cl 4a_100000183195_100016268971 [0,1,0,0,0,1|1,0,1]=4 2579 B16R1.1146 CCC(=O)OCCOCc1cccc(c1)Br 7a_200000031056_100000211773 [0,1,0,0,0,1|0,0,2]=4 2580 B16R1.1146 CCC(=O)OCCOCc1cccc(c1)C 7a_200000031056_100000211840 [0,1,0,0,0,1|0,0,2]=4 2581 B16R1.1146 CCC(=O)OCCOCc1cccc(c1)Cl 7a_200000031056_100000187163 [0,1,0,0,0,1|0,0,2]=4 2582 B16R1.1146 CCC(=O)OCCOCc1cccc(c1)F 7a_200000031056_100000230114 [0,1,0,0,0,1|0,0,2]=4 2583 B16R1.1146 CCC(=O)OCCOCc1cccc(c1)I 7a_200000031056_100011218688 [0,1,0,0,0,1|0,0,2]=4 2584 B16R1.1146 CCC(=O)OCCOCc1cccc(c1)O 7a_200000031056_100000084143 [0,1,0,0,0,1|0,0,2]=4 2585 B16R1.1146 CNC(=O)CNCC=Cc1cccc(c1)C 270004a_100000693194_100102525846 [0,1,0,0,0,1|2,0,0]=4 2586 B16R1.1146 CNC(=O)CNCC=Cc1cccc(c1)Cl 270004a_100000693194_100016268971 [0,1,0,0,0,1|2,0,0]=4 2587 B16R1.1329 CCC(=O)CCCC(=O)Nc1ccccc1 1458a_100000210414_100011194425 [0,1,0,0,0,1|1,0,1]=4 2588 B16R1.1329 CCC(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_100000210202 [0,1,0,0,0,1|1,0,1]=4 2589 B16R1.1329 CCC(=O)COC/C(=C/c1ccccc1)/C 7a_200025717232_100000747405 [0,1,0,0,0,1|0,0,0]=2 2590 B16R1.1329 CCC(=O)COCC(=O)Nc1ccccc1 1458a_200000199795_100000210202 [0,1,0,0,0,1|1,0,0]=3 2591 B16R1.1329 CCC(=O)COCC(=O)Nc1ccccc1 34a_100000725409_100000182850 [0,1,0,0,0,1|1,0,0]=3 2592 B16R1.1329 CCC(=O)COCC(=O)Nc1cccnc1 1458a_200000239308_100000210202 [0,1,0,0,0,1|2,0,0]=4 2593 B16R1.1329 CCC(=O)COCC(=O)Oc1ccccc1 34a_100000725409_100009813826 [0,1,0,0,0,1|1,0,0]=3 2594 B16R1.1329 CCC(=O)COCC(C)Cc1ccccc1 7a_100012125295_100000747405 [0,1,0,0,0,1|0,0,2]=4 2595 B16R1.1329 CCC(=O)COCC(C)Oc1ccccc1 7a_200000036796_100000747405 [0,1,0,0,0,1|1,0,1]=4 2596 B16R1.1329 CCC(=O)COC[C@@H](O)Cc1ccccc1 34a_100000725409_100000729385 [0,1,0,0,0,1|0,0,2]=4 2597 B16R1.1329 CCC(=O)CSCC(=O)Cc1ccccc1 62a_100000233483_100000747405 [0,1,0,0,0,1|0,1,1]=4 2598 B16R1.1329 CCC(=O)CSCC(=O)Cc1ccccc1 62a_100000747405_100000233483 [0,1,0,0,0,1|0,1,1]=4 2599 B16R1.1329 CCC(=O)CSCC(=O)Nc1ccccc1 62a_100000747405_100000182850 [0,1,0,0,0,1|1,1,0]=4 2600 B16R1.1329 CCC(=O)CSCC(=O)Nc1ccccc1 62a_100012148978_100000747405 [0,1,0,0,0,1|1,1,0]=4 2601 B16R1.1329 CCC(=O)CSCC(=O)Oc1ccccc1 62a_100000747405_100009813826 [0,1,0,0,0,1|1,1,0]=4 2602 B16R1.1329 CCC(=O)CSCC(=O)Oc1ccccc1 62a_100009813826_100000747405 [0,1,0,0,0,1|1,1,0]=4 2603 B16R1.1329 CCC(=O)NN=C/C(=C/c1ccccc1)/Br 4a_100000183195_100016988036 [0,1,0,0,0,1|1,0,1]=4 2604 B16R1.1329 CCC(=O)NN=C/C(=C/c1ccccc1)/C 4a_100000183195_100016997181 [0,1,0,0,0,1|1,0,1]=4 2605 B16R1.1329 CCC(=O)NN=C/C(=C\c1ccccc1)/Cl 4a_100000183195_200014065628 [0,1,0,0,0,1|1,0,1]=4 2606 B16R1.1329 CCC(C)COC/C(=C/c1ccccc1)/C 34a_200025717232_100000748023 [0,1,0,0,0,1|1,0,1]=4 2607 B16R1.1329 CCC(C)COC/C(=C/c1ccccc1)/C 7a_200025717232_100000748023 [0,1,0,0,0,1|1,0,1]=4 2608 B16R1.1329 CCC(O)COC/C(=C/c1ccccc1)/C 34a_200025717232_100011218378 [0,1,0,0,0,1|0,0,2]=4 2609 B16R1.1329 CCC(O)COC/C(=C/c1ccccc1)/C 7a_200025717232_100011218378 [0,1,0,0,0,1|0,0,2]=4 2610 B16R1.1329 CC[C@H](C)COC/C(=C/c1ccccc1)/C 34a_200025717232_100009816398 [0,1,0,0,0,1|1,0,1]=4 2611 B16R1.1329 CC[C@H](C)COC/C(=C/c1ccccc1)/C 7a_200025717232_100009816398 [0,1,0,0,0,1|1,0,1]=4 2612 B16R1.1329 CNC(=O)COC/C(=C/c1ccccc1)/C 34a_200025717232_100000183359 [0,1,0,0,0,1|1,0,0]=3 2613 B16R1.1329 CNC(=O)COC/C(=C/c1ccccc1)/C 7a_200025717232_100000183359 [0,1,0,0,0,1|1,0,0]=3 2614 B16R1.1329 CNC(=O)COCC(=O)Nc1ccccc1 11a_106832991635_200000199795 [0,1,0,0,0,1|2,0,0]=4 2615 B16R1.1329 CNC(=O)COCC(=O)Nc1ccccc1 240690a_100102657272_200000199795 [0,1,0,0,0,1|2,0,0]=4 2616 B16R1.1329 CNC(=O)COCC(=O)Nc1ccccc1 34a_100000246334_100000183359 [0,1,0,0,0,1|2,0,0]=4 2617 B16R1.1329 CNC(=O)COCC(=O)Nc1ccccc1 34a_100000750040_100000182850 [0,1,0,0,0,1|2,0,0]=4 2618 B16R1.1329 CNC(=O)COCC(=O)Oc1ccccc1 34a_100000750040_100009813826 [0,1,0,0,0,1|2,0,0]=4 2619 B16R1.1329 COC(=O)COC/C(=C/c1ccccc1)/C 34a_200025717232_100000747449 [0,1,0,0,0,1|1,0,0]=3 2620 B16R1.1329 COC(=O)COC/C(=C/c1ccccc1)/C 7a_200025717232_100000747449 [0,1,0,0,0,1|1,0,0]=3 2621 B16R1.1329 COC(=O)COCC(=O)Nc1ccccc1 34a_100000246334_100000747449 [0,1,0,0,0,1|2,0,0]=4 2622 B16R1.1329 O=C(CF)COCC(=O)Nc1ccccc1 1458a_200000199795_100015361967 [0,1,0,0,0,1|2,0,0]=4 2623 B16R1.1343 CCC(=O)CCC(=O)NCc1ccccc1 1458a_100000185749_100000210202 [0,1,0,0,0,1|1,0,1]=4 2624 B16R1.1343 CCC(=O)CCC(=O)OCc1ccccc1 1458a_100000066287_100000210202 [0,1,0,0,0,1|1,0,1]=4 2625 B16R1.1343 CCC(=O)CCC(=O)OCc1ccccc1 1458a_100000210414_100009813219 [0,1,0,0,0,1|1,0,1]=4 2626 B16R1.1343 CCC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210202 [0,1,0,0,0,1|1,0,1]=4 2627 B16R1.1343 CCC(=O)COC(C)C#Cc1ccccc1 7a_200000065209_100000747405 [0,1,0,0,0,1|0,0,2]=4 2628 B16R1.1343 CCC(=O)COC(C)COc1ccccc1 7a_100000210911_100000747405 [0,1,0,0,0,1|1,0,1]=4 2629 B16R1.1343 CCC(=O)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100000747405 [0,1,0,0,0,1|0,0,2]=4 2630 B16R1.1343 CCC(=O)NCC(=O)CCc1ccccc1 1458a_100000194589_100000765856 [0,1,0,0,0,1|1,0,1]=4 2631 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 11a_100000739245_100000210414 [0,1,0,0,0,1|1,0,1]=4 2632 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 11a_100015324214_100000194589 [0,1,0,0,0,1|1,0,1]=4 2633 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 1626a_100000739245_100000210414 [0,1,0,0,0,1|1,0,1]=4 2634 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 1626a_100015324214_100000194589 [0,1,0,0,0,1|1,0,1]=4 2635 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 240690a_100000739245_100000210414 [0,1,0,0,0,1|1,0,1]=4 2636 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 240690a_100015324214_100000194589 [0,1,0,0,0,1|1,0,1]=4 2637 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 527a_100000739245_100000210414 [0,1,0,0,0,1|1,0,1]=4 2638 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 527a_100015324214_100000194589 [0,1,0,0,0,1|1,0,1]=4 2639 B16R1.1343 CCC(=O)NCC(=O)NNc1ccccc1 22a_100015195140_100000194589 [0,1,0,0,0,1|2,0,0]=4 2640 B16R1.1343 CCC(=O)NCC(=O)OCc1ccccc1 188690a_100000687225_100000210414 [0,1,0,0,0,1|1,0,1]=4 2641 B16R1.1343 CCC(=O)NN=C(C)C=Cc1ccccc1 4a_100000183195_100000204604 [0,1,0,0,0,1|1,0,1]=4 2642 B16R1.1343 CCC(=O)NNC(=O)C=Cc1ccccc1 22a_100000183195_100000210462 [0,1,0,0,0,1|1,0,1]=4 2643 B16R1.1635 CC(OC/C=C/c1ccccc1)C(=O)NN 34a_100000725659_100016265936 [0,1,0,0,0,1|2,0,0]=4 2644 B16R1.1635 CCC(=O)C(C)NC/C=C/c1ccccc1 2230a_100020603302_100000742827 [0,1,0,0,0,1|1,0,0]=3 2645 B16R1.1635 CCC(=O)C(C)OCC#Cc1ccccc1 7a_100011217464_100000742827 [0,1,0,0,0,1|0,0,2]=4 2646 B16R1.1635 CCC(=O)C(C)OCCCc1ccccc1 7a_100000210828_100000742827 [0,1,0,0,0,1|0,0,2]=4 2647 B16R1.1635 CCC(=O)C(C)OCCOc1ccccc1 7a_100000210260_100000742827 [0,1,0,0,0,1|1,0,1]=4 2648 B16R1.1635 CCC(=O)C(C)OCCSc1ccccc1 7a_100000230494_100000742827 [0,1,0,0,0,1|1,0,1]=4 2649 B16R1.1635 CCC(=O)C(C)SC/C=C/c1ccccc1 62a_100000742827_100016265936 [0,1,0,0,0,1|0,1,0]=3 2650 B16R1.1635 CCC(=O)C(C)SC/C=C/c1ccccc1 62a_100016265936_100000742827 [0,1,0,0,0,1|0,1,0]=3 2651 B16R1.1635 CCC(C)C(C)OC/C=C/c1ccccc1 7a_100011215189_100016265936 [0,1,0,0,0,1|1,0,1]=4 2652 B16R1.1635 CNC(=O)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100011218921 [0,1,0,0,0,1|2,0,0]=4 2653 B16R1.1635 CNC(=O)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100011218921 [0,1,0,0,0,1|2,0,0]=4 2654 B16R1.1635 CNC(=O)C(=O)NC/C=C/c1ccccc1 527a_100020603302_100011218921 [0,1,0,0,0,1|2,0,0]=4 2655 B16R1.1635 CNC(=O)C(C)NC/C=C/c1ccccc1 2230a_100020603302_100000731044 [0,1,0,0,0,1|2,0,0]=4 2656 B16R1.1635 CNC(=O)C(C)NC/C=C/c1ccccc1 34a_100020603302_100000731044 [0,1,0,0,0,1|2,0,0]=4 2657 B16R1.1635 CNC(=O)C(C)OC/C=C/c1ccccc1 34a_100000210256_100000731044 [0,1,0,0,0,1|1,0,0]=3 2658 B16R1.1635 CNC(=O)C(C)OC/C=C/c1cccnc1 34a_200102594124_100000731044 [0,1,0,0,0,1|2,0,0]=4 2659 B16R1.1635 CNC(=O)C(C)SC/C=C/c1ccccc1 62a_100000209862_100016265936 [0,1,0,0,0,1|1,1,0]=4 2660 B16R1.1635 CNC(=O)C(C)SC/C=C/c1ccccc1 62a_100016265936_100000731044 [0,1,0,0,0,1|1,1,0]=4 2661 B16R1.1635 CNC(=O)C(F)NC/C=C/c1ccccc1 2230a_100020603302_100009813575 [0,1,0,0,0,1|2,0,0]=4 2662 B16R1.1635 CNC(=O)C(F)NC/C=C/c1ccccc1 34a_100020603302_100009813575 [0,1,0,0,0,1|2,0,0]=4 2663 B16R1.1635 CNC(=O)C(F)OC/C=C/c1ccccc1 34a_100000210256_100009813575 [0,1,0,0,0,1|1,0,0]=3 2664 B16R1.1635 CNC(=O)C(F)OC/C=C/c1cccnc1 34a_200102594124_100009813575 [0,1,0,0,0,1|2,0,0]=4 2665 B16R1.1635 CNC(=O)C(F)SC/C=C/c1ccccc1 62a_100009813575_100016265936 [0,1,0,0,0,1|1,1,0]=4 2666 B16R1.1635 CNC(=O)C(F)SC/C=C/c1ccccc1 62a_100016265936_100009813575 [0,1,0,0,0,1|1,1,0]=4 2667 B16R1.1635 CNC(=O)[C@@H](C)NC/C=C/c1ccccc1 2230a_100000684985_100016265936 [0,1,0,0,0,1|2,0,0]=4 2668 B16R1.1635 CNC(=O)[C@@H](C)NC/C=C/c1ccccc1 34a_100000684985_100016265936 [0,1,0,0,0,1|2,0,0]=4 2669 B16R1.1635 COC(=O)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000024059 [0,1,0,0,0,1|2,0,0]=4 2670 B16R1.1635 COC(=O)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000024059 [0,1,0,0,0,1|2,0,0]=4 2671 B16R1.1635 COC(=O)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000024059 [0,1,0,0,0,1|2,0,0]=4 2672 B16R1.1635 COC(=O)C(=O)NC/C=C/c1ccccc1 527a_100020603302_100000024059 [0,1,0,0,0,1|2,0,0]=4 2673 B16R1.1635 COC(=O)C(C)NC/C=C/c1ccccc1 2230a_100020603302_100000211248 [0,1,0,0,0,1|2,0,0]=4 2674 B16R1.1635 COC(=O)C(C)NC/C=C/c1ccccc1 34a_100020603302_100000211248 [0,1,0,0,0,1|2,0,0]=4 2675 B16R1.1635 COC(=O)C(C)OC/C=C/c1ccccc1 34a_100000210256_100000211248 [0,1,0,0,0,1|1,0,0]=3 2676 B16R1.1635 COC(=O)C(C)OC/C=C/c1ccccc1 34a_100011215400_100016265936 [0,1,0,0,0,1|1,0,0]=3 2677 B16R1.1635 COC(=O)C(C)OC/C=C/c1cccnc1 34a_200102594124_100000211248 [0,1,0,0,0,1|2,0,0]=4 2678 B16R1.1635 COC(=O)C(C)SC/C=C/c1ccccc1 62a_100000211248_100016265936 [0,1,0,0,0,1|1,1,0]=4 2679 B16R1.1635 COC(=O)C(C)SC/C=C/c1ccccc1 62a_100016265936_100000211248 [0,1,0,0,0,1|1,1,0]=4 2680 B16R1.4131 CC(=O)C(=O)CNC/C=C/c1ccccc1 34a_100020603302_100011261029 [0,1,0,0,0,1|1,0,1]=4 2681 B16R1.4131 CC(=O)C(=O)COC/C=C/c1ccccc1 34a_100000210256_100011261029 [0,1,0,0,0,1|0,0,1]=3 2682 B16R1.4131 CC(=O)C(=O)COC/C=C/c1cccnc1 34a_200102594124_100011261029 [0,1,0,0,0,1|1,0,1]=4 2683 B16R1.4131 CC(=O)C(=O)CSC/C=C/c1ccccc1 62a_100011261029_100016265936 [0,1,0,0,0,1|0,1,1]=4 2684 B16R1.4131 CC(=O)C(=O)CSC/C=C/c1ccccc1 62a_100016265936_100011261029 [0,1,0,0,0,1|0,1,1]=4 2685 B16R1.4131 CC(C)C(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000753385 [0,1,0,0,0,1|1,0,0]=3 2686 B16R1.4131 CC(C)C(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000753385 [0,1,0,0,0,1|1,0,0]=3 2687 B16R1.4131 CC(C)C(=O)COC/C=C/c1ccccc1 34a_100000210256_100000753385 [0,1,0,0,0,1|0,0,0]=2 2688 B16R1.4131 CC(C)C(=O)COC/C=C/c1cccnc1 34a_200102594124_100000753385 [0,1,0,0,0,1|1,0,0]=3 2689 B16R1.4131 CC(C)C(=O)COCC#Cc1ccccc1 34a_100011217464_100000753385 [0,1,0,0,0,1|0,0,2]=4 2690 B16R1.4131 CC(C)C(=O)COCC#Cc1ccccc1 7a_100011217464_100000753385 [0,1,0,0,0,1|0,0,2]=4 2691 B16R1.4131 CC(C)C(=O)COCCCc1ccccc1 34a_100000210828_100000753385 [0,1,0,0,0,1|0,0,2]=4 2692 B16R1.4131 CC(C)C(=O)COCCCc1ccccc1 7a_100000210828_100000753385 [0,1,0,0,0,1|0,0,2]=4 2693 B16R1.4131 CC(C)C(=O)COCCNc1ccccc1 34a_100000211345_100000753385 [0,1,0,0,0,1|1,0,1]=4 2694 B16R1.4131 CC(C)C(=O)COCCOc1ccccc1 34a_100000210260_100000753385 [0,1,0,0,0,1|1,0,1]=4 2695 B16R1.4131 CC(C)C(=O)COCCOc1ccccc1 7a_100000210260_100000753385 [0,1,0,0,0,1|1,0,1]=4 2696 B16R1.4131 CC(C)C(=O)COCCSc1ccccc1 7a_100000230494_100000753385 [0,1,0,0,0,1|1,0,1]=4 2697 B16R1.4131 CC(C)C(=O)CSC/C=C/c1ccccc1 62a_100000753385_100016265936 [0,1,0,0,0,1|0,1,0]=3 2698 B16R1.4131 CC(C)C(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000753385 [0,1,0,0,0,1|0,1,0]=3 2699 B16R1.4131 CC(C)C(=O)NN=CC=Cc1ccccc1 4a_100000184118_100000210105 [0,1,0,0,0,1|1,0,1]=4 2700 B16R1.4131 CC(C)C(=O)OCSCCc1ccccc1 62a_100000139345_100011218657 [0,1,0,0,0,1|0,0,2]=4 2701 B16R1.4131 CC(C)C(=O)OCSCCc1ccccc1 62a_100000765856_100000139345 [0,1,0,0,0,1|0,0,2]=4 2702 B16R1.4131 CC(C)C(=O)OCSCSc1ccccc1 62a_100000139345_100011218342 [0,1,0,0,0,1|1,0,1]=4 2703 B16R1.4131 CC(C)C(=O)OCSCSc1ccccc1 62a_100011218342_100000139345 [0,1,0,0,0,1|1,0,1]=4 2704 B16R1.4131 CC(C)[C@@H](N)COC/C=C/c1ccccc1 34a_100011830312_100016265936 [0,1,0,0,0,1|1,0,1]=4 2705 B16R1.4131 CN(C)C(=O)CNC/C=C/c1ccccc1 2230a_100015183351_100016265936 [0,1,0,0,0,1|2,0,0]=4 2706 B16R1.4131 CN(C)C(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000185267 [0,1,0,0,0,1|2,0,0]=4 2707 B16R1.4131 CN(C)C(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000692301 [0,1,0,0,0,1|2,0,0]=4 2708 B16R1.4131 CN(C)C(=O)CNCC=Cc1ccccc1 270004a_100015183351_100000210105 [0,1,0,0,0,1|2,0,0]=4 2709 B16R1.4131 CN(C)C(=O)COC/C=C/c1ccccc1 34a_100000210256_100000692301 [0,1,0,0,0,1|1,0,0]=3 2710 B16R1.4131 CN(C)C(=O)COC/C=C/c1cccnc1 34a_200102594124_100000692301 [0,1,0,0,0,1|2,0,0]=4 2711 B16R1.4131 CN(C)C(=O)CSC/C=C/c1ccccc1 62a_100000692301_100016265936 [0,1,0,0,0,1|1,1,0]=4 2712 B16R1.4131 CN(C)C(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000692301 [0,1,0,0,0,1|1,1,0]=4 2713 B16R1.3 CCC(C)OC/C=C/c1ccc(cc1)OC 34a_200016269047_100011215416 [0,2,0,0,0,0|1,0,1]=4 2714 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)Br 2230a_100000174875_100000034017 [0,2,0,0,0,0|1,0,1]=4 2715 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)Br 34a_100000174875_100000034017 [0,2,0,0,0,0|1,0,1]=4 2716 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)C 2230a_100000174908_100000034017 [0,2,0,0,0,0|1,0,1]=4 2717 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)C 34a_100000174908_100000034017 [0,2,0,0,0,0|1,0,1]=4 2718 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)Cl 2230a_100000174871_100000034017 [0,2,0,0,0,0|1,0,1]=4 2719 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)Cl 34a_100000174871_100000034017 [0,2,0,0,0,0|1,0,1]=4 2720 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)F 2230a_100000174882_100000034017 [0,2,0,0,0,0|1,0,1]=4 2721 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)F 34a_100000174882_100000034017 [0,2,0,0,0,0|1,0,1]=4 2722 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)I 2230a_100016989417_100000034017 [0,2,0,0,0,0|1,0,1]=4 2723 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)I 34a_100016989417_100000034017 [0,2,0,0,0,0|1,0,1]=4 2724 B16R1.9 CCCC(=O)OCNCc1ccc(cc1)O 34a_100000185549_100000034017 [0,2,0,0,0,0|1,0,1]=4 2725 B16R1.9 CCCC(=O)OCOCc1ccc(cc1)Br 34a_100000695286_100000034017 [0,2,0,0,0,0|1,0,1]=4 2726 B16R1.9 CCCC(=O)OCOCc1ccc(cc1)C 34a_100011215236_100000034017 [0,2,0,0,0,0|1,0,1]=4 2727 B16R1.9 CCCC(=O)OCOCc1ccc(cc1)Cl 34a_100000211118_100000034017 [0,2,0,0,0,0|1,0,1]=4 2728 B16R1.9 CCCC(=O)OCOCc1ccc(cc1)F 34a_100000210977_100000034017 [0,2,0,0,0,0|1,0,1]=4 2729 B16R1.9 CCCC(=O)OCOCc1ccc(cc1)I 34a_100000690907_100000034017 [0,2,0,0,0,0|1,0,1]=4 2730 B16R1.9 CCCC(=O)OCOCc1ccc(cc1)N 34a_100011215238_100000034017 [0,2,0,0,0,0|1,0,1]=4 2731 B16R1.9 CCCC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000034017 [0,2,0,0,0,0|1,0,1]=4 2732 B16R1.9 CCCC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000034017 [0,2,0,0,0,0|1,0,1]=4 2733 B16R1.9 CCCC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000034017 [0,2,0,0,0,0|1,0,1]=4 2734 B16R1.9 CCCC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000034017 [0,2,0,0,0,0|1,0,1]=4 2735 B16R1.9 CCCC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000034017 [0,2,0,0,0,0|1,0,1]=4 2736 B16R1.9 CCOC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000075025 [0,2,0,0,0,0|1,0,1]=4 2737 B16R1.9 CCOC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000075025 [0,2,0,0,0,0|1,0,1]=4 2738 B16R1.9 CCOC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000075025 [0,2,0,0,0,0|1,0,1]=4 2739 B16R1.9 CCOC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000075025 [0,2,0,0,0,0|1,0,1]=4 2740 B16R1.9 CCOC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000075025 [0,2,0,0,0,0|1,0,1]=4 2741 B16R1.850 CCC(=O)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000747405 [0,2,0,0,0,0|1,0,1]=4 2742 B16R1.850 CCC(=O)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000747405 [0,2,0,0,0,0|1,0,1]=4 2743 B16R1.850 CCC(=O)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000747405 [0,2,0,0,0,0|1,0,1]=4 2744 B16R1.850 CCC(=O)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000747405 [0,2,0,0,0,0|1,0,1]=4 2745 B16R1.850 CCC(=O)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000747405 [0,2,0,0,0,0|1,0,1]=4 2746 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)Br 62a_100000139345_100000189115 [0,2,0,0,0,0|1,0,1]=4 2747 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000139345 [0,2,0,0,0,0|1,0,1]=4 2748 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)Cl 62a_100000139345_100000187161 [0,2,0,0,0,0|1,0,1]=4 2749 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000139345 [0,2,0,0,0,0|1,0,1]=4 2750 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)F 62a_100000139345_100000187164 [0,2,0,0,0,0|1,0,1]=4 2751 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000139345 [0,2,0,0,0,0|1,0,1]=4 2752 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)I 62a_100000139345_100000189116 [0,2,0,0,0,0|1,0,1]=4 2753 B16R1.1062 CC(C)C(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000139345 [0,2,0,0,0,0|1,0,1]=4 2754 B16R1.1062 Cc1ccc(cc1)CSCOC(=O)C(C)C 62a_100000139345_100000210814 [0,2,0,0,0,0|1,0,1]=4 2755 B16R1.1062 Cc1ccc(cc1)CSCOC(=O)C(C)C 62a_100000210814_100000139345 [0,2,0,0,0,0|1,0,1]=4 2756 B16R1.1142 CCC(=O)CCCC(=O)c1ccc(cc1)Br 1458a_100000210414_100000211046 [0,2,0,0,0,0|1,0,1]=4 2757 B16R1.1142 CCC(=O)CCCC(=O)c1ccc(cc1)Cl 1458a_100000210414_200011217871 [0,2,0,0,0,0|1,0,1]=4 2758 B16R1.1142 CCC(=O)CCCC(=O)c1ccc(cc1)F 1458a_100000210414_100000211961 [0,2,0,0,0,0|1,0,1]=4 2759 B16R1.1142 CCC(=O)CCCC(=O)c1ccc(cc1)O 1458a_100000210414_100000039620 [0,2,0,0,0,0|1,0,1]=4 2760 B16R1.1142 CCC(=O)CCNC(=O)c1ccc(cc1)Br 1458a_100000184271_100000210202 [0,2,0,0,0,0|2,0,0]=4 2761 B16R1.1142 CCC(=O)CCNC(=O)c1ccc(cc1)Cl 1458a_100000184362_100000210202 [0,2,0,0,0,0|2,0,0]=4 2762 B16R1.1142 CCC(=O)CCNC(=O)c1ccc(cc1)F 1458a_100000195280_100000210202 [0,2,0,0,0,0|2,0,0]=4 2763 B16R1.1142 CNC(=O)OCCC(=O)c1ccc(cc1)Br 1458a_100000185839_200011997002 [0,2,0,0,0,0|1,0,1]=4 2764 B16R1.1142 CNC(=O)OCCC(=O)c1ccc(cc1)C 1458a_100000188618_200011997002 [0,2,0,0,0,0|1,0,1]=4 2765 B16R1.1142 CNC(=O)OCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_200011997002 [0,2,0,0,0,0|1,0,1]=4 2766 B16R1.1142 CNC(=O)OCCC(=O)c1ccc(cc1)F 1458a_100000187176_200011997002 [0,2,0,0,0,0|1,0,1]=4 2767 B16R1.1142 CNC(=O)OCCC(=O)c1ccc(cc1)I 1458a_100000187904_200011997002 [0,2,0,0,0,0|1,0,1]=4 2768 B16R1.1142 CNC(=O)OCCC(=O)c1ccc(cc1)O 1458a_100000212099_200011997002 [0,2,0,0,0,0|1,0,1]=4 2769 B16R1.1147 CCC(=O)CCC(=O)Nc1ccc(cc1)Br 1458a_200000185744_100000210202 [0,2,0,0,0,0|2,0,0]=4 2770 B16R1.1147 CCC(=O)CCC(=O)Nc1ccc(cc1)C 1458a_100000210414_200000187088 [0,2,0,0,0,0|2,0,0]=4 2771 B16R1.1147 CCC(=O)CCC(=O)Nc1ccc(cc1)C 1458a_200000180974_100000210202 [0,2,0,0,0,0|2,0,0]=4 2772 B16R1.1147 CCC(=O)CCC(=O)Nc1ccc(cc1)Cl 1458a_200000180981_100000210202 [0,2,0,0,0,0|2,0,0]=4 2773 B16R1.1147 CCC(=O)CCC(=O)Nc1ccc(cc1)F 1458a_200000180970_100000210202 [0,2,0,0,0,0|2,0,0]=4 2774 B16R1.1147 CCC(=O)CCC(=O)Nc1ccc(cc1)O 1458a_200000180990_100000210202 [0,2,0,0,0,0|2,0,0]=4 2775 B16R1.1147 CCC(=O)NCC(=O)Cc1ccc(cc1)Br 1458a_100000194589_100000189115 [0,2,0,0,0,0|1,0,1]=4 2776 B16R1.1147 CCC(=O)NCC(=O)Cc1ccc(cc1)C 1458a_100000194589_100000210814 [0,2,0,0,0,0|1,0,1]=4 2777 B16R1.1147 CCC(=O)NCC(=O)Cc1ccc(cc1)Cl 1458a_100000194589_100000694040 [0,2,0,0,0,0|1,0,1]=4 2778 B16R1.1147 CCC(=O)NCC(=O)Cc1ccc(cc1)F 1458a_100000194589_100000198546 [0,2,0,0,0,0|1,0,1]=4 2779 B16R1.1147 CCC(=O)NCC(=O)Cc1ccc(cc1)I 1458a_100000194589_100000189116 [0,2,0,0,0,0|1,0,1]=4 2780 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000194589 [0,2,0,0,0,0|2,0,0]=4 2781 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 11a_100000741985_100000210414 [0,2,0,0,0,0|2,0,0]=4 2782 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000194589 [0,2,0,0,0,0|2,0,0]=4 2783 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 1626a_100000741985_100000210414 [0,2,0,0,0,0|2,0,0]=4 2784 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000194589 [0,2,0,0,0,0|2,0,0]=4 2785 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 240690a_100000741985_100000210414 [0,2,0,0,0,0|2,0,0]=4 2786 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000194589 [0,2,0,0,0,0|2,0,0]=4 2787 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Br 527a_100000741985_100000210414 [0,2,0,0,0,0|2,0,0]=4 2788 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000194589 [0,2,0,0,0,0|2,0,0]=4 2789 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000194589 [0,2,0,0,0,0|2,0,0]=4 2790 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000194589 [0,2,0,0,0,0|2,0,0]=4 2791 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000194589 [0,2,0,0,0,0|2,0,0]=4 2792 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000194589 [0,2,0,0,0,0|2,0,0]=4 2793 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000194589 [0,2,0,0,0,0|2,0,0]=4 2794 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000194589 [0,2,0,0,0,0|2,0,0]=4 2795 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000194589 [0,2,0,0,0,0|2,0,0]=4 2796 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000194589 [0,2,0,0,0,0|2,0,0]=4 2797 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 11a_100025683178_100000210414 [0,2,0,0,0,0|2,0,0]=4 2798 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000194589 [0,2,0,0,0,0|2,0,0]=4 2799 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 1626a_100025683178_100000210414 [0,2,0,0,0,0|2,0,0]=4 2800 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000194589 [0,2,0,0,0,0|2,0,0]=4 2801 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 240690a_100025683178_100000210414 [0,2,0,0,0,0|2,0,0]=4 2802 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000194589 [0,2,0,0,0,0|2,0,0]=4 2803 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)F 527a_100025683178_100000210414 [0,2,0,0,0,0|2,0,0]=4 2804 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000194589 [0,2,0,0,0,0|2,0,0]=4 2805 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000194589 [0,2,0,0,0,0|2,0,0]=4 2806 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000194589 [0,2,0,0,0,0|2,0,0]=4 2807 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000194589 [0,2,0,0,0,0|2,0,0]=4 2808 B16R1.1147 CCC(=O)NCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000194589 [0,2,0,0,0,0|2,0,0]=4 2809 B16R1.360 CCC(C)(C)OC/C(=C/c1ccccc1)/C 7a_200025717232_100000210677 [0,2,0,0,0,0|1,0,1]=4 2810 B16R1.3102 C#CC(C)(CC)OC/C=C/c1ccccc1 34a_100000686493_100016265936 [0,2,0,0,0,0|1,0,1]=4 2811 B16R1.3102 C#CC(C)(CC)OC/C=C/c1ccccc1 7a_100000686493_100016265936 [0,2,0,0,0,0|1,0,1]=4 2812 B16R1.3102 CCC(C)(C#N)OC/C=C/c1ccccc1 7a_100000760259_100016265936 [0,2,0,0,0,0|1,0,1]=4 2813 B16R1.3102 CCC(C)(CC)OC/C=C/c1ccccc1 7a_100000755174_100016265936 [0,2,0,0,0,0|1,0,1]=4 2814 B16R1.3960 CC(C)(CCBr)OC/C=C/c1ccccc1 7a_100000702414_100016265936 [0,2,0,0,0,0|1,0,1]=4 2815 B16R1.3960 CCCC(C)(C)OC/C=C/c1ccccc1 7a_100000748436_100016265936 [0,2,0,0,0,0|1,0,1]=4 2816 B16R1.3960 CCCS(=O)(=O)NC/C=C/c1ccccc1 270084a_100020603302_100000211391 [0,2,0,0,0,0|2,0,0]=4 2817 B16R1.3960 CCCS(=O)(=O)NC/C=C/c1ccccc1 274078a_100020603302_100000211391 [0,2,0,0,0,0|2,0,0]=4 2818 B16R1.3960 CCCS(=O)(=O)NC/C=C/c1ccccc1 40a_100020603302_100000054278 [0,2,0,0,0,0|2,0,0]=4 2819 B16R1.3960 O=S(=O)(CCBr)NC/C=C/c1ccccc1 270084a_100020603302_100000731045 [0,2,0,0,0,0|2,0,0]=4 2820 B16R1.3960 O=S(=O)(CCBr)NC/C=C/c1ccccc1 274078a_100020603302_100000731045 [0,2,0,0,0,0|2,0,0]=4 2821 B16R1.3960 O=S(=O)(CCCl)NC/C=C/c1ccccc1 270084a_100020603302_100000184613 [0,2,0,0,0,0|2,0,0]=4 2822 B16R1.3960 O=S(=O)(CCCl)NC/C=C/c1ccccc1 274078a_100020603302_100000184613 [0,2,0,0,0,0|2,0,0]=4 2823 B16R1.12253 CC(C)C(C)(C)OC/C=C/c1ccccc1 7a_100011215261_100016265936 [0,2,0,0,0,0|1,0,1]=4 2824 B16R1.12253 CC(C)S(=O)(=O)NC/C=C/c1ccccc1 270084a_100020603302_100000742656 [0,2,0,0,0,0|2,0,0]=4 2825 B16R1.12253 CC(C)S(=O)(=O)NC/C=C/c1ccccc1 274078a_100020603302_100000742656 [0,2,0,0,0,0|2,0,0]=4 2826 B16R1.146 C#CC(CCC)OC/C=C/c1ccccc1 34a_200011217317_100016265936 [0,2,0,0,0,0|1,0,1]=4 2827 B16R1.146 C#CC(CCC)OC/C=C/c1ccccc1 7a_200011217317_100016265936 [0,2,0,0,0,0|1,0,1]=4 2828 B16R1.146 C#CCC(CC)OC/C=C/c1ccccc1 34a_200011217983_100016265936 [0,2,0,0,0,0|1,0,1]=4 2829 B16R1.146 C#CCC(CC)OC/C=C/c1ccccc1 7a_200011217983_100016265936 [0,2,0,0,0,0|1,0,1]=4 2830 B16R1.146 C=CC(CCC)OC/C=C/c1ccccc1 34a_100011216692_100016265936 [0,2,0,0,0,0|1,0,1]=4 2831 B16R1.146 C=CC(CCC)OC/C=C/c1ccccc1 7a_100011216692_100016265936 [0,2,0,0,0,0|1,0,1]=4 2832 B16R1.146 CC#CC(CC)OC/C=C/c1ccccc1 34a_200011219922_100016265936 [0,2,0,0,0,0|1,0,1]=4 2833 B16R1.146 CC#CC(CC)OC/C=C/c1ccccc1 7a_200011219922_100016265936 [0,2,0,0,0,0|1,0,1]=4 2834 B16R1.146 CCC(COC)OC/C=C/c1ccccc1 7a_200011214946_100016265936 [0,2,0,0,0,0|0,0,2]=4 2835 B16R1.146 CCCC(C#N)OC/C=C/c1ccccc1 34a_100000686963_100016265936 [0,2,0,0,0,0|1,0,1]=4 2836 B16R1.146 CCCC(C#N)OC/C=C/c1ccccc1 7a_100000686963_100016265936 [0,2,0,0,0,0|1,0,1]=4 2837 B16R1.146 CCCC(CC)OC/C=C/c1ccccc1 34a_100000687864_100016265936 [0,2,0,0,0,0|1,0,1]=4 2838 B16R1.146 CCCC(CC)OC/C=C/c1ccccc1 7a_100000687864_100016265936 [0,2,0,0,0,0|1,0,1]=4 2839 B16R1.146 COCC(CCl)OC/C=C/c1ccccc1 34a_100011215053_100016265936 [0,2,0,0,0,0|1,0,1]=4 2840 B16R1.146 COCC(CN)OC/C=C/c1ccccc1 34a_100000756049_100016265936 [0,2,0,0,0,0|1,0,1]=4 2841 B16R1.560 CCC(CC)OC/C(=C/c1ccccc1)/C 7a_200025717232_100000210505 [0,2,0,0,0,0|1,0,1]=4 2842 B16R1.3018 C#CC(OC/C=C/c1ccccc1)C(C)C 34a_100011217124_100016265936 [0,2,0,0,0,0|1,0,1]=4 2843 B16R1.3018 C#CC(OC/C=C/c1ccccc1)C(C)C 7a_100011217124_100016265936 [0,2,0,0,0,0|1,0,1]=4 2844 B16R1.3018 C=CC(OC/C=C/c1ccccc1)C(C)C 34a_100000732651_100016265936 [0,2,0,0,0,0|1,0,1]=4 2845 B16R1.3018 C=CC(OC/C=C/c1ccccc1)C(C)C 7a_100000732651_100016265936 [0,2,0,0,0,0|1,0,1]=4 2846 B16R1.3018 CC(C)C(C#N)OC/C=C/c1ccccc1 34a_100000748901_100016265936 [0,2,0,0,0,0|1,0,1]=4 2847 B16R1.3018 CC(C)C(C#N)OC/C=C/c1ccccc1 7a_100000748901_100016265936 [0,2,0,0,0,0|1,0,1]=4 2848 B16R1.3018 CC(C)C(CN)OC/C=C/c1ccccc1 34a_100000759067_100016265936 [0,2,0,0,0,0|1,0,1]=4 2849 B16R1.3018 CCC(NC/C=C/c1ccccc1)C(=O)N 2230a_100000733705_100016265936 [0,2,0,0,0,0|1,0,1]=4 2850 B16R1.3018 CCC(NC/C=C/c1ccccc1)C(=O)N 2230a_100020603302_100000750255 [0,2,0,0,0,0|1,0,1]=4 2851 B16R1.3018 CCC(NC/C=C/c1ccccc1)C(=O)N 34a_100000733705_100016265936 [0,2,0,0,0,0|1,0,1]=4 2852 B16R1.3018 CCC(NC/C=C/c1ccccc1)C(=O)N 34a_100020603302_100000750255 [0,2,0,0,0,0|1,0,1]=4 2853 B16R1.3018 CCC(OC/C=C/c1ccccc1)C(=O)N 34a_100000210256_100000750255 [0,2,0,0,0,0|0,0,1]=3 2854 B16R1.3018 CCC(OC/C=C/c1ccccc1)C(C)C 34a_100011218073_100016265936 [0,2,0,0,0,0|1,0,1]=4 2855 B16R1.3018 CCC(OC/C=C/c1ccccc1)C(C)C 7a_100011218073_100016265936 [0,2,0,0,0,0|1,0,1]=4 2856 B16R1.3018 CCC(OC/C=C/c1cccnc1)C(=O)N 34a_200102594124_100000750255 [0,2,0,0,0,0|1,0,1]=4 2857 B16R1.3018 CCC(SC/C=C/c1ccccc1)C(=O)N 62a_100000750255_100016265936 [0,2,0,0,0,0|0,1,1]=4 2858 B16R1.3018 CCC(SC/C=C/c1ccccc1)C(=O)N 62a_100016265936_100000750255 [0,2,0,0,0,0|0,1,1]=4 2859 B16R1.3018 CC[C@@H](NC/C=C/c1ccccc1)C(=O)O 269956a_100000747097_100016265936 [0,2,0,0,0,0|1,0,1]=4 2860 B16R1.847 CCC(=O)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000747405 [0,2,0,0,0,0|1,0,1]=4 2861 B16R1.847 CCC(=O)CC(C)NC(=O)c1ccccc1 1458a_100000195627_100000210202 [0,2,0,0,0,0|2,0,0]=4 2862 B16R1.851 CCC(=O)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000747405 [0,2,0,0,0,0|1,0,1]=4 2863 B16R1.851 CCC(=O)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000747405 [0,2,0,0,0,0|1,0,1]=4 2864 B16R1.851 CCC(=O)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000747405 [0,2,0,0,0,0|1,0,1]=4 2865 B16R1.851 CCC(=O)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000747405 [0,2,0,0,0,0|1,0,1]=4 2866 B16R1.851 CCC(=O)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000747405 [0,2,0,0,0,0|1,0,1]=4 2867 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000747405 [0,2,0,0,0,0|1,0,1]=4 2868 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000747405 [0,2,0,0,0,0|1,0,1]=4 2869 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000747405 [0,2,0,0,0,0|1,0,1]=4 2870 B16R1.853 CCC(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000747405 [0,2,0,0,0,0|1,0,1]=4 2871 B16R1.1127 CCC(=O)CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000747405 [0,2,0,0,0,0|1,0,1]=4 2872 B16R1.1127 CCC(=O)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000747405 [0,2,0,0,0,0|1,0,1]=4 2873 B16R1.1127 CCC(=O)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000747405 [0,2,0,0,0,0|1,0,1]=4 2874 B16R1.1127 CCC(=O)NC(C)C(=O)Cc1ccccc1 1458a_100000194823_100015291786 [0,2,0,0,0,0|1,0,1]=4 2875 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 11a_100000106764_100000194823 [0,2,0,0,0,0|2,0,0]=4 2876 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 11a_100000754830_100000210414 [0,2,0,0,0,0|2,0,0]=4 2877 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000194823 [0,2,0,0,0,0|2,0,0]=4 2878 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 1626a_100000754830_100000210414 [0,2,0,0,0,0|2,0,0]=4 2879 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 22a_100000106764_100000194823 [0,2,0,0,0,0|2,0,0]=4 2880 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 240690a_100000754830_100000210414 [0,2,0,0,0,0|2,0,0]=4 2881 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 527a_100000106764_100000194823 [0,2,0,0,0,0|2,0,0]=4 2882 B16R1.1127 CCC(=O)NC(C)C(=O)Nc1ccccc1 527a_100000754830_100000210414 [0,2,0,0,0,0|2,0,0]=4 2883 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747444 [0,2,0,0,0,0|1,0,1]=4 2884 B16R1.1570 CCNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183381 [0,2,0,0,0,0|1,0,1]=4 2885 B16R1.1570 CCOC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000188475 [0,2,0,0,0,0|1,0,1]=4 2886 B16R1.1570 CCOC(=O)OC(C)SCc1ccccc1 62a_100000036008_100015291786 [0,2,0,0,0,0|1,0,1]=4 2887 B16R1.1570 CCOC(=O)OC(C)SCc1ccccc1 62a_100000211182_100000036008 [0,2,0,0,0,0|1,0,1]=4 2888 B16R1.1672 CCC(=O)C(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000742827 [0,2,0,0,0,0|1,0,1]=4 2889 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000753385 [0,2,0,0,0,0|1,0,1]=4 2890 B16R1.889 CCCC(=O)OCNCc1ccccc1Br 2230a_100000689332_100000034017 [0,2,0,0,0,0|1,0,1]=4 2891 B16R1.889 CCCC(=O)OCNCc1ccccc1Br 34a_100000689332_100000034017 [0,2,0,0,0,0|1,0,1]=4 2892 B16R1.889 CCCC(=O)OCNCc1ccccc1C 34a_100000174972_100000034017 [0,2,0,0,0,0|1,0,1]=4 2893 B16R1.889 CCCC(=O)OCNCc1ccccc1Cl 2230a_100000174879_100000034017 [0,2,0,0,0,0|1,0,1]=4 2894 B16R1.889 CCCC(=O)OCNCc1ccccc1Cl 34a_100000174879_100000034017 [0,2,0,0,0,0|1,0,1]=4 2895 B16R1.889 CCCC(=O)OCNCc1ccccc1F 34a_100000174869_100000034017 [0,2,0,0,0,0|1,0,1]=4 2896 B16R1.889 CCCC(=O)OCNCc1ccccc1O 34a_100000185550_100000034017 [0,2,0,0,0,0|1,0,1]=4 2897 B16R1.889 CCCC(=O)OCOCc1ccccc1Br 34a_100000756307_100000034017 [0,2,0,0,0,0|1,0,1]=4 2898 B16R1.889 CCCC(=O)OCOCc1ccccc1C 34a_100000698903_100000034017 [0,2,0,0,0,0|1,0,1]=4 2899 B16R1.889 CCCC(=O)OCOCc1ccccc1Cl 34a_100000210847_100000034017 [0,2,0,0,0,0|1,0,1]=4 2900 B16R1.889 CCCC(=O)OCOCc1ccccc1F 34a_100000211962_100000034017 [0,2,0,0,0,0|1,0,1]=4 2901 B16R1.889 CCCC(=O)OCOCc1ccccc1I 34a_100000187465_100000034017 [0,2,0,0,0,0|1,0,1]=4 2902 B16R1.889 CCCC(=O)OCOCc1ccccc1N 34a_100000212039_100000034017 [0,2,0,0,0,0|1,0,1]=4 2903 B16R1.889 CCCC(=O)OCSCc1ccccc1Br 62a_100000184730_100000034017 [0,2,0,0,0,0|1,0,1]=4 2904 B16R1.889 CCCC(=O)OCSCc1ccccc1C 62a_100000211839_100000034017 [0,2,0,0,0,0|1,0,1]=4 2905 B16R1.889 CCCC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000034017 [0,2,0,0,0,0|1,0,1]=4 2906 B16R1.889 CCCC(=O)OCSCc1ccccc1F 62a_100000211605_100000034017 [0,2,0,0,0,0|1,0,1]=4 2907 B16R1.889 CCCC(=O)OCSCc1ccccc1I 62a_100011216222_100000034017 [0,2,0,0,0,0|1,0,1]=4 2908 B16R1.889 CCOC(=O)OCSCc1ccccc1Br 62a_100000184730_100000075025 [0,2,0,0,0,0|1,0,1]=4 2909 B16R1.889 CCOC(=O)OCSCc1ccccc1C 62a_100000211839_100000075025 [0,2,0,0,0,0|1,0,1]=4 2910 B16R1.889 CCOC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000075025 [0,2,0,0,0,0|1,0,1]=4 2911 B16R1.889 CCOC(=O)OCSCc1ccccc1F 62a_100000211605_100000075025 [0,2,0,0,0,0|1,0,1]=4 2912 B16R1.889 CCOC(=O)OCSCc1ccccc1I 62a_100011216222_100000075025 [0,2,0,0,0,0|1,0,1]=4 2913 B16R1.905 CCCC(=O)OCNCc1cccc(c1)Br 2230a_100000174977_100000034017 [0,2,0,0,0,0|1,0,1]=4 2914 B16R1.905 CCCC(=O)OCNCc1cccc(c1)Br 34a_100000174977_100000034017 [0,2,0,0,0,0|1,0,1]=4 2915 B16R1.905 CCCC(=O)OCNCc1cccc(c1)C 2230a_100000185548_100000034017 [0,2,0,0,0,0|1,0,1]=4 2916 B16R1.905 CCCC(=O)OCNCc1cccc(c1)C 34a_100000185548_100000034017 [0,2,0,0,0,0|1,0,1]=4 2917 B16R1.905 CCCC(=O)OCNCc1cccc(c1)Cl 2230a_100000174878_100000034017 [0,2,0,0,0,0|1,0,1]=4 2918 B16R1.905 CCCC(=O)OCNCc1cccc(c1)Cl 34a_100000174878_100000034017 [0,2,0,0,0,0|1,0,1]=4 2919 B16R1.905 CCCC(=O)OCNCc1cccc(c1)F 2230a_100000174948_100000034017 [0,2,0,0,0,0|1,0,1]=4 2920 B16R1.905 CCCC(=O)OCNCc1cccc(c1)F 34a_100000174948_100000034017 [0,2,0,0,0,0|1,0,1]=4 2921 B16R1.905 CCCC(=O)OCNCc1cccc(c1)I 2230a_100000106179_100000034017 [0,2,0,0,0,0|1,0,1]=4 2922 B16R1.905 CCCC(=O)OCNCc1cccc(c1)I 34a_100000106179_100000034017 [0,2,0,0,0,0|1,0,1]=4 2923 B16R1.905 CCCC(=O)OCNCc1cccc(c1)O 2230a_100000743036_100000034017 [0,2,0,0,0,0|1,0,1]=4 2924 B16R1.905 CCCC(=O)OCNCc1cccc(c1)O 34a_100000743036_100000034017 [0,2,0,0,0,0|1,0,1]=4 2925 B16R1.905 CCCC(=O)OCOCc1cccc(c1)Br 34a_100000687537_100000034017 [0,2,0,0,0,0|1,0,1]=4 2926 B16R1.905 CCCC(=O)OCOCc1cccc(c1)C 34a_100011217746_100000034017 [0,2,0,0,0,0|1,0,1]=4 2927 B16R1.905 CCCC(=O)OCOCc1cccc(c1)Cl 34a_100000241301_100000034017 [0,2,0,0,0,0|1,0,1]=4 2928 B16R1.905 CCCC(=O)OCOCc1cccc(c1)F 34a_100000210976_100000034017 [0,2,0,0,0,0|1,0,1]=4 2929 B16R1.905 CCCC(=O)OCOCc1cccc(c1)I 34a_100011215336_100000034017 [0,2,0,0,0,0|1,0,1]=4 2930 B16R1.905 CCCC(=O)OCOCc1cccc(c1)N 34a_100000211919_100000034017 [0,2,0,0,0,0|1,0,1]=4 2931 B16R1.905 CCCC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000034017 [0,2,0,0,0,0|1,0,1]=4 2932 B16R1.905 CCCC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000034017 [0,2,0,0,0,0|1,0,1]=4 2933 B16R1.905 CCCC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000034017 [0,2,0,0,0,0|1,0,1]=4 2934 B16R1.905 CCCC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000034017 [0,2,0,0,0,0|1,0,1]=4 2935 B16R1.905 CCCC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000034017 [0,2,0,0,0,0|1,0,1]=4 2936 B16R1.905 CCCC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000034017 [0,2,0,0,0,0|1,0,1]=4 2937 B16R1.905 CCOC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000075025 [0,2,0,0,0,0|1,0,1]=4 2938 B16R1.905 CCOC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000075025 [0,2,0,0,0,0|1,0,1]=4 2939 B16R1.905 CCOC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000075025 [0,2,0,0,0,0|1,0,1]=4 2940 B16R1.905 CCOC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000075025 [0,2,0,0,0,0|1,0,1]=4 2941 B16R1.905 CCOC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000075025 [0,2,0,0,0,0|1,0,1]=4 2942 B16R1.905 CCOC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000075025 [0,2,0,0,0,0|1,0,1]=4 2943 B16R1.929 C=C(CCCC(=O)CCC)c1ccccc1 1458a_200009911520_100000210303 [0,2,0,0,0,0|1,0,1]=4 2944 B16R1.929 C=C(CCCC(=O)CCF)c1ccccc1 1458a_200009911520_100011217306 [0,2,0,0,0,0|1,0,1]=4 2945 B16R1.929 C=C(CCCC(=O)CCO)c1ccccc1 1458a_200009911520_100000211926 [0,2,0,0,0,0|1,0,1]=4 2946 B16R1.929 C=C(CCCC(=O)NCC)c1ccccc1 11a_100015525214_200009911520 [0,2,0,0,0,0|1,0,1]=4 2947 B16R1.929 C=C(CCCC(=O)NCC)c1ccccc1 240690a_100015525214_200009911520 [0,2,0,0,0,0|1,0,1]=4 2948 B16R1.929 C=C(CCCC(=O)NCC)c1ccccc1 527a_100015525214_200009911520 [0,2,0,0,0,0|1,0,1]=4 2949 B16R1.929 CCCC(=O)CCCC(=O)c1ccccc1 1458a_100000211992_100000211006 [0,2,0,0,0,0|1,0,1]=4 2950 B16R1.929 CCCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210303 [0,2,0,0,0,0|2,0,0]=4 2951 B16R1.929 CCCC(=O)CCNC(=O)c1ccccc1 1458a_100000211992_200011215302 [0,2,0,0,0,0|2,0,0]=4 2952 B16R1.929 CCCC(=O)CCOC(=O)c1ccccc1 1458a_100000211992_100000184176 [0,2,0,0,0,0|2,0,0]=4 2953 B16R1.929 CCCC(=O)OCN[C@H](C)c1ccccc1 2230a_100000751104_100000034017 [0,2,0,0,0,0|1,0,1]=4 2954 B16R1.929 CCCC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_100000034017 [0,2,0,0,0,0|1,0,1]=4 2955 B16R1.929 CCCC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000034017 [0,2,0,0,0,0|1,0,1]=4 2956 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 11a_100015525214_100000182757 [0,2,0,0,0,0|2,0,0]=4 2957 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 11a_100025743525_100000185807 [0,2,0,0,0,0|2,0,0]=4 2958 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 1626a_100025743525_100000185807 [0,2,0,0,0,0|2,0,0]=4 2959 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 240690a_100015525214_100000182757 [0,2,0,0,0,0|2,0,0]=4 2960 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 240690a_100025743525_100000185807 [0,2,0,0,0,0|2,0,0]=4 2961 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 527a_100015525214_100000182757 [0,2,0,0,0,0|2,0,0]=4 2962 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 527a_100025743525_100000185807 [0,2,0,0,0,0|2,0,0]=4 2963 B16R1.929 CCOC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215271 [0,2,0,0,0,0|1,0,1]=4 2964 B16R1.929 CCOC(=O)CCNC(=O)c1ccccc1 188690a_100000746078_100000185807 [0,2,0,0,0,0|2,0,0]=4 2965 B16R1.929 CCOC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_200011445536 [0,2,0,0,0,0|1,0,1]=4 2966 B16R1.929 CCOC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000075025 [0,2,0,0,0,0|1,0,1]=4 2967 B16R1.929 COCC(=O)CCCC(=O)c1ccccc1 1458a_100000210968_100000211006 [0,2,0,0,0,0|1,0,1]=4 2968 B16R1.929 COCC(=O)CCNC(=O)c1ccccc1 1458a_100000210968_200011215302 [0,2,0,0,0,0|2,0,0]=4 2969 B16R1.929 COCC(=O)CCOC(=O)c1ccccc1 1458a_100000210968_100000184176 [0,2,0,0,0,0|2,0,0]=4 2970 B16R1.929 CSCC(=O)CCCC(=O)c1ccccc1 1458a_100000184570_100000211006 [0,2,0,0,0,0|1,0,1]=4 2971 B16R1.929 CSCC(=O)CCNC(=O)c1ccccc1 1458a_100000184570_200011215302 [0,2,0,0,0,0|2,0,0]=4 2972 B16R1.929 CSCC(=O)CCOC(=O)c1ccccc1 1458a_100000184570_100000184176 [0,2,0,0,0,0|2,0,0]=4 2973 B16R1.929 O=C(CCF)CCNC(=O)c1ccccc1 1458a_100000182757_100011217306 [0,2,0,0,0,0|2,0,0]=4 2974 B16R1.929 O=C(CCO)CCCC(=O)c1ccccc1 1458a_100011216618_100000211006 [0,2,0,0,0,0|1,0,1]=4 2975 B16R1.929 O=C(CCO)CCNC(=O)c1ccccc1 1458a_100000182757_100000211926 [0,2,0,0,0,0|2,0,0]=4 2976 B16R1.929 O=C(CCO)CCNC(=O)c1ccccc1 1458a_100011216618_200011215302 [0,2,0,0,0,0|2,0,0]=4 2977 B16R1.929 O=C(CCO)CCOC(=O)c1ccccc1 1458a_100011216618_100000184176 [0,2,0,0,0,0|2,0,0]=4 2978 B16R1.934 C/C(=C\c1ccccc1)/COC(C)CCO 34a_200025717232_100009893172 [0,2,0,0,0,0|1,0,1]=4 2979 B16R1.934 C/C(=C\c1ccccc1)/COC(C)CCO 7a_200025717232_100009893172 [0,2,0,0,0,0|1,0,1]=4 2980 B16R1.934 CCCC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_100000210303 [0,2,0,0,0,0|2,0,0]=4 2981 B16R1.934 CCCC(=O)CCC(=O)Nc1ccccc1 1458a_100000211992_100000242058 [0,2,0,0,0,0|2,0,0]=4 2982 B16R1.934 CCCC(=O)CCC(=O)Oc1ccccc1 1458a_100000211992_200000035796 [0,2,0,0,0,0|2,0,0]=4 2983 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000211992 [0,2,0,0,0,0|2,0,0]=4 2984 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000211992 [0,2,0,0,0,0|2,0,0]=4 2985 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000211992 [0,2,0,0,0,0|2,0,0]=4 2986 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000211992 [0,2,0,0,0,0|2,0,0]=4 2987 B16R1.934 CCCC(=O)OCC(=O)C[n+]1ccccc1 1458a_200000086051_100000034017 [0,2,0,0,0,0|1,0,1]=4 2988 B16R1.934 CCCC(=O)OCC(=O)Cc1ccccn1 1458a_100000233486_100000034017 [0,2,0,0,0,0|1,0,1]=4 2989 B16R1.934 CCCC(=O)OCC(=O)Cc1cccnc1 1458a_100000737805_100000034017 [0,2,0,0,0,0|1,0,1]=4 2990 B16R1.934 CCCC(=O)OCN(C)Cc1ccccc1 2230a_100000186898_100000034017 [0,2,0,0,0,0|1,0,1]=4 2991 B16R1.934 CCCC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_100000034017 [0,2,0,0,0,0|1,0,1]=4 2992 B16R1.934 CCCC(C)OC/C(=C/c1ccccc1)/C 34a_200025717232_100000766640 [0,2,0,0,0,0|1,0,1]=4 2993 B16R1.934 CCCC(C)OC/C(=C/c1ccccc1)/C 7a_200025717232_100000766640 [0,2,0,0,0,0|1,0,1]=4 2994 B16R1.934 CCNC(=O)CCC(=O)Cc1ccccc1 1458a_100000199579_100015291786 [0,2,0,0,0,0|1,0,1]=4 2995 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100000199579 [0,2,0,0,0,0|2,0,0]=4 2996 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 11a_100015525214_100000180958 [0,2,0,0,0,0|2,0,0]=4 2997 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000199579 [0,2,0,0,0,0|2,0,0]=4 2998 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100000199579 [0,2,0,0,0,0|2,0,0]=4 2999 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 240690a_100015525214_100000180958 [0,2,0,0,0,0|2,0,0]=4 3000 B16R1.934 CCNC(=O)NCC(=O)Nc1ccccc1 2708a_100015525214_100000742222 [0,2,0,0,0,0|2,0,0]=4 3001 B16R1.934 CCNC(=O)NCC(=O)Nc1ccccc1 273464a_100015525214_100000742222 [0,2,0,0,0,0|2,0,0]=4 3002 B16R1.934 CCNC(=O)NCC(=O)Nc1ccccc1 512a_100015525214_100000742222 [0,2,0,0,0,0|2,0,0]=4 3003 B16R1.934 CCOC(=O)CCC(=O)Cc1ccccc1 1458a_100000183558_100015291786 [0,2,0,0,0,0|1,0,1]=4 3004 B16R1.934 CCOC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100000183558 [0,2,0,0,0,0|2,0,0]=4 3005 B16R1.934 CCOC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000183558 [0,2,0,0,0,0|2,0,0]=4 3006 B16R1.934 CCOC(=O)NCC(=O)Cc1ccccc1 1458a_100000190774_100015291786 [0,2,0,0,0,0|1,0,1]=4 3007 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000190774 [0,2,0,0,0,0|2,0,0]=4 3008 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000190774 [0,2,0,0,0,0|2,0,0]=4 3009 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000190774 [0,2,0,0,0,0|2,0,0]=4 3010 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000190774 [0,2,0,0,0,0|2,0,0]=4 3011 B16R1.934 COCC(=O)CCC(=O)Nc1ccccc1 1458a_100000210968_100000242058 [0,2,0,0,0,0|2,0,0]=4 3012 B16R1.934 COCC(=O)CCC(=O)Oc1ccccc1 1458a_100000210968_200000035796 [0,2,0,0,0,0|2,0,0]=4 3013 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000210968 [0,2,0,0,0,0|2,0,0]=4 3014 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000210968 [0,2,0,0,0,0|2,0,0]=4 3015 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000210968 [0,2,0,0,0,0|2,0,0]=4 3016 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000210968 [0,2,0,0,0,0|2,0,0]=4 3017 B16R1.934 COCC(C)OC/C(=C/c1ccccc1)/C 34a_200025717232_100000765312 [0,2,0,0,0,0|1,0,1]=4 3018 B16R1.934 COCC(C)OC/C(=C/c1ccccc1)/C 7a_200025717232_100000765312 [0,2,0,0,0,0|1,0,1]=4 3019 B16R1.934 CSCC(=O)CCC(=O)Nc1ccccc1 1458a_100000184570_100000242058 [0,2,0,0,0,0|2,0,0]=4 3020 B16R1.934 CSCC(=O)CCC(=O)Oc1ccccc1 1458a_100000184570_200000035796 [0,2,0,0,0,0|2,0,0]=4 3021 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000184570 [0,2,0,0,0,0|2,0,0]=4 3022 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000184570 [0,2,0,0,0,0|2,0,0]=4 3023 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000184570 [0,2,0,0,0,0|2,0,0]=4 3024 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000184570 [0,2,0,0,0,0|2,0,0]=4 3025 B16R1.934 O=C(CCF)CCC(=O)Nc1ccccc1 1458a_100000180958_100011217306 [0,2,0,0,0,0|2,0,0]=4 3026 B16R1.934 O=C(CCO)CCC(=O)Nc1ccccc1 1458a_100000180958_100000211926 [0,2,0,0,0,0|2,0,0]=4 3027 B16R1.934 O=C(CCO)CCC(=O)Nc1ccccc1 1458a_100011216618_100000242058 [0,2,0,0,0,0|2,0,0]=4 3028 B16R1.934 O=C(CCO)CCC(=O)Oc1ccccc1 1458a_100011216618_200000035796 [0,2,0,0,0,0|2,0,0]=4 3029 B16R1.934 O=C(CCO)NCC(=O)Nc1ccccc1 240690a_100000742222_100011216618 [0,2,0,0,0,0|2,0,0]=4 3030 B16R1.1465 C#CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000753159 [0,2,0,0,0,0|1,0,1]=4 3031 B16R1.1465 C#CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000692101 [0,2,0,0,0,0|1,0,0]=3 3032 B16R1.1465 C#CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000692101 [0,2,0,0,0,0|1,0,0]=3 3033 B16R1.1465 C#CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000692101 [0,2,0,0,0,0|1,0,0]=3 3034 B16R1.1465 C#CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000692101 [0,2,0,0,0,0|1,0,0]=3 3035 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 2708a_100000212058_100020603302 [0,2,0,0,0,0|1,0,1]=4 3036 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000212058 [0,2,0,0,0,0|1,0,1]=4 3037 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 273464a_100000212058_100020603302 [0,2,0,0,0,0|1,0,1]=4 3038 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000212058 [0,2,0,0,0,0|1,0,1]=4 3039 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 512a_100000212058_100020603302 [0,2,0,0,0,0|1,0,1]=4 3040 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000212058 [0,2,0,0,0,0|1,0,1]=4 3041 B16R1.1465 C/C=C/CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100102629194 [0,2,0,0,0,0|1,0,1]=4 3042 B16R1.1465 C=CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000754431 [0,2,0,0,0,0|1,0,1]=4 3043 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000749702 [0,2,0,0,0,0|1,0,0]=3 3044 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000749702 [0,2,0,0,0,0|1,0,0]=3 3045 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000749702 [0,2,0,0,0,0|1,0,0]=3 3046 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000749702 [0,2,0,0,0,0|1,0,0]=3 3047 B16R1.1465 C=CCCC(C)OC/C=C/c1ccccc1 34a_100000765329_100016265936 [0,2,0,0,0,0|1,0,1]=4 3048 B16R1.1465 C=CCCC(C)OC/C=C/c1ccccc1 7a_100000765329_100016265936 [0,2,0,0,0,0|1,0,1]=4 3049 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100020586998 [0,2,0,0,0,0|1,0,1]=4 3050 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 273464a_100020586998_100020603302 [0,2,0,0,0,0|1,0,1]=4 3051 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100020586998 [0,2,0,0,0,0|1,0,1]=4 3052 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 512a_100020586998_100020603302 [0,2,0,0,0,0|1,0,1]=4 3053 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100020586998 [0,2,0,0,0,0|1,0,1]=4 3054 B16R1.1465 CC#CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000748600 [0,2,0,0,0,0|1,0,1]=4 3055 B16R1.1465 CC(CCCCl)OC/C=C/c1ccccc1 34a_200000718107_100016265936 [0,2,0,0,0,0|1,0,1]=4 3056 B16R1.1465 CC(CCCCl)OC/C=C/c1ccccc1 7a_200000718107_100016265936 [0,2,0,0,0,0|1,0,1]=4 3057 B16R1.1465 CC=CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000070051 [0,2,0,0,0,0|1,0,1]=4 3058 B16R1.1465 CC=CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100121576822 [0,2,0,0,0,0|1,0,0]=3 3059 B16R1.1465 CC=CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100121576822 [0,2,0,0,0,0|1,0,0]=3 3060 B16R1.1465 CC=CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100121576822 [0,2,0,0,0,0|1,0,0]=3 3061 B16R1.1465 CC=CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100121576822 [0,2,0,0,0,0|1,0,0]=3 3062 B16R1.1465 CCC#CC(C)OC/C=C/c1ccccc1 34a_100000033903_100016265936 [0,2,0,0,0,0|1,0,1]=4 3063 B16R1.1465 CCC#CC(C)OC/C=C/c1ccccc1 7a_100000033903_100016265936 [0,2,0,0,0,0|1,0,1]=4 3064 B16R1.1465 CCC=CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000212282 [0,2,0,0,0,0|1,0,0]=3 3065 B16R1.1465 CCC=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000212282 [0,2,0,0,0,0|1,0,0]=3 3066 B16R1.1465 CCC=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000212282 [0,2,0,0,0,0|1,0,0]=3 3067 B16R1.1465 CCCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210211 [0,2,0,0,0,0|1,0,1]=4 3068 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210183 [0,2,0,0,0,0|1,0,0]=3 3069 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210183 [0,2,0,0,0,0|1,0,0]=3 3070 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210183 [0,2,0,0,0,0|1,0,0]=3 3071 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210183 [0,2,0,0,0,0|1,0,0]=3 3072 B16R1.1465 CCCCC(C)OC/C=C/c1ccccc1 34a_100000210256_200011215066 [0,2,0,0,0,0|1,0,1]=4 3073 B16R1.1465 CCCCC(C)OC/C=C/c1ccccc1 34a_100000687866_100016265936 [0,2,0,0,0,0|1,0,1]=4 3074 B16R1.1465 CCCCC(C)OC/C=C/c1ccccc1 7a_100000687866_100016265936 [0,2,0,0,0,0|1,0,1]=4 3075 B16R1.1465 CCCNC(=O)C=C/C=C/c1ccccc1 1626a_100020643023_100016289705 [0,2,0,0,0,0|1,0,1]=4 3076 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100020643023 [0,2,0,0,0,0|1,0,0]=3 3077 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 2708a_100020643023_100020603302 [0,2,0,0,0,0|1,0,0]=3 3078 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100020643023 [0,2,0,0,0,0|1,0,0]=3 3079 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 273464a_100020643023_100020603302 [0,2,0,0,0,0|1,0,0]=3 3080 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100020643023 [0,2,0,0,0,0|1,0,0]=3 3081 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 512a_100020643023_100020603302 [0,2,0,0,0,0|1,0,0]=3 3082 B16R1.1465 CCCOC(=O)OCNCc1ccccc1 34a_100015324214_200000139673 [0,2,0,0,0,0|1,0,1]=4 3083 B16R1.1465 CCCOC(=O)OCOCc1ccccc1 34a_100000210790_200000139673 [0,2,0,0,0,0|1,0,1]=4 3084 B16R1.1465 CCCOC(=O)OCOCc1ccccc1 7a_100000210790_200000139673 [0,2,0,0,0,0|1,0,1]=4 3085 B16R1.1465 CCCOC(=O)OCSCc1ccccc1 62a_100000211182_200000139673 [0,2,0,0,0,0|1,0,1]=4 3086 B16R1.1465 CCNCC(=O)NC/C=C/c1ccccc1 2230a_100015525214_100102863107 [0,2,0,0,0,0|1,0,0]=3 3087 B16R1.1465 CCNNC(=O)C=C/C=C/c1ccccc1 22a_100000756455_100016289705 [0,2,0,0,0,0|1,0,1]=4 3088 B16R1.1465 CCNNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000756455 [0,2,0,0,0,0|1,0,0]=3 3089 B16R1.1465 CCNNC(=O)NC/C=C/c1ccccc1 512a_100000756455_100020603302 [0,2,0,0,0,0|1,0,0]=3 3090 B16R1.1465 CCNNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000756455 [0,2,0,0,0,0|1,0,0]=3 3091 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000211967 [0,2,0,0,0,0|1,0,0]=3 3092 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000211967 [0,2,0,0,0,0|1,0,0]=3 3093 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000211967 [0,2,0,0,0,0|1,0,0]=3 3094 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 34a_100121572206_100102863107 [0,2,0,0,0,0|1,0,0]=3 3095 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000211967 [0,2,0,0,0,0|1,0,0]=3 3096 B16R1.1465 CCOCC(C)OC/C=C/c1ccccc1 34a_100000718985_100016265936 [0,2,0,0,0,0|1,0,1]=4 3097 B16R1.1465 CCOCC(C)OC/C=C/c1ccccc1 7a_100000718985_100016265936 [0,2,0,0,0,0|1,0,1]=4 3098 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000230394 [0,2,0,0,0,0|1,0,0]=3 3099 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000230394 [0,2,0,0,0,0|1,0,0]=3 3100 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000230394 [0,2,0,0,0,0|1,0,0]=3 3101 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000230394 [0,2,0,0,0,0|1,0,0]=3 3102 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 62a_100000210202_100102863107 [0,2,0,0,0,0|1,0,0]=3 3103 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 62a_100102863107_100000210202 [0,2,0,0,0,0|1,0,0]=3 3104 B16R1.1465 COC=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100016268678 [0,2,0,0,0,0|1,0,1]=4 3105 B16R1.1465 COC=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100016268678 [0,2,0,0,0,0|1,0,1]=4 3106 B16R1.1465 COCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000233755 [0,2,0,0,0,0|1,0,1]=4 3107 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000749529 [0,2,0,0,0,0|1,0,0]=3 3108 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000749529 [0,2,0,0,0,0|1,0,0]=3 3109 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000749529 [0,2,0,0,0,0|1,0,0]=3 3110 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000749529 [0,2,0,0,0,0|1,0,0]=3 3111 B16R1.1465 CSCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000751147 [0,2,0,0,0,0|1,0,1]=4 3112 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000174002 [0,2,0,0,0,0|1,0,0]=3 3113 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000174002 [0,2,0,0,0,0|1,0,0]=3 3114 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000174002 [0,2,0,0,0,0|1,0,0]=3 3115 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000174002 [0,2,0,0,0,0|1,0,0]=3 3116 B16R1.1465 N#CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100011215226 [0,2,0,0,0,0|1,0,1]=4 3117 B16R1.1465 N#CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100011934036 [0,2,0,0,0,0|1,0,0]=3 3118 B16R1.1465 N#CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100011934036 [0,2,0,0,0,0|1,0,0]=3 3119 B16R1.1465 N#CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100011934036 [0,2,0,0,0,0|1,0,0]=3 3120 B16R1.1465 N#CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100011934036 [0,2,0,0,0,0|1,0,0]=3 3121 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 2708a_100000734998_100020603302 [0,2,0,0,0,0|1,0,1]=4 3122 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 273464a_100000734998_100020603302 [0,2,0,0,0,0|1,0,1]=4 3123 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000734998 [0,2,0,0,0,0|1,0,1]=4 3124 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 512a_100000734998_100020603302 [0,2,0,0,0,0|1,0,1]=4 3125 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000734998 [0,2,0,0,0,0|1,0,1]=4 3126 B16R1.1465 O=C(C=C/C=C/c1ccccc1)CCCF 1458a_100016289705_100011934791 [0,2,0,0,0,0|1,0,1]=4 3127 B16R1.1465 O=C(C=C/C=C/c1ccccc1)CCCO 1458a_100016289705_100011215043 [0,2,0,0,0,0|1,0,1]=4 3128 B16R1.1465 O=C(C=C/C=C/c1ccccc1)NCCF 1626a_100000724931_100016289705 [0,2,0,0,0,0|1,0,1]=4 3129 B16R1.1465 O=C(CSCF)NC/C=C/c1ccccc1 62a_100015361967_100102863107 [0,2,0,0,0,0|1,0,0]=3 3130 B16R1.1465 O=C(CSCF)NC/C=C/c1ccccc1 62a_100102863107_100015361967 [0,2,0,0,0,0|1,0,0]=3 3131 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 2708a_100020603302_100000724931 [0,2,0,0,0,0|1,0,0]=3 3132 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 273464a_100000724931_100020603302 [0,2,0,0,0,0|1,0,0]=3 3133 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 273464a_100020603302_100000724931 [0,2,0,0,0,0|1,0,0]=3 3134 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 512a_100020603302_100000724931 [0,2,0,0,0,0|1,0,0]=3 3135 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 2708a_100020603302_100000210304 [0,2,0,0,0,0|1,0,0]=3 3136 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 273464a_100000210304_100020603302 [0,2,0,0,0,0|1,0,0]=3 3137 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 273464a_100020603302_100000210304 [0,2,0,0,0,0|1,0,0]=3 3138 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 512a_100020603302_100000210304 [0,2,0,0,0,0|1,0,0]=3 3139 B16R1.1465 [N-]=[N+]=NCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000751907 [0,2,0,0,0,0|2,0,0]=4 3140 B16R1.1465 [N-]=[N+]=NCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000751907 [0,2,0,0,0,0|2,0,0]=4 3141 B16R1.6929 C=C(C)CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000748629 [0,2,0,0,0,0|1,0,1]=4 3142 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)C 11a_100020603302_100000211388 [0,2,0,0,0,0|1,0,1]=4 3143 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)C 1626a_100020603302_100000211388 [0,2,0,0,0,0|1,0,1]=4 3144 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)C 240690a_100020603302_100000211388 [0,2,0,0,0,0|1,0,1]=4 3145 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)Cl 11a_100020603302_200042562850 [0,2,0,0,0,0|1,0,1]=4 3146 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)Cl 1626a_100020603302_200042562850 [0,2,0,0,0,0|1,0,1]=4 3147 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)Cl 240690a_100020603302_200042562850 [0,2,0,0,0,0|1,0,1]=4 3148 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)I 11a_100020603302_100025716642 [0,2,0,0,0,0|1,0,1]=4 3149 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)I 1626a_100020603302_100025716642 [0,2,0,0,0,0|1,0,1]=4 3150 B16R1.6929 CC(=O)CC(=O)NC/C=C/c1ccccc1 1458a_100000070787_100102863107 [0,2,0,0,0,0|1,0,0]=3 3151 B16R1.6929 CC(=O)CC(=O)OCCNc1ccccc1 34a_100000106764_100000102702 [0,2,0,0,0,0|1,0,1]=4 3152 B16R1.6929 CC(=O)CC(=O)OCCOc1ccccc1 34a_100000210340_100000102702 [0,2,0,0,0,0|1,0,1]=4 3153 B16R1.6929 CC(=O)CC(=O)OCCSc1ccccc1 62a_100000102702_100000041952 [0,2,0,0,0,0|1,0,1]=4 3154 B16R1.6929 CC(=O)CC(=O)OCCSc1ccccc1 62a_100000719477_100000102702 [0,2,0,0,0,0|1,0,1]=4 3155 B16R1.6929 CC(C)CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210624 [0,2,0,0,0,0|1,0,1]=4 3156 B16R1.6929 CC(C)CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210554 [0,2,0,0,0,0|1,0,0]=3 3157 B16R1.6929 CC(C)CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210554 [0,2,0,0,0,0|1,0,0]=3 3158 B16R1.6929 CC(C)CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210554 [0,2,0,0,0,0|1,0,0]=3 3159 B16R1.6929 CC(C)CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210554 [0,2,0,0,0,0|1,0,0]=3 3160 B16R1.6929 CC(C)CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000731052 [0,2,0,0,0,0|1,0,1]=4 3161 B16R1.6929 CC(C)CC(C)OC/C=C/c1ccccc1 34a_100000211805_100016265936 [0,2,0,0,0,0|1,0,1]=4 3162 B16R1.6929 CC(C)CC(C)OC/C=C/c1ccccc1 7a_100000211805_100016265936 [0,2,0,0,0,0|1,0,1]=4 3163 B16R1.6929 CC(C)NC(=O)C=C/C=C/c1ccccc1 1626a_100138425928_100016289705 [0,2,0,0,0,0|1,0,1]=4 3164 B16R1.6929 CC(C)NC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100138425928 [0,2,0,0,0,0|1,0,0]=3 3165 B16R1.6929 CC(C)NC(=O)NC/C=C/c1ccccc1 2708a_100138425928_100020603302 [0,2,0,0,0,0|1,0,0]=3 3166 B16R1.6929 CC(C)NC(=O)NC/C=C/c1ccccc1 273464a_100138425928_100020603302 [0,2,0,0,0,0|1,0,0]=3 3167 B16R1.6929 CC(C)NC(=O)NC/C=C/c1ccccc1 512a_100020603302_100138425928 [0,2,0,0,0,0|1,0,0]=3 3168 B16R1.6929 CC(C)NC(=O)NC/C=C/c1ccccc1 512a_100138425928_100020603302 [0,2,0,0,0,0|1,0,0]=3 3169 B16R1.6929 CC(C)OC(=O)OCSCc1ccccc1 62a_100000003507_100015291786 [0,2,0,0,0,0|1,0,1]=4 3170 B16R1.6929 CC(C)OC(=O)OCSCc1ccccc1 62a_100000211182_100000003507 [0,2,0,0,0,0|1,0,1]=4 3171 B16R1.6929 CC(O)CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100011218427 [0,2,0,0,0,0|1,0,1]=4 3172 B16R1.6929 CN(C)CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000750896 [0,2,0,0,0,0|1,0,0]=3 3173 B16R1.6929 CN(C)CC(=O)NC/C=C/c1ccccc1 2230a_100102631434_100102863107 [0,2,0,0,0,0|1,0,0]=3 3174 B16R1.6929 CN(C)CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000750896 [0,2,0,0,0,0|1,0,0]=3 3175 B16R1.6929 CN(C)CC(=O)NC/C=C/c1ccccc1 269982a_100102631434_100102863107 [0,2,0,0,0,0|1,0,0]=3 3176 B16R1.6929 CN(C)CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000750896 [0,2,0,0,0,0|1,0,0]=3 3177 B16R1.6929 C[C@@H](O)CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100011933948 [0,2,0,0,0,0|1,0,0]=3 3178 B16R1.6929 C[S+](C)CC(=O)NC/C=C/c1ccccc1 11a_100020603302_200159257847 [0,2,0,0,0,0|1,0,0]=3 3179 B16R1.6929 C[S+](C)CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_200159257847 [0,2,0,0,0,0|1,0,0]=3 3180 B16R1.6929 C[S+](C)CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_200159257847 [0,2,0,0,0,0|1,0,0]=3 3181 B16R1.6929 C[S+](C)CC(=O)NC/C=C/c1ccccc1 527a_100020603302_200159257847 [0,2,0,0,0,0|1,0,0]=3 3182 B16R1.6929 NC(=O)CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100134613110 [0,2,0,0,0,0|1,0,1]=4 3183 B16R1.6929 NC(=O)CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100134613110 [0,2,0,0,0,0|1,0,1]=4 3184 B16R1.6929 O=C(C=C/C=C/c1ccccc1)CC(F)F 1458a_100016289705_100011934356 [0,2,0,0,0,0|1,0,1]=4 3185 B16R1.14049 CC/C=C(\C)/C(=O)C/C=C/c1ccccc1 1458a_100016988807_100016265936 [0,2,0,0,0,0|2,0,0]=4 3186 B16R1.14049 CCNC(=O)C(=O)C/C=C/c1ccccc1 1458a_200011297158_100016265936 [0,2,0,0,0,0|1,0,0]=3 3187 B16R1.1143 CCC(=O)CCNC(=O)c1cccc(c1)C 1458a_100000184521_100000210202 [0,2,0,0,0,0|2,0,0]=4 3188 B16R1.1143 CNC(=O)OCCC(=O)c1cccc(c1)Br 1458a_100000210664_200011997002 [0,2,0,0,0,0|1,0,1]=4 3189 B16R1.1143 CNC(=O)OCCC(=O)c1cccc(c1)C 1458a_100000189346_200011997002 [0,2,0,0,0,0|1,0,1]=4 3190 B16R1.1143 CNC(=O)OCCC(=O)c1cccc(c1)Cl 1458a_100000210390_200011997002 [0,2,0,0,0,0|1,0,1]=4 3191 B16R1.1143 CNC(=O)OCCC(=O)c1cccc(c1)F 1458a_100000210950_200011997002 [0,2,0,0,0,0|1,0,1]=4 3192 B16R1.1143 CNC(=O)OCCC(=O)c1cccc(c1)I 1458a_100000184098_200011997002 [0,2,0,0,0,0|1,0,1]=4 3193 B16R1.1143 CNC(=O)OCCC(=O)c1cccc(c1)O 1458a_100000183914_200011997002 [0,2,0,0,0,0|1,0,1]=4 3194 B16R1.1148 CCC(=O)CCC(=O)Nc1cccc(c1)C 1458a_100000210414_100011194834 [0,2,0,0,0,0|2,0,0]=4 3195 B16R1.1148 CCC(=O)CCC(=O)Nc1cccc(c1)C 1458a_200000180963_100000210202 [0,2,0,0,0,0|2,0,0]=4 3196 B16R1.1148 CCC(=O)CCC(=O)Nc1cccc(c1)F 1458a_100000180978_100000210202 [0,2,0,0,0,0|2,0,0]=4 3197 B16R1.1148 CCC(=O)CCC(=O)Nc1cccc(c1)F 1458a_100000210414_100000242062 [0,2,0,0,0,0|2,0,0]=4 3198 B16R1.1148 CCC(=O)NCC(=O)Cc1cccc(c1)Br 1458a_100000194589_100000211773 [0,2,0,0,0,0|1,0,1]=4 3199 B16R1.1148 CCC(=O)NCC(=O)Cc1cccc(c1)C 1458a_100000194589_100000211840 [0,2,0,0,0,0|1,0,1]=4 3200 B16R1.1148 CCC(=O)NCC(=O)Cc1cccc(c1)Cl 1458a_100000194589_100000181238 [0,2,0,0,0,0|1,0,1]=4 3201 B16R1.1148 CCC(=O)NCC(=O)Cc1cccc(c1)F 1458a_100000194589_100000230114 [0,2,0,0,0,0|1,0,1]=4 3202 B16R1.1148 CCC(=O)NCC(=O)Cc1cccc(c1)I 1458a_100000194589_100011218688 [0,2,0,0,0,0|1,0,1]=4 3203 B16R1.1148 CCC(=O)NCC(=O)Cc1cccc(c1)O 1458a_100000194589_100011660834 [0,2,0,0,0,0|1,0,1]=4 3204 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000194589 [0,2,0,0,0,0|2,0,0]=4 3205 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000194589 [0,2,0,0,0,0|2,0,0]=4 3206 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000194589 [0,2,0,0,0,0|2,0,0]=4 3207 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000194589 [0,2,0,0,0,0|2,0,0]=4 3208 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)C 11a_100000188690_100000194589 [0,2,0,0,0,0|2,0,0]=4 3209 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000194589 [0,2,0,0,0,0|2,0,0]=4 3210 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)C 22a_100000188690_100000194589 [0,2,0,0,0,0|2,0,0]=4 3211 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)C 527a_100000188690_100000194589 [0,2,0,0,0,0|2,0,0]=4 3212 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000194589 [0,2,0,0,0,0|2,0,0]=4 3213 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Cl 11a_100102560372_100000210414 [0,2,0,0,0,0|2,0,0]=4 3214 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000194589 [0,2,0,0,0,0|2,0,0]=4 3215 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Cl 1626a_100102560372_100000210414 [0,2,0,0,0,0|2,0,0]=4 3216 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000194589 [0,2,0,0,0,0|2,0,0]=4 3217 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Cl 240690a_100102560372_100000210414 [0,2,0,0,0,0|2,0,0]=4 3218 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)Cl 527a_100102560372_100000210414 [0,2,0,0,0,0|2,0,0]=4 3219 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 11a_100000168492_100000210414 [0,2,0,0,0,0|2,0,0]=4 3220 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 11a_100000210047_100000194589 [0,2,0,0,0,0|2,0,0]=4 3221 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 1626a_100000168492_100000210414 [0,2,0,0,0,0|2,0,0]=4 3222 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000194589 [0,2,0,0,0,0|2,0,0]=4 3223 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 22a_100000210047_100000194589 [0,2,0,0,0,0|2,0,0]=4 3224 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 240690a_100000168492_100000210414 [0,2,0,0,0,0|2,0,0]=4 3225 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 527a_100000168492_100000210414 [0,2,0,0,0,0|2,0,0]=4 3226 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)F 527a_100000210047_100000194589 [0,2,0,0,0,0|2,0,0]=4 3227 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)I 11a_100000211102_100000194589 [0,2,0,0,0,0|2,0,0]=4 3228 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000194589 [0,2,0,0,0,0|2,0,0]=4 3229 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)I 22a_100000211102_100000194589 [0,2,0,0,0,0|2,0,0]=4 3230 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)I 527a_100000211102_100000194589 [0,2,0,0,0,0|2,0,0]=4 3231 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000194589 [0,2,0,0,0,0|2,0,0]=4 3232 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)O 22a_100000210217_100000194589 [0,2,0,0,0,0|2,0,0]=4 3233 B16R1.1148 CCC(=O)NCC(=O)Nc1cccc(c1)O 527a_100000210217_100000194589 [0,2,0,0,0,0|2,0,0]=4 3234 B16R1.4381 CCC(C)OC/C=C/c1cc(cc(c1)F)F 34a_200012000220_100011215416 [0,2,0,0,0,0|1,0,1]=4 3235 B16R1.4381 CCC(C)OC/C=C/c1cc(cc(c1)F)F 7a_200012000220_100000758301 [0,2,0,0,0,0|1,0,1]=4 3236 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)Br 62a_100000139345_100000211773 [0,2,0,0,0,0|1,0,1]=4 3237 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000139345 [0,2,0,0,0,0|1,0,1]=4 3238 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)Cl 62a_100000139345_100000187163 [0,2,0,0,0,0|1,0,1]=4 3239 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000139345 [0,2,0,0,0,0|1,0,1]=4 3240 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)F 62a_100000139345_100000230114 [0,2,0,0,0,0|1,0,1]=4 3241 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)F 62a_100000230114_100000139345 [0,2,0,0,0,0|1,0,1]=4 3242 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)I 62a_100000139345_100011218688 [0,2,0,0,0,0|1,0,1]=4 3243 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)I 62a_100011218688_100000139345 [0,2,0,0,0,0|1,0,1]=4 3244 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)O 62a_100000139345_100011660834 [0,2,0,0,0,0|1,0,1]=4 3245 B16R1.11228 CC(C)C(=O)OCSCc1cccc(c1)O 62a_100011660834_100000139345 [0,2,0,0,0,0|1,0,1]=4 3246 B16R1.11228 Cc1cccc(c1)CSCOC(=O)C(C)C 62a_100000139345_100000211840 [0,2,0,0,0,0|1,0,1]=4 3247 B16R1.11228 Cc1cccc(c1)CSCOC(=O)C(C)C 62a_100000211840_100000139345 [0,2,0,0,0,0|1,0,1]=4 3248 B16R1.1106 C/C=C(/C=NNC(=O)CC)\c1ccccc1 4a_100000183195_200015352894 [0,2,0,0,0,0|2,0,0]=4 3249 B16R1.1145 CCC(=O)[C@H](C)CSC(=O)c1ccccc1 1458a_100016998329_100000210202 [0,2,0,0,0,0|2,0,0]=4 3250 B16R1.2925 C=C(C(=O)NNC(=O)CC)c1ccccc1 22a_100000183195_100000065200 [0,2,0,0,0,0|2,0,0]=4 3251 B16R1.2925 CCC(=O)CCC(=O)N(C)c1ccccc1 1458a_100000210414_100000691765 [0,2,0,0,0,0|2,0,0]=4 3252 B16R1.2925 CCC(=O)NCC(=O)C(C)c1ccccc1 1458a_100000194589_100000230085 [0,2,0,0,0,0|1,0,1]=4 3253 B16R1.2925 CCC(=O)NCC(=O)N(C)c1ccccc1 11a_100000210012_100000194589 [0,2,0,0,0,0|2,0,0]=4 3254 B16R1.2925 CCC(=O)NCC(=O)N(C)c1ccccc1 11a_200000174886_100000210414 [0,2,0,0,0,0|2,0,0]=4 3255 B16R1.2925 CCC(=O)NCC(=O)N(C)c1ccccc1 1626a_100000210012_100000194589 [0,2,0,0,0,0|2,0,0]=4 3256 B16R1.2925 CCC(=O)NCC(=O)N(C)c1ccccc1 1626a_200000174886_100000210414 [0,2,0,0,0,0|2,0,0]=4 3257 B16R1.2925 CCC(=O)NCC(=O)N(C)c1ccccc1 22a_100000210012_100000194589 [0,2,0,0,0,0|2,0,0]=4 3258 B16R1.2925 CCC(=O)NCC(=O)N(C)c1ccccc1 240690a_200000174886_100000210414 [0,2,0,0,0,0|2,0,0]=4 3259 B16R1.2925 CCC(=O)NCC(=O)N(C)c1ccccc1 527a_200000174886_100000210414 [0,2,0,0,0,0|2,0,0]=4 3260 B16R1.4129 C=C(C)C(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009816335 [0,2,0,0,0,0|0,0,2]=4 3261 B16R1.4129 C=C(CCCC(=O)C(C)C)c1ccccc1 1458a_200009911520_100000210206 [0,2,0,0,0,0|1,0,1]=4 3262 B16R1.4129 CC(C)C(=O)CCCC(=O)c1ccccc1 1458a_100000210198_100000211006 [0,2,0,0,0,0|1,0,1]=4 3263 B16R1.4129 CC(C)C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210206 [0,2,0,0,0,0|2,0,0]=4 3264 B16R1.4129 CC(C)C(=O)CCNC(=O)c1ccccc1 1458a_100000210198_200011215302 [0,2,0,0,0,0|2,0,0]=4 3265 B16R1.4129 CC(C)C(=O)CCOC(=O)c1ccccc1 1458a_100000210198_100000184176 [0,2,0,0,0,0|2,0,0]=4 3266 B16R1.4129 CC(C)C(=O)OCSC(C)c1ccccc1 62a_100000139345_100000230085 [0,2,0,0,0,0|1,0,1]=4 3267 B16R1.4129 CC(C)C(=O)OCSC(C)c1ccccc1 62a_100000230085_100000139345 [0,2,0,0,0,0|1,0,1]=4 3268 B16R1.4129 CC(F)C(=O)CCCC(=O)c1ccccc1 1458a_100000062450_100000211006 [0,2,0,0,0,0|1,0,1]=4 3269 B16R1.4129 CC(F)C(=O)CCNC(=O)c1ccccc1 1458a_100000062450_200011215302 [0,2,0,0,0,0|2,0,0]=4 3270 B16R1.4129 CC(F)C(=O)CCOC(=O)c1ccccc1 1458a_100000062450_100000184176 [0,2,0,0,0,0|2,0,0]=4 3271 B16R1.4129 C[C@@H](O)C(=O)CCCC(=O)c1ccccc1 1458a_100000717761_100000211006 [0,2,0,0,0,0|1,0,1]=4 3272 B16R1.4129 C[C@@H](O)C(=O)CCNC(=O)c1ccccc1 1458a_100000717761_200011215302 [0,2,0,0,0,0|2,0,0]=4 3273 B16R1.4129 C[C@@H](O)C(=O)CCOC(=O)c1ccccc1 1458a_100000717761_100000184176 [0,2,0,0,0,0|2,0,0]=4 3274 B16R1.4129 C[C@H](O)C(=O)CCCC(=O)c1ccccc1 1458a_217856618621_100000211006 [0,2,0,0,0,0|1,0,1]=4 3275 B16R1.4129 C[C@H](O)C(=O)CCNC(=O)c1ccccc1 1458a_217856618621_200011215302 [0,2,0,0,0,0|2,0,0]=4 3276 B16R1.4129 C[C@H](O)C(=O)CCOC(=O)c1ccccc1 1458a_217856618621_100000184176 [0,2,0,0,0,0|2,0,0]=4 3277 B16R1.16971 CCC(=O)CCNC(=O)c1ccccc1C 1458a_100000195313_100000210202 [0,2,0,0,0,0|2,0,0]=4 3278 B16R1.16971 CCC(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_100000210202 [0,2,0,0,0,0|2,0,0]=4 3279 B16R1.16971 CNC(=O)OCCC(=O)c1ccccc1Br 1458a_100000188424_200011997002 [0,2,0,0,0,0|1,0,1]=4 3280 B16R1.16971 CNC(=O)OCCC(=O)c1ccccc1C 1458a_100000212026_200011997002 [0,2,0,0,0,0|1,0,1]=4 3281 B16R1.16971 CNC(=O)OCCC(=O)c1ccccc1Cl 1458a_100000185844_200011997002 [0,2,0,0,0,0|1,0,1]=4 3282 B16R1.16971 CNC(=O)OCCC(=O)c1ccccc1F 1458a_100000188656_200011997002 [0,2,0,0,0,0|1,0,1]=4 3283 B16R1.16971 CNC(=O)OCCC(=O)c1ccccc1I 1458a_100000187884_200011997002 [0,2,0,0,0,0|1,0,1]=4 3284 B16R1.16971 CNC(=O)OCCC(=O)c1ccccc1O 1458a_100015234032_200011997002 [0,2,0,0,0,0|1,0,1]=4 3285 B16R1.16971 CNC(=O)OCCC(=O)c1ccccc1[O-] 1458a_100009911694_200011997002 [0,2,0,0,0,0|1,0,1]=4 3286 B16R1.4132 CC(C)C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_100000210206 [0,2,0,0,0,0|2,0,0]=4 3287 B16R1.4132 CC(C)C(=O)CCC(=O)Nc1ccccc1 1458a_100000210198_100000242058 [0,2,0,0,0,0|2,0,0]=4 3288 B16R1.4132 CC(C)C(=O)CCC(=O)Oc1ccccc1 1458a_100000210198_200000035796 [0,2,0,0,0,0|2,0,0]=4 3289 B16R1.4132 CC(C)C(=O)NCC(=O)Cc1ccccc1 1458a_100000194582_100015291786 [0,2,0,0,0,0|1,0,1]=4 3290 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000194582 [0,2,0,0,0,0|2,0,0]=4 3291 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000210198 [0,2,0,0,0,0|2,0,0]=4 3292 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000194582 [0,2,0,0,0,0|2,0,0]=4 3293 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000210198 [0,2,0,0,0,0|2,0,0]=4 3294 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000194582 [0,2,0,0,0,0|2,0,0]=4 3295 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000210198 [0,2,0,0,0,0|2,0,0]=4 3296 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000194582 [0,2,0,0,0,0|2,0,0]=4 3297 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000210198 [0,2,0,0,0,0|2,0,0]=4 3298 B16R1.4132 CC(C)C(=O)OCC(=O)C[n+]1ccccc1 1458a_200000086051_100000139345 [0,2,0,0,0,0|1,0,1]=4 3299 B16R1.4132 CC(C)C(=O)OCC(=O)Cc1ccccn1 1458a_100000233486_100000139345 [0,2,0,0,0,0|1,0,1]=4 3300 B16R1.4132 CC(C)C(=O)OCC(=O)Cc1cccnc1 1458a_100000737805_100000139345 [0,2,0,0,0,0|1,0,1]=4 3301 B16R1.4132 CC(F)C(=O)CCC(=O)Nc1ccccc1 1458a_100000062450_100000242058 [0,2,0,0,0,0|2,0,0]=4 3302 B16R1.4132 CC(F)C(=O)CCC(=O)Oc1ccccc1 1458a_100000062450_200000035796 [0,2,0,0,0,0|2,0,0]=4 3303 B16R1.4132 CC(F)C(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000062450 [0,2,0,0,0,0|2,0,0]=4 3304 B16R1.4132 CC(F)C(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000062450 [0,2,0,0,0,0|2,0,0]=4 3305 B16R1.4132 CC(F)C(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000062450 [0,2,0,0,0,0|2,0,0]=4 3306 B16R1.4132 CC(F)C(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000062450 [0,2,0,0,0,0|2,0,0]=4 3307 B16R1.4132 C[C@@H](O)C(=O)CCC(=O)Nc1ccccc1 1458a_100000717761_100000242058 [0,2,0,0,0,0|2,0,0]=4 3308 B16R1.4132 C[C@@H](O)C(=O)CCC(=O)Oc1ccccc1 1458a_100000717761_200000035796 [0,2,0,0,0,0|2,0,0]=4 3309 B16R1.4132 C[C@@H](O)C(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000717761 [0,2,0,0,0,0|2,0,0]=4 3310 B16R1.4132 C[C@H](O)C(=O)CCC(=O)Nc1ccccc1 1458a_217856618621_100000242058 [0,2,0,0,0,0|2,0,0]=4 3311 B16R1.4132 C[C@H](O)C(=O)CCC(=O)Oc1ccccc1 1458a_217856618621_200000035796 [0,2,0,0,0,0|2,0,0]=4 3312 B16R1.4132 C[C@H](O)C(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_217856618621 [0,2,0,0,0,0|2,0,0]=4 3313 B16R1.4132 C[C@H](O)C(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_217856618621 [0,2,0,0,0,0|2,0,0]=4 3314 B16R1.7458 CCC(=O)CCC(=O)Nc1ccccc1C 1458a_200000180964_100000210202 [0,2,0,0,0,0|2,0,0]=4 3315 B16R1.7458 CCC(=O)CCC(=O)Nc1ccccc1O 1458a_100000011731_100000210202 [0,2,0,0,0,0|2,0,0]=4 3316 B16R1.7458 CCC(=O)NCC(=O)Cc1ccccc1Br 1458a_100000194589_100000184730 [0,2,0,0,0,0|1,0,1]=4 3317 B16R1.7458 CCC(=O)NCC(=O)Cc1ccccc1C 1458a_100000194589_100000211839 [0,2,0,0,0,0|1,0,1]=4 3318 B16R1.7458 CCC(=O)NCC(=O)Cc1ccccc1Cl 1458a_100000194589_100000187162 [0,2,0,0,0,0|1,0,1]=4 3319 B16R1.7458 CCC(=O)NCC(=O)Cc1ccccc1F 1458a_100000194589_100000187165 [0,2,0,0,0,0|1,0,1]=4 3320 B16R1.7458 CCC(=O)NCC(=O)Cc1ccccc1I 1458a_100000194589_100011216222 [0,2,0,0,0,0|1,0,1]=4 3321 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Br 11a_100000210017_100000194589 [0,2,0,0,0,0|2,0,0]=4 3322 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Br 11a_100000683505_100000210414 [0,2,0,0,0,0|2,0,0]=4 3323 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Br 1626a_100000210017_100000194589 [0,2,0,0,0,0|2,0,0]=4 3324 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Br 1626a_100000683505_100000210414 [0,2,0,0,0,0|2,0,0]=4 3325 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Br 240690a_100000683505_100000210414 [0,2,0,0,0,0|2,0,0]=4 3326 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Br 527a_100000683505_100000210414 [0,2,0,0,0,0|2,0,0]=4 3327 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 11a_100015186652_100000210414 [0,2,0,0,0,0|2,0,0]=4 3328 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 11a_100015192222_100000194589 [0,2,0,0,0,0|2,0,0]=4 3329 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 1626a_100015186652_100000210414 [0,2,0,0,0,0|2,0,0]=4 3330 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 1626a_100015192222_100000194589 [0,2,0,0,0,0|2,0,0]=4 3331 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 22a_100015192222_100000194589 [0,2,0,0,0,0|2,0,0]=4 3332 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 240690a_100015186652_100000210414 [0,2,0,0,0,0|2,0,0]=4 3333 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 527a_100015186652_100000210414 [0,2,0,0,0,0|2,0,0]=4 3334 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1C 527a_100015192222_100000194589 [0,2,0,0,0,0|2,0,0]=4 3335 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Cl 11a_100000185783_100000194589 [0,2,0,0,0,0|2,0,0]=4 3336 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000194589 [0,2,0,0,0,0|2,0,0]=4 3337 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Cl 22a_100000185783_100000194589 [0,2,0,0,0,0|2,0,0]=4 3338 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1Cl 527a_100000185783_100000194589 [0,2,0,0,0,0|2,0,0]=4 3339 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1F 11a_100000210422_100000194589 [0,2,0,0,0,0|2,0,0]=4 3340 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1F 1626a_100000210422_100000194589 [0,2,0,0,0,0|2,0,0]=4 3341 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1F 22a_100000210422_100000194589 [0,2,0,0,0,0|2,0,0]=4 3342 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1F 527a_100000210422_100000194589 [0,2,0,0,0,0|2,0,0]=4 3343 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1I 11a_100000210053_100000194589 [0,2,0,0,0,0|2,0,0]=4 3344 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1I 1626a_100000210053_100000194589 [0,2,0,0,0,0|2,0,0]=4 3345 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1O 22a_100000185747_100000194589 [0,2,0,0,0,0|2,0,0]=4 3346 B16R1.7458 CCC(=O)NCC(=O)Nc1ccccc1O 527a_100000185747_100000194589 [0,2,0,0,0,0|2,0,0]=4 3347 B16R1.401 CC(C)C(=O)OCSCc1ccccc1Br 62a_100000139345_100000184730 [0,2,0,0,0,0|1,0,1]=4 3348 B16R1.401 CC(C)C(=O)OCSCc1ccccc1Br 62a_100000184730_100000139345 [0,2,0,0,0,0|1,0,1]=4 3349 B16R1.401 CC(C)C(=O)OCSCc1ccccc1Cl 62a_100000139345_100000187162 [0,2,0,0,0,0|1,0,1]=4 3350 B16R1.401 CC(C)C(=O)OCSCc1ccccc1Cl 62a_100000187162_100000139345 [0,2,0,0,0,0|1,0,1]=4 3351 B16R1.401 CC(C)C(=O)OCSCc1ccccc1F 62a_100000139345_100000211605 [0,2,0,0,0,0|1,0,1]=4 3352 B16R1.401 CC(C)C(=O)OCSCc1ccccc1F 62a_100000211605_100000139345 [0,2,0,0,0,0|1,0,1]=4 3353 B16R1.401 CC(C)C(=O)OCSCc1ccccc1I 62a_100000139345_100011216222 [0,2,0,0,0,0|1,0,1]=4 3354 B16R1.401 CC(C)C(=O)OCSCc1ccccc1I 62a_100011216222_100000139345 [0,2,0,0,0,0|1,0,1]=4 3355 B16R1.401 Cc1ccccc1CSCOC(=O)C(C)C 62a_100000139345_100000211839 [0,2,0,0,0,0|1,0,1]=4 3356 B16R1.401 Cc1ccccc1CSCOC(=O)C(C)C 62a_100000211839_100000139345 [0,2,0,0,0,0|1,0,1]=4 3357 B16R1.5822 CCC(=O)N(CC)C/C=C/c1ccccc1 11a_100020603567_100000210414 [0,2,0,0,0,0|1,0,0]=3 3358 B16R1.5822 CCC(=O)N(CC)C/C=C/c1ccccc1 1626a_100020603567_100000210414 [0,2,0,0,0,0|1,0,0]=3 3359 B16R1.5822 CCC(=O)N(CC)C/C=C/c1ccccc1 240690a_100020603567_100000210414 [0,2,0,0,0,0|1,0,0]=3 3360 B16R1.5822 CCC(=O)N(CC)C/C=C/c1ccccc1 527a_100020603567_100000210414 [0,2,0,0,0,0|1,0,0]=3 3361 B16R1.5822 CCN(C/C=C/c1ccccc1)C(=O)CO 240690a_100020603567_100000210174 [0,2,0,0,0,0|2,0,0]=4 3362 B16R1.5822 CCN(C/C=C/c1ccccc1)C(=O)CO 527a_100020603567_100000210174 [0,2,0,0,0,0|2,0,0]=4 3363 B16R1.5822 CCN(C/C=C/c1ccccc1)C(=O)NC 2708a_100102657272_100020603567 [0,2,0,0,0,0|2,0,0]=4 3364 B16R1.5822 CCN(C/C=C/c1ccccc1)C(=O)NC 273464a_100102657272_100020603567 [0,2,0,0,0,0|2,0,0]=4 3365 B16R1.7323 CN(C)C(=O)C(=O)C/C=C/c1ccccc1 1458a_100011218876_100016265936 [0,2,0,0,0,0|2,0,0]=4 3366 B16R1.12546 CC(C)(C)C(=O)NC/C=C/c1ccccc1 11a_100020603302_106744555173 [0,2,0,0,0,0|1,0,0]=3 3367 B16R1.12546 CC(C)(C)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_106744555173 [0,2,0,0,0,0|1,0,0]=3 3368 B16R1.12546 CC(C)(C)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_106744555173 [0,2,0,0,0,0|1,0,0]=3 3369 B16R1.12546 CC(C)(C)C(=O)NC/C=C/c1ccccc1 527a_100020603302_106744555173 [0,2,0,0,0,0|1,0,0]=3 3370 B16R1.12546 CC(C)(C)C(=O)OCSCc1ccccc1 62a_100000032063_100015291786 [0,2,0,0,0,0|1,0,1]=4 3371 B16R1.12546 CC(C)(C)C(=O)OCSCc1ccccc1 62a_100000211182_100000032063 [0,2,0,0,0,0|1,0,1]=4 3372 B16R1.12546 CC(C)(F)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000765255 [0,2,0,0,0,0|1,0,0]=3 3373 B16R1.12546 CC(C)(F)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000765255 [0,2,0,0,0,0|1,0,0]=3 3374 B16R1.12546 CC(C)(F)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000765255 [0,2,0,0,0,0|1,0,0]=3 3375 B16R1.12546 CC(C)(F)C(=O)NC/C=C/c1ccccc1 527a_100020603302_100000765255 [0,2,0,0,0,0|1,0,0]=3 3376 B16R1.12546 CC(C)(O)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000242741 [0,2,0,0,0,0|1,0,0]=3 3377 B16R1.12546 CC(F)(F)C(=O)NC/C=C/c1ccccc1 11a_100020603302_100000042251 [0,2,0,0,0,0|1,0,0]=3 3378 B16R1.12546 CC(F)(F)C(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000042251 [0,2,0,0,0,0|1,0,0]=3 3379 B16R1.12546 CC(F)(F)C(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000042251 [0,2,0,0,0,0|1,0,0]=3 3380 B16R1.12546 CC(F)(F)C(=O)NC/C=C/c1ccccc1 527a_100020603302_100000042251 [0,2,0,0,0,0|1,0,0]=3 3381 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(F)(F)F 11a_100020603302_100015355933 [0,2,0,0,0,0|2,0,0]=4 3382 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(F)(F)F 1626a_100020603302_100015355933 [0,2,0,0,0,0|2,0,0]=4 3383 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(F)(F)F 240690a_100020603302_100015355933 [0,2,0,0,0,0|2,0,0]=4 3384 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(F)(F)F 527a_100020603302_100000210220 [0,2,0,0,0,0|2,0,0]=4 3385 B16R1.12546 [2H]C([2H])([2H])C(=O)NC/C=C/c1ccccc1 11a_100020603302_200015216371 [0,2,0,0,0,0|2,0,0]=4 3386 B16R1.12546 [2H]C([2H])([2H])C(=O)NC/C=C/c1ccccc1 1626a_100020603302_200015216371 [0,2,0,0,0,0|2,0,0]=4 3387 B16R1.12546 [2H]C([2H])([2H])C(=O)NC/C=C/c1ccccc1 240690a_100020603302_200015216371 [0,2,0,0,0,0|2,0,0]=4 3388 B16R1.12546 [2H]C([2H])([2H])C(=O)NC/C=C/c1ccccc1 527a_100020603302_200015216371 [0,2,0,0,0,0|2,0,0]=4 3389 B14R1.863 C=Cc1ccccc1CCC(=O)OC 271570a_100011290941_100009815308 [0,0,1,1,0,0|2,0,0]=4 3390 B14R1.863 C=Cc1ccccc1COC(C)CC 34a_200010883148_100011215416 [0,0,1,1,0,0|1,0,1]=4 3391 B14R1.863 C=Cc1ccccc1COC(C)CC 7a_200010883148_100000758301 [0,0,1,1,0,0|1,0,1]=4 3392 B14R1.863 C=Cc1ccccc1SCC(=O)CC 62a_100000747405_100011218376 [0,0,1,1,0,0|2,0,0]=4 3393 B14R1.863 C=Cc1ccccc1SCC(=O)CC 62a_100011218376_100000747405 [0,0,1,1,0,0|2,0,0]=4 3394 B14R1.863 CCC(=O)CCc1ccccc1C=O 1458a_100000210414_100010186698 [0,0,1,1,0,0|2,0,0]=4 3395 B14R1.24 C=C=Cc1ccc(cc1)OC(=O)CC 271570a_100015277604_200009811598 [0,0,1,1,0,0|0,0,2]=4 3396 B14R1.24 CC=Cc1ccc(cc1)OC(=O)CC 271570a_100016259895_200009811598 [0,0,1,1,0,0|0,0,2]=4 3397 B14R1.77 C=Cc1cccc(c1)CCC(=O)OC 271570a_100011290941_100000151591 [0,0,1,1,0,0|2,0,0]=4 3398 B14R1.77 C=Cc1cccc(c1)CNC(=O)CC 271570a_100011290941_200011236840 [0,0,1,1,0,0|1,0,0]=3 3399 B14R1.77 C=Cc1cccc(c1)OCC(=O)CC 7a_100011309434_100000747405 [0,0,1,1,0,0|2,0,0]=4 3400 B14R1.77 C=Cc1cccc(c1)SCC(=O)CC 62a_100000747405_100011215241 [0,0,1,1,0,0|2,0,0]=4 3401 B14R1.77 C=Cc1cccc(c1)SCC(=O)CC 62a_100011215241_100000747405 [0,0,1,1,0,0|2,0,0]=4 3402 B14R2.14 CCc1cscc1c2ccccc2 271570a_100011218836_100011068457 [1,0,0,1,0,0|2,0,0]=4 3403 B14R2.1253 C1=C(CCCCC1)c2ccccc2 271570a_200009888920_100000210277 [1,0,0,1,0,0|1,0,1]=4 3404 B14R2.3018 C(=C/c1ccccc1)\CNC2CC2 34a_100000212008_100016265936 [1,0,0,1,0,0|1,0,1]=4 3405 B14R2.3018 C(=C/c1ccccc1)\CNC2CC2 34a_100020603302_100000211595 [1,0,0,1,0,0|1,0,1]=4 3406 B14R2.3018 C(=C/c1ccccc1)\COC2CC2 34a_100000210256_100000211595 [1,0,0,1,0,0|0,0,1]=3 3407 B14R2.3018 C(=C/c1ccccc1)\CSC2CC2 62a_100016265936_100000211595 [1,0,0,1,0,0|0,1,1]=4 3408 B14R2.3018 C(=C/c1cccnc1)\COC2CC2 34a_200102594124_100000211595 [1,0,0,1,0,0|1,0,1]=4 3409 B14R2.3019 C(=C/c1ccccc1)\CN2CCC2 269982a_100000754969_100016265936 [1,0,0,1,0,0|1,0,1]=4 3410 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [1,0,0,1,0,0|2,0,0]=4 3411 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [1,0,0,1,0,0|2,0,0]=4 3412 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [1,0,0,1,0,0|1,0,1]=4 3413 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [1,0,0,1,0,0|1,0,1]=4 3414 B14R2.8 CCc1cc(cs1)c2ccccc2 271570a_100011218836_100009846239 [0,0,0,1,1,0|1,1,0]=4 3415 B14R2.8 CCc1ccc(s1)c2ccccc2 271570a_100011218836_100009844052 [0,0,0,1,1,0|0,1,1]=4 3416 B14R2.8 CCc1nc(no1)c2ccccc2 270196a_100000210280_100000210414 [0,0,0,1,1,0|2,0,0]=4 3417 B14R2.8 CCc1nc(no1)c2ccccc2 271570a_100011218836_100012003642 [0,0,0,1,1,0|2,0,0]=4 3418 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [0,0,0,1,1,0|1,0,1]=4 3419 B14R2.68 CN1CC=C(CC1)c2ccccc2 2230a_100000007107_200000210301 [0,0,0,1,1,0|2,0,0]=4 3420 B14R2.68 CN1CC=C(CC1)c2ccccc2 269982a_100000007107_200000210301 [0,0,0,1,1,0|2,0,0]=4 3421 B14R2.68 OC1CC=C(CC1)c2ccccc2 271570a_100010254553_100000210277 [0,0,0,1,1,0|0,0,2]=4 3422 B14R2.68 [13CH3]N1CC=C(CC1)c2ccccc2 2230a_100000007107_200025704644 [0,0,0,1,1,0|2,0,0]=4 3423 B14R2.68 [13CH3]N1CC=C(CC1)c2ccccc2 269982a_100000007107_200025704644 [0,0,0,1,1,0|2,0,0]=4 3424 B14R2.95 CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210202 [0,0,0,1,1,0|0,0,2]=4 3425 B14R2.95 CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210202 [0,0,0,1,1,0|0,0,0]=2 3426 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [0,0,0,1,1,0|0,0,2]=4 3427 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 1626a_100102657272_200009832160 [0,0,0,1,1,0|1,0,0]=3 3428 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 240690a_100102657272_200009832160 [0,0,0,1,1,0|1,0,0]=3 3429 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 527a_100102657272_200009832160 [0,0,0,1,1,0|1,0,0]=3 3430 B14R2.95 O=C(CF)C1C=Cc2c1cccc2 1458a_200009832160_100015361967 [0,0,0,1,1,0|1,0,0]=3 3431 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [0,0,0,1,1,0|0,0,2]=4 3432 B16R2.14 CCC(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_100000210202 [0,0,0,1,0,1|1,0,1]=4 3433 B16R2.14 CCC(=O)C=Cc1coc2c1cccc2 6a_100000688544_100000211110 [0,0,0,1,0,1|1,0,1]=4 3434 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210414_100011218569 [0,0,0,1,0,1|1,0,0]=3 3435 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210202 [0,0,0,1,0,1|1,0,0]=3 3436 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000210414_100009895007 [0,0,0,1,0,1|2,0,0]=4 3437 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000210202 [0,0,0,1,0,1|2,0,0]=4 3438 B16R2.14 CCC(=O)CCn1ccc2c1cccc2 1458a_100000186764_100000210202 [0,0,0,1,0,1|1,0,0]=3 3439 B16R2.14 CCC(=O)CCn1cnc2c1cccc2 1458a_100000177575_100000210202 [0,0,0,1,0,1|2,0,0]=4 3440 B16R2.14 CCC(=O)COC1CCc2c1cccc2 7a_100000212247_100000747405 [0,0,0,1,0,1|0,0,2]=4 3441 B16R2.14 CCC(=O)COc1csc2c1cccc2 7a_100000077758_100000747405 [0,0,0,1,0,1|1,0,1]=4 3442 B16R2.14 CCC(=O)CSc1coc2c1cccc2 62a_100000747405_100009812202 [0,0,0,1,0,1|2,0,0]=4 3443 B16R2.14 CCC(=O)CSc1csc2c1cccc2 62a_100000747405_100009813928 [0,0,0,1,0,1|2,0,0]=4 3444 B16R2.14 CCC(=O)NCc1[nH]nc2c1cccc2 240690a_100011642502_100000210414 [0,0,0,1,0,1|2,0,0]=4 3445 B16R2.14 CCC(=O)NCc1[nH]nc2c1cccc2 527a_100011642502_100000210414 [0,0,0,1,0,1|2,0,0]=4 3446 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210414 [0,0,0,1,0,1|1,0,0]=3 3447 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210414 [0,0,0,1,0,1|1,0,0]=3 3448 B16R2.14 CCC(=O)NCc1cnc2n1cccc2 1626a_100015187830_100000210414 [0,0,0,1,0,1|2,0,0]=4 3449 B16R2.14 CCC(=O)NCc1cnc2n1cccc2 240690a_100015187830_100000210414 [0,0,0,1,0,1|2,0,0]=4 3450 B16R2.14 CCC(=O)NCc1cnc2n1cccc2 527a_100015187830_100000210414 [0,0,0,1,0,1|2,0,0]=4 3451 B16R2.14 CCC(=O)NCc1csc2c1cccc2 11a_100000744611_100000210414 [0,0,0,1,0,1|1,0,0]=3 3452 B16R2.14 CCC(=O)NCc1csc2c1cccc2 1626a_100000744611_100000210414 [0,0,0,1,0,1|1,0,0]=3 3453 B16R2.14 CCC(=O)NCc1csc2c1cccc2 240690a_100000744611_100000210414 [0,0,0,1,0,1|1,0,0]=3 3454 B16R2.14 CCC(=O)NCc1csc2c1cccc2 527a_100000744611_100000210414 [0,0,0,1,0,1|1,0,0]=3 3455 B16R2.14 CCC(C)OCc1csc2c1cccc2 34a_100011219454_100011215416 [0,0,0,1,0,1|1,0,1]=4 3456 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 11a_106832991635_100000211458 [0,0,0,1,0,1|2,0,0]=4 3457 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 1626a_100102657272_100000211458 [0,0,0,1,0,1|2,0,0]=4 3458 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 240690a_100102657272_100000211458 [0,0,0,1,0,1|2,0,0]=4 3459 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 527a_100102657272_100000211458 [0,0,0,1,0,1|2,0,0]=4 3460 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 11a_106832991635_100000186764 [0,0,0,1,0,1|2,0,0]=4 3461 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 1626a_100102657272_100000186764 [0,0,0,1,0,1|2,0,0]=4 3462 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 527a_100102657272_100000186764 [0,0,0,1,0,1|2,0,0]=4 3463 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100015202335_106832991635 [0,0,0,1,0,1|2,0,0]=4 3464 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100102657272_100015202335 [0,0,0,1,0,1|2,0,0]=4 3465 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100015202335_100102657272 [0,0,0,1,0,1|2,0,0]=4 3466 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100102657272_100015202335 [0,0,0,1,0,1|2,0,0]=4 3467 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 512a_106832991638_100015202335 [0,0,0,1,0,1|2,0,0]=4 3468 B16R2.14 CNC(=O)NCc1csc2c1cccc2 2708a_100000744611_106832991635 [0,0,0,1,0,1|2,0,0]=4 3469 B16R2.14 CNC(=O)NCc1csc2c1cccc2 2708a_100102657272_100000744611 [0,0,0,1,0,1|2,0,0]=4 3470 B16R2.14 CNC(=O)NCc1csc2c1cccc2 273464a_100000744611_100102657272 [0,0,0,1,0,1|2,0,0]=4 3471 B16R2.14 CNC(=O)NCc1csc2c1cccc2 273464a_100102657272_100000744611 [0,0,0,1,0,1|2,0,0]=4 3472 B16R2.14 CNC(=O)NCc1csc2c1cccc2 512a_100000744611_100102657272 [0,0,0,1,0,1|2,0,0]=4 3473 B16R2.14 CNC(=O)NCc1csc2c1cccc2 512a_106832991638_100000744611 [0,0,0,1,0,1|2,0,0]=4 3474 B16R2.14 O=C(CF)CCc1c[nH]c2c1cccc2 1458a_100000211458_100015361967 [0,0,0,1,0,1|2,0,0]=4 3475 B16R2.14 O=C(CF)CCn1ccc2c1cccc2 1458a_100000186764_100015361967 [0,0,0,1,0,1|2,0,0]=4 3476 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccc2 1458a_100000210174_100011218569 [0,0,0,1,0,1|2,0,0]=4 3477 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210174 [0,0,0,1,0,1|2,0,0]=4 3478 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210174 [0,0,0,1,0,1|2,0,0]=4 3479 B16R2.14 O=C(CO)NCc1csc2c1cccc2 240690a_100000744611_100000210174 [0,0,0,1,0,1|2,0,0]=4 3480 B16R2.14 O=C(CO)NCc1csc2c1cccc2 527a_100000744611_100000210174 [0,0,0,1,0,1|2,0,0]=4 3481 B16R2.148 COC(=O)c1occc1c2ccccc2 271570a_100011218836_100012676306 [0,0,0,1,0,1|1,0,1]=4 3482 B16R2.279 O=C1CCC1NC/C=C/c2ccccc2 34a_100020603302_100009892977 [0,0,0,1,0,1|1,0,0]=3 3483 B16R2.279 O=C1CCC1OC/C=C/c2ccccc2 34a_100000210256_100009892977 [0,0,0,1,0,1|0,0,0]=2 3484 B16R2.279 O=C1CCC1OC/C=C/c2cccnc2 34a_200102594124_100009892977 [0,0,0,1,0,1|1,0,0]=3 3485 B16R2.279 O=C1CCC1OCC#Cc2ccccc2 34a_100011217464_100009892977 [0,0,0,1,0,1|0,0,2]=4 3486 B16R2.279 O=C1CCC1OCC#Cc2ccccc2 7a_100011217464_100009892977 [0,0,0,1,0,1|0,0,2]=4 3487 B16R2.279 O=C1CCC1OCCCc2ccccc2 34a_100000210828_100009892977 [0,0,0,1,0,1|0,0,2]=4 3488 B16R2.279 O=C1CCC1OCCCc2ccccc2 7a_100000210828_100009892977 [0,0,0,1,0,1|0,0,2]=4 3489 B16R2.279 O=C1CCC1OCCNc2ccccc2 34a_100000211345_100009892977 [0,0,0,1,0,1|1,0,1]=4 3490 B16R2.279 O=C1CCC1OCCOc2ccccc2 34a_100000210260_100009892977 [0,0,0,1,0,1|1,0,1]=4 3491 B16R2.279 O=C1CCC1OCCOc2ccccc2 7a_100000210260_100009892977 [0,0,0,1,0,1|1,0,1]=4 3492 B16R2.279 O=C1CCC1OCCSc2ccccc2 7a_100000230494_100009892977 [0,0,0,1,0,1|1,0,1]=4 3493 B16R2.279 O=C1CCC1SC/C=C/c2ccccc2 62a_100009892977_100016265936 [0,0,0,1,0,1|0,1,0]=3 3494 B16R2.279 O=C1CCC1SC/C=C/c2ccccc2 62a_100016265936_100009892977 [0,0,0,1,0,1|0,1,0]=3 3495 B16R2.2334 CCc1nc(no1)C=Cc2ccccc2 270196a_100000735103_100000210414 [0,0,0,1,0,1|1,0,1]=4 3496 B16R2.2334 CCc1nc(no1)C=Cc2ccccc2 271570a_100102527694_100012003642 [0,0,0,1,0,1|1,0,1]=4 3497 B16R2.2832 O=C1CN(CN1)C/C=C/c2ccccc2 2230a_200000708111_100016265936 [0,0,0,1,0,1|2,0,0]=4 3498 B16R2.3192 CC1CC1COC/C=C/c2ccccc2 34a_100000744939_100016265936 [0,0,0,1,0,1|1,0,1]=4 3499 B16R2.3192 CC1CC1COC/C=C/c2ccccc2 7a_100000744939_100016265936 [0,0,0,1,0,1|1,0,1]=4 3500 B16R2.5952 CC1C(=O)OCC1=NNc2ccccc2 4a_100015195140_200009850584 [0,0,0,1,0,1|1,0,0]=3 3501 B16R2.5952 CC1C(=O)OCC1=NNc2ccccn2 4a_100000183288_200009850584 [0,0,0,1,0,1|2,0,0]=4 3502 B16R2.5952 CC1C(=O)OCC1=NNc2cccnc2 4a_100000728903_200009850584 [0,0,0,1,0,1|2,0,0]=4 3503 B16R2.5952 CC1C(=O)OCC1=NNc2ccncc2 4a_100000698918_200009850584 [0,0,0,1,0,1|2,0,0]=4 3504 B16R2.12583 CC1(CC1)COC/C=C/c2ccccc2 7a_100000698024_100016265936 [0,0,0,1,0,1|1,0,1]=4 3505 B16R2.12583 FC1(CC1)COC/C=C/c2ccccc2 34a_200000703853_100016265936 [0,0,0,1,0,1|1,0,1]=4 3506 B16R2.12583 FC1(CC1)COC/C=C/c2ccccc2 7a_200000703853_100016265936 [0,0,0,1,0,1|1,0,1]=4 3507 B16R2.49349 C(=C/c1ccccc1)\COCC2CCC2 34a_100000210256_100000763275 [0,0,0,1,0,1|1,0,1]=4 3508 B16R2.49349 C(=C/c1ccccc1)\COCC2CCC2 34a_100000760304_100016265936 [0,0,0,1,0,1|1,0,1]=4 3509 B16R2.49349 C(=C/c1ccccc1)\COCC2CCO2 34a_100000039022_100016265936 [0,0,0,1,0,1|0,0,2]=4 3510 B16R2.49349 C(=C/c1ccccc1)\COCC2CCO2 34a_100000210256_100000103362 [0,0,0,1,0,1|0,0,2]=4 3511 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210202 [0,0,0,1,0,1|1,0,1]=4 3512 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000210414_100000188474 [0,0,0,1,0,1|1,0,1]=4 3513 B16R2.170412 CCC(=O)Cc1ccnc2c1cccc2 1458a_100000210414_100015192512 [0,0,0,1,0,1|1,0,1]=4 3514 B16R2.170412 CCC(=O)Cc1nccc2c1cccc2 1458a_100000210414_100000033776 [0,0,0,1,0,1|1,0,1]=4 3515 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 11a_100000185869_100000210414 [0,0,0,1,0,1|1,0,1]=4 3516 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000210414 [0,0,0,1,0,1|1,0,1]=4 3517 B16R2.170412 CCC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000210414 [0,0,0,1,0,1|1,0,1]=4 3518 B16R2.172155 CCC(=O)COCC1Cc2c1cccc2 7a_100012476685_100000747405 [0,0,0,1,0,1|0,0,2]=4 3519 B16R2.172757 CCC(=O)c1cccc2c1cc(cc2)Br 1458a_100010238973_100000210202 [0,1,0,1,0,0|1,0,1]=4 3520 B16R2.176359 CCC(=O)Cn1ccc2c1cc(cc2)Br 1458a_200000721800_100000210202 [0,1,0,1,0,0|2,0,0]=4 3521 B16R2.176359 CCC(=O)Cn1ccc2c1cc(cc2)Cl 1458a_100000744275_100000210202 [0,1,0,1,0,0|2,0,0]=4 3522 B16R2.176359 CCC(=O)Cn1ccc2c1cc(cc2)F 1458a_100000721773_100000210202 [0,1,0,1,0,0|2,0,0]=4 3523 B16R2.8296 N#CC1(CC1)OC/C=C/c2ccccc2 34a_100000210256_100009889376 [0,1,0,1,0,0|1,0,1]=4 3524 B16R2.12569 CC1(CCC1)OC/C=C/c2ccccc2 34a_100000759064_100016265936 [0,1,0,1,0,0|1,0,1]=4 3525 B16R2.12569 CC1(CCC1)OC/C=C/c2ccccc2 7a_100000759064_100016265936 [0,1,0,1,0,0|1,0,1]=4 3526 B16R2.12569 CC1(CSC1)OC/C=C/c2ccccc2 7a_100016018533_100016265936 [0,1,0,1,0,0|1,0,1]=4 3527 B16R2.2257 C(=C/c1ccccc1)\COC2CCCC2 34a_100000210256_100000179811 [0,1,0,1,0,0|1,0,1]=4 3528 B16R2.2257 C(=C/c1ccccc1)\COC2CCCC2 34a_100000210269_100016265936 [0,1,0,1,0,0|1,0,1]=4 3529 B16R2.2257 C(=C/c1ccccc1)\COC2CCCC2 7a_100000210269_100016265936 [0,1,0,1,0,0|1,0,1]=4 3530 B16R2.2257 C(=C/c1ccccc1)\COC2CCCO2 34a_100000085407_100016265936 [0,1,0,1,0,0|0,0,2]=4 3531 B16R2.2257 C(=C/c1ccccc1)\COC2CCOC2 34a_100000210256_100000690089 [0,1,0,1,0,0|0,0,2]=4 3532 B16R2.2257 C(=C/c1ccccc1)\COC2CCSC2 7a_100011232664_100016265936 [0,1,0,1,0,0|0,1,1]=4 3533 B16R2.2257 C(=C/c1ccccc1)\CO[C@H]2CCOC2 34a_100000717292_100016265936 [0,1,0,1,0,0|0,0,2]=4 3534 B16R2.296 O=C(C=Cc1ccccc1)C2CCC2=O 1458a_100000210462_100009892977 [0,1,0,1,0,0|1,0,1]=4 3535 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [0,1,0,1,0,0|1,0,1]=4 3536 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [0,1,0,1,0,0|1,0,1]=4 3537 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 1458a_100000210414_100000737579 [0,1,0,1,0,0|1,0,1]=4 3538 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210414 [0,1,0,1,0,0|1,0,1]=4 3539 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210414 [0,1,0,1,0,0|1,0,1]=4 3540 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210414 [0,1,0,1,0,0|1,0,1]=4 3541 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210414 [0,1,0,1,0,0|1,0,1]=4 3542 B16R2.34040 CCC(=O)c1c(ccc2c1cccc2)C 1458a_100011933975_100000210202 [0,1,0,1,0,0|1,0,1]=4 3543 B16R2.34040 CCC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_100000210202 [0,1,0,1,0,0|1,0,1]=4 3544 B16R2.5 CCCC(=O)Cn1ccc2c1cccc2 1458a_100000743657_100000210303 [0,1,0,1,0,0|2,0,0]=4 3545 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 11a_100015525214_100000743657 [0,1,0,1,0,0|2,0,0]=4 3546 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 240690a_100015525214_100000743657 [0,1,0,1,0,0|2,0,0]=4 3547 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 527a_100015525214_100000743657 [0,1,0,1,0,0|2,0,0]=4 3548 B16R2.5 O=C(CCF)Cn1ccc2c1cccc2 1458a_100000743657_100011217306 [0,1,0,1,0,0|2,0,0]=4 3549 B16R2.5 O=C(CCO)Cn1ccc2c1cccc2 1458a_100000743657_100000211926 [0,1,0,1,0,0|2,0,0]=4 3550 B16R2.27717 CC(OC/C=C/c1ccccc1)C2CC2 34a_100000744524_100016265936 [0,1,0,1,0,0|1,0,1]=4 3551 B16R2.27717 CC(OC/C=C/c1ccccc1)C2CC2 7a_100000744524_100016265936 [0,1,0,1,0,0|1,0,1]=4 3552 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CC2 11a_100020603302_100000210395 [0,1,0,1,0,0|1,0,0]=3 3553 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CC2 1626a_100020603302_100000210395 [0,1,0,1,0,0|1,0,0]=3 3554 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CC2 240690a_100020603302_100000210395 [0,1,0,1,0,0|1,0,0]=3 3555 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CC2 527a_100020603302_100000210395 [0,1,0,1,0,0|1,0,0]=3 3556 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CO2 11a_100020603302_100000701028 [0,1,0,1,0,0|1,0,0]=3 3557 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CO2 1626a_100020603302_100000701028 [0,1,0,1,0,0|1,0,0]=3 3558 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CO2 240690a_100020603302_100000701028 [0,1,0,1,0,0|1,0,0]=3 3559 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CO2 527a_100020603302_100000701028 [0,1,0,1,0,0|1,0,0]=3 3560 B16R2.27717 O=C(OCNCc1ccccc1)C2CC2 2230a_100015324214_100000140896 [0,1,0,1,0,0|1,0,1]=4 3561 B16R2.27717 O=C(OCNCc1ccccc1)C2CC2 34a_100015324214_100000140896 [0,1,0,1,0,0|1,0,1]=4 3562 B16R2.27717 O=C(OCOCc1ccccc1)C2CC2 34a_100000210790_100000140896 [0,1,0,1,0,0|1,0,1]=4 3563 B16R2.27717 O=C(OCSCc1ccccc1)C2CC2 62a_100000140896_100015291786 [0,1,0,1,0,0|1,0,1]=4 3564 B16R2.27717 O=C(OCSCc1ccccc1)C2CC2 62a_100000211182_100000140896 [0,1,0,1,0,0|1,0,1]=4 3565 B16R2.160202 CCCC(=O)c1cccc2c1cccc2 1458a_100000210949_100000210303 [0,1,0,1,0,0|1,0,1]=4 3566 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 11a_100015525214_100000210949 [0,1,0,1,0,0|1,0,1]=4 3567 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 240690a_100015525214_100000210949 [0,1,0,1,0,0|1,0,1]=4 3568 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 527a_100015525214_100000210949 [0,1,0,1,0,0|1,0,1]=4 3569 B16R2.160202 CNCC(=O)c1cccc2c1cccc2 2230a_106832991635_100000211450 [0,1,0,1,0,0|1,0,1]=4 3570 B16R2.160202 CSCC(=O)c1cccc2c1cccc2 62a_100000211450_200000210301 [0,1,0,1,0,0|1,0,1]=4 3571 B16R2.160202 CSCC(=O)c1cccc2c1cccc2 62a_200000210301_100000211450 [0,1,0,1,0,0|1,0,1]=4 3572 B16R2.160202 O=C(CCF)c1cccc2c1cccc2 1458a_100000210949_100011217306 [0,1,0,1,0,0|1,0,1]=4 3573 B16R2.160202 O=C(CCO)c1cccc2c1cccc2 1458a_100000210949_100000211926 [0,1,0,1,0,0|1,0,1]=4 3574 B16R2.160202 [13CH3]SCC(=O)c1cccc2c1cccc2 62a_100000211450_200025704644 [0,1,0,1,0,0|1,0,1]=4 3575 B16R2.160202 [13CH3]SCC(=O)c1cccc2c1cccc2 62a_200025704644_100000211450 [0,1,0,1,0,0|1,0,1]=4 3576 B16R2.33901 CCC(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_100000210202 [0,1,0,1,0,0|1,0,1]=4 3577 B16R2.33901 CCC(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_100000210202 [0,1,0,1,0,0|1,0,1]=4 3578 B16R2.172716 CCC(=O)c1cccc2c1c(ccc2)Br 1458a_100000698601_100000210202 [0,1,0,1,0,0|1,0,1]=4 3579 B16R2.172716 CCC(=O)c1cccc2c1c(ccc2)C 1458a_100009854087_100000210202 [0,1,0,1,0,0|1,0,1]=4 3580 B16R2.172716 CCC(=O)c1cccc2c1c(ccc2)I 1458a_100000040841_100000210202 [0,1,0,1,0,0|1,0,1]=4 3581 B16R2.141 CCC(=O)c1ccc(s1)c2ccccc2 271570a_100011218836_200011203577 [0,1,0,1,0,0|1,0,1]=4 3582 B16R2.141 CCC(=O)c1ccc(s1)c2ccccc2 271570a_200010262806_100000210277 [0,1,0,1,0,0|1,0,1]=4 3583 B16R2.285 O=C(CCC1CCC1=O)c2ccccc2 1458a_100000185807_200016118888 [0,1,0,1,0,0|1,0,1]=4 3584 B16R2.2353 C=C(c1ccccc1)c2noc(n2)CC 271570a_100000068269_100012003642 [0,1,0,1,0,0|2,0,0]=4 3585 B16R2.2829 O=C1CC[C@H](N1)CC(=O)c2ccccc2 1458a_100000185807_100015189358 [0,1,0,1,0,0|1,0,1]=4 3586 B16R2.2829 O=C1NCC(O1)CC(=O)c2ccccc2 1458a_100000185807_100000181169 [0,1,0,1,0,0|1,0,1]=4 3587 B16R2.2829 O=C1OCC(O1)CC(=O)c2ccccc2 1458a_100000185807_100000073702 [0,1,0,1,0,0|1,0,1]=4 3588 B16R2.33556 CCC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000210202 [0,1,0,1,0,0|2,0,0]=4 3589 B16R2.33556 CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210202 [0,1,0,1,0,0|2,0,0]=4 3590 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 1626a_100016086272_100000210414 [0,1,0,1,0,0|2,0,0]=4 3591 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 240690a_100016086272_100000210414 [0,1,0,1,0,0|2,0,0]=4 3592 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 527a_100016086272_100000210414 [0,1,0,1,0,0|2,0,0]=4 3593 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_100000210202 [0,1,0,1,0,0|1,0,1]=4 3594 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)C 1458a_100011217726_100000210202 [0,1,0,1,0,0|1,0,1]=4 3595 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100000210202 [0,1,0,1,0,0|1,0,1]=4 3596 B16R2.33942 CCC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_100000210202 [0,1,0,1,0,0|1,0,1]=4 3597 B16R2.1181 CCC(=O)CCc1cc2ccccc2s1 1458a_200000069995_100000210202 [0,1,0,1,0,0|1,0,0]=3 3598 B16R2.1181 CCC(=O)CCc1cn2ccccc2n1 1458a_200011935298_100000210202 [0,1,0,1,0,0|2,0,0]=4 3599 B16R2.1181 CCC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_100000210202 [0,1,0,1,0,0|2,0,0]=4 3600 B16R2.1181 CCC(=O)CCc1nc2ccccc2s1 1458a_100000182949_100000210202 [0,1,0,1,0,0|2,0,0]=4 3601 B16R2.1181 CCC(=O)CSc1cc2ccccc2[nH]1 62a_100000747405_100010232065 [0,1,0,1,0,0|2,0,0]=4 3602 B16R2.1181 CCC(=O)CSc1cc2ccccc2o1 62a_100000747405_100010159458 [0,1,0,1,0,0|2,0,0]=4 3603 B16R2.1181 CCC(=O)CSc1cc2ccccc2s1 62a_100000747405_100009816949 [0,1,0,1,0,0|2,0,0]=4 3604 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 11a_100015204011_100000210414 [0,1,0,1,0,0|1,0,0]=3 3605 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 240690a_100015204011_100000210414 [0,1,0,1,0,0|1,0,0]=3 3606 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 527a_100015204011_100000210414 [0,1,0,1,0,0|1,0,0]=3 3607 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 11a_100011220112_100000210414 [0,1,0,1,0,0|1,0,0]=3 3608 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100000210414 [0,1,0,1,0,0|1,0,0]=3 3609 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100000210414 [0,1,0,1,0,0|1,0,0]=3 3610 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 527a_100011220112_100000210414 [0,1,0,1,0,0|1,0,0]=3 3611 B16R2.1181 CCC(=O)NCc1cc2ccccc2s1 1626a_100015187092_100000210414 [0,1,0,1,0,0|1,0,0]=3 3612 B16R2.1181 CCC(=O)NCc1cc2ccccc2s1 240690a_100015187092_100000210414 [0,1,0,1,0,0|1,0,0]=3 3613 B16R2.1181 CCC(=O)NCc1cc2ccccc2s1 527a_100015187092_100000210414 [0,1,0,1,0,0|1,0,0]=3 3614 B16R2.1181 CCC(=O)NCc1cc2ccncc2[nH]1 11a_100025703164_100000210414 [0,1,0,1,0,0|2,0,0]=4 3615 B16R2.1181 CCC(=O)NCc1cc2ccncc2[nH]1 240690a_100025703164_100000210414 [0,1,0,1,0,0|2,0,0]=4 3616 B16R2.1181 CCC(=O)NCc1cc2ccncc2[nH]1 527a_100025703164_100000210414 [0,1,0,1,0,0|2,0,0]=4 3617 B16R2.1181 CCC(=O)NCc1cc2cnccc2[nH]1 240690a_100025703177_100000210414 [0,1,0,1,0,0|2,0,0]=4 3618 B16R2.1181 CCC(=O)NCc1cc2cnccc2[nH]1 527a_100025703177_100000210414 [0,1,0,1,0,0|2,0,0]=4 3619 B16R2.1181 CCC(=O)NCc1cn2ccccc2n1 1626a_100000195574_100000210414 [0,1,0,1,0,0|2,0,0]=4 3620 B16R2.1181 CCC(=O)NCc1cn2ccccc2n1 240690a_100000195574_100000210414 [0,1,0,1,0,0|2,0,0]=4 3621 B16R2.1181 CCC(=O)NCc1cn2ccccc2n1 527a_100000195574_100000210414 [0,1,0,1,0,0|2,0,0]=4 3622 B16R2.1181 CCC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100000210414 [0,1,0,1,0,0|2,0,0]=4 3623 B16R2.1181 CCC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100000210414 [0,1,0,1,0,0|2,0,0]=4 3624 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 11a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 3625 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 3626 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 3627 B16R2.1181 CCC(=O)NCc1nc2ccccc2o1 527a_100000733820_100000210414 [0,1,0,1,0,0|2,0,0]=4 3628 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 11a_100000174905_100000210414 [0,1,0,1,0,0|2,0,0]=4 3629 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100000210414 [0,1,0,1,0,0|2,0,0]=4 3630 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100000210414 [0,1,0,1,0,0|2,0,0]=4 3631 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 527a_100000174905_100000210414 [0,1,0,1,0,0|2,0,0]=4 3632 B16R2.1181 CCC(C)OCc1cc2ccccc2o1 34a_100000233474_100011215416 [0,1,0,1,0,0|1,0,1]=4 3633 B16R2.1181 CCC(C)OCc1cc2ccccc2o1 7a_100000233474_100000758301 [0,1,0,1,0,0|1,0,1]=4 3634 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 11a_106832991635_200000069995 [0,1,0,1,0,0|2,0,0]=4 3635 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 1626a_100102657272_200000069995 [0,1,0,1,0,0|2,0,0]=4 3636 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 240690a_100102657272_200000069995 [0,1,0,1,0,0|2,0,0]=4 3637 B16R2.1181 CNC(=O)CCc1cc2ccccc2s1 527a_100102657272_200000069995 [0,1,0,1,0,0|2,0,0]=4 3638 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 2708a_100015204011_106832991635 [0,1,0,1,0,0|2,0,0]=4 3639 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 2708a_100102657272_100015204011 [0,1,0,1,0,0|2,0,0]=4 3640 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 273464a_100102657272_100015204011 [0,1,0,1,0,0|2,0,0]=4 3641 B16R2.1181 CNC(=O)NCc1cc2ccccc2[nH]1 512a_106832991638_100015204011 [0,1,0,1,0,0|2,0,0]=4 3642 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 2708a_100011220112_106832991635 [0,1,0,1,0,0|2,0,0]=4 3643 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 2708a_100102657272_100011220112 [0,1,0,1,0,0|2,0,0]=4 3644 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 273464a_100011220112_100102657272 [0,1,0,1,0,0|2,0,0]=4 3645 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 273464a_100102657272_100011220112 [0,1,0,1,0,0|2,0,0]=4 3646 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 512a_100011220112_100102657272 [0,1,0,1,0,0|2,0,0]=4 3647 B16R2.1181 CNC(=O)NCc1cc2ccccc2o1 512a_106832991638_100011220112 [0,1,0,1,0,0|2,0,0]=4 3648 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 2708a_100015187092_106832991635 [0,1,0,1,0,0|2,0,0]=4 3649 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 2708a_100102657272_100015187092 [0,1,0,1,0,0|2,0,0]=4 3650 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 273464a_100015187092_100102657272 [0,1,0,1,0,0|2,0,0]=4 3651 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 273464a_100102657272_100015187092 [0,1,0,1,0,0|2,0,0]=4 3652 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 512a_100015187092_100102657272 [0,1,0,1,0,0|2,0,0]=4 3653 B16R2.1181 CNC(=O)NCc1cc2ccccc2s1 512a_106832991638_100015187092 [0,1,0,1,0,0|2,0,0]=4 3654 B16R2.1181 O=C(CF)CCc1cc2ccccc2s1 1458a_200000069995_100015361967 [0,1,0,1,0,0|2,0,0]=4 3655 B16R2.1181 O=C(CO)NCc1cc2ccccc2[nH]1 240690a_100015204011_100000210174 [0,1,0,1,0,0|2,0,0]=4 3656 B16R2.1181 O=C(CO)NCc1cc2ccccc2[nH]1 527a_100015204011_100000210174 [0,1,0,1,0,0|2,0,0]=4 3657 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 240690a_100011220112_100000210174 [0,1,0,1,0,0|2,0,0]=4 3658 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 527a_100011220112_100000210174 [0,1,0,1,0,0|2,0,0]=4 3659 B16R2.1181 O=C(CO)NCc1cc2ccccc2s1 240690a_100015187092_100000210174 [0,1,0,1,0,0|2,0,0]=4 3660 B16R2.1181 O=C(CO)NCc1cc2ccccc2s1 527a_100015187092_100000210174 [0,1,0,1,0,0|2,0,0]=4 3661 B16R2.2843 O=C1CCC(N1)C(=O)Cc2ccccc2 1458a_100000210400_100015291786 [0,1,0,1,0,0|1,0,1]=4 3662 B16R2.2843 O=C1CCC(N1)C(=O)Nc2ccccc2 22a_100000106764_100000210400 [0,1,0,1,0,0|2,0,0]=4 3663 B16R2.2843 O=C1CC[C@H](O1)C(=O)Cc2ccccc2 1458a_100009814974_100015291786 [0,1,0,1,0,0|0,0,1]=3 3664 B16R2.2843 O=C1CC[C@H](O1)C(=O)Cc2ccccn2 1458a_100009814974_100000721315 [0,1,0,1,0,0|1,0,1]=4 3665 B16R2.2843 O=C1CC[C@H](O1)C(=O)Cc2cccnc2 1458a_100009814974_100000733263 [0,1,0,1,0,0|1,0,1]=4 3666 B16R2.2843 O=C1CC[C@H](O1)C(=O)Cc2ccncc2 1458a_100009814974_100000705612 [0,1,0,1,0,0|1,0,1]=4 3667 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 11a_100000106764_100009814974 [0,1,0,1,0,0|1,0,0]=3 3668 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 1626a_100000106764_100009814974 [0,1,0,1,0,0|1,0,0]=3 3669 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 22a_100000106764_100009814974 [0,1,0,1,0,0|1,0,0]=3 3670 B16R2.2843 O=C1CC[C@H](O1)C(=O)Nc2ccccc2 527a_100000106764_100009814974 [0,1,0,1,0,0|1,0,0]=3 3671 B16R2.10948 C/C(=C\c1ccccc1)/COC2CCC2 34a_200025717232_100000749161 [0,1,0,1,0,0|1,0,1]=4 3672 B16R2.33562 CCC(=O)Cn1c(cc2c1cccc2)C 1458a_100000209841_100000210202 [0,1,0,1,0,0|2,0,0]=4 3673 B16R2.33562 CCC(=O)NC1C(=O)Nc2c1cccc2 240690a_200000746459_100000210414 [0,1,0,1,0,0|2,0,0]=4 3674 B16R2.33951 CCC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_100000210202 [0,1,0,1,0,0|1,0,1]=4 3675 B16R2.33951 CCC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_100000210202 [0,1,0,1,0,0|1,0,1]=4 3676 B16R2.140 CCC(=O)Cn1ccc2c1cccc2Cl 1458a_200000721796_100000210202 [0,1,0,1,0,0|2,0,0]=4 3677 B16R2.140 CCC(=O)Cn1ccc2c1cccc2F 1458a_100012177210_100000210202 [0,1,0,1,0,0|2,0,0]=4 3678 B16R2.33905 CCC(=O)c1cccc2c1cccc2Br 1458a_100000188299_100000210202 [0,1,0,1,0,0|1,0,1]=4 3679 B16R2.33905 CCC(=O)c1cccc2c1cccc2F 1458a_200000069828_100000210202 [0,1,0,1,0,0|1,0,1]=4 3680 B16R2.33905 CCC(=O)c1cccc2c1cccc2O 1458a_100009866505_100000210202 [0,1,0,1,0,0|1,0,1]=4 3681 B16R2.12 CC(C)C(=O)Cn1ccc2c1cccc2 1458a_100000743657_100000210206 [0,1,0,1,0,0|2,0,0]=4 3682 B16R2.244415 CC(C)C(=O)c1cccc2c1cccc2 1458a_100000210949_100000210206 [0,1,0,1,0,0|1,0,1]=4 3683 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,0,0,0,1,0|0,0,0]=2 3684 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,0,0,0,1,0|0,0,0]=2 3685 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [1,0,0,0,1,0|1,0,1]=4 3686 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [1,0,0,0,1,0|0,0,2]=4 3687 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,0,0,0,1,0|0,0,2]=4 3688 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,0,0,0,1,0|0,0,2]=4 3689 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,0,0,0,1,0|1,0,1]=4 3690 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,0,0,0,1,0|1,0,1]=4 3691 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,0,0,0,1,0|1,0,1]=4 3692 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,0,0,0,1,0|1,0,1]=4 3693 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,0,0,0,1,0|1,0,1]=4 3694 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,0,0,0,1,0|1,0,1]=4 3695 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,0,0,0,1,0|1,0,1]=4 3696 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,0,0,0,1,0|1,0,1]=4 3697 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,0,0,0,1,0|1,0,1]=4 3698 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,0,0,0,1,0|1,0,1]=4 3699 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,0,0,0,1,0|1,0,1]=4 3700 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,0,0,0,1,0|1,0,1]=4 3701 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,0,0,0,1,0|1,0,1]=4 3702 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,0,0,0,1,0|1,0,1]=4 3703 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,0,0,0,1,0|1,0,1]=4 3704 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [1,0,0,0,1,0|2,0,0]=4 3705 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,0,0,0,1,0|1,0,0]=3 3706 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,0,0,0,1,0|1,0,0]=3 3707 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [1,0,0,0,1,0|2,0,0]=4 3708 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [1,0,0,0,1,0|2,0,0]=4 3709 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,0,0,0,1,0|1,0,0]=3 3710 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,0,0,0,1,0|1,0,0]=3 3711 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [1,0,0,0,1,0|2,0,0]=4 3712 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [1,0,0,0,1,0|2,0,0]=4 3713 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [1,0,0,0,1,0|2,0,0]=4 3714 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [1,0,0,0,1,0|2,0,0]=4 3715 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [1,0,0,0,1,0|2,0,0]=4 3716 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [1,0,0,0,1,0|2,0,0]=4 3717 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [1,0,0,0,1,0|1,0,1]=4 3718 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [1,0,0,0,1,0|2,0,0]=4 3719 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [1,0,0,0,1,0|2,0,0]=4 3720 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [1,0,0,0,1,0|2,0,0]=4 3721 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,0,0,0,1,0|0,0,0]=2 3722 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [1,0,0,0,1,0|1,0,1]=4 3723 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,0,0,0,1,0|0,0,2]=4 3724 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,0,0,0,1,0|1,0,1]=4 3725 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,0,0,0,1,0|1,0,1]=4 3726 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,0,0,0,1,0|1,0,1]=4 3727 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,0,0,0,1,0|1,0,1]=4 3728 B12R1.255 CC(=O)OCC=Cc1c[nH]cn1 271570a_200000047263_100000756875 [1,0,0,0,1,0|2,0,0]=4 3729 B12R1.255 CC(=O)OCC=Cc1cc[nH]n1 271570a_200000047263_100000062575 [1,0,0,0,1,0|2,0,0]=4 3730 B12R1.255 CC(=O)OCC=Cc1ccco1 271570a_200000047263_100009814098 [1,0,0,0,1,0|1,0,0]=3 3731 B12R1.255 CC(=O)OCC=Cc1cccs1 271570a_200000047263_100011215356 [1,0,0,0,1,0|1,0,0]=3 3732 B12R1.255 CC(=O)OCC=Cc1ccoc1 271570a_200000047263_100011215275 [1,0,0,0,1,0|1,0,0]=3 3733 B12R1.255 CC(=O)OCC=Cc1ccsc1 271570a_200000047263_100000738268 [1,0,0,0,1,0|1,0,0]=3 3734 B12R1.255 CC(=O)OCC=Cc1ccsn1 271570a_200000047263_100009818082 [1,0,0,0,1,0|2,0,0]=4 3735 B12R1.255 CC(=O)OCC=Cc1cn[nH]c1 271570a_200000047263_100000238712 [1,0,0,0,1,0|2,0,0]=4 3736 B12R1.255 CC(=O)OCC=Cc1cnco1 271570a_200000047263_100020591547 [1,0,0,0,1,0|2,0,0]=4 3737 B12R1.255 CC(=O)OCC=Cc1cncs1 271570a_200000047263_100011934649 [1,0,0,0,1,0|2,0,0]=4 3738 B12R1.255 CC(=O)OCC=Cc1cnoc1 271570a_200000047263_100009815712 [1,0,0,0,1,0|2,0,0]=4 3739 B12R1.255 CC(=O)OCC=Cc1cnsc1 271570a_200000047263_100009815736 [1,0,0,0,1,0|2,0,0]=4 3740 B12R1.255 CC(=O)OCC=Cc1cscn1 271570a_200000047263_100000751502 [1,0,0,0,1,0|2,0,0]=4 3741 B12R1.255 CC(=O)OCC=Cc1ncc[nH]1 271570a_200000047263_100025796157 [1,0,0,0,1,0|2,0,0]=4 3742 B12R1.255 CC(=O)OCC=Cc1ncco1 271570a_200000047263_100011787736 [1,0,0,0,1,0|2,0,0]=4 3743 B12R1.255 CC(=O)OCC=Cc1nccs1 271570a_200000047263_100000211983 [1,0,0,0,1,0|2,0,0]=4 3744 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,0,0,2,0|0,0,2]=4 3745 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,2,0|0,0,0]=2 3746 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,0,0,0,2,0|1,0,0]=3 3747 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,0,0,0,2,0|1,0,0]=3 3748 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,0,0,0,2,0|1,0,0]=3 3749 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,0,0,0,2,0|2,0,0]=4 3750 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,2,0|0,0,1]=3 3751 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,2,0|0,0,1]=3 3752 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,0,0,0,2,0|1,0,1]=4 3753 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,0,0,0,2,0|1,0,1]=4 3754 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,0,0,0,2,0|1,0,1]=4 3755 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,0,0,0,2,0|1,0,1]=4 3756 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,0,0,0,2,0|1,0,1]=4 3757 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,0,0,0,2,0|1,0,1]=4 3758 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,2,0|1,0,0]=3 3759 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,2,0|1,0,0]=3 3760 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,0,0,0,2,0|2,0,0]=4 3761 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,0,0,0,2,0|2,0,0]=4 3762 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,0,0,0,2,0|2,0,0]=4 3763 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,2,0|1,0,0]=3 3764 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,2,0|1,0,0]=3 3765 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,2,0|1,0,0]=3 3766 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,0,0,0,2,0|2,0,0]=4 3767 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,0,0,0,2,0|2,0,0]=4 3768 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,0,0,0,2,0|2,0,0]=4 3769 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,0,0,0,2,0|2,0,0]=4 3770 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,0,0,0,2,0|2,0,0]=4 3771 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,0,0,0,2,0|2,0,0]=4 3772 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,0,0,0,2,0|2,0,0]=4 3773 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,0,0,0,2,0|2,0,0]=4 3774 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,2,0|1,0,0]=3 3775 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,2,0|1,0,0]=3 3776 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,2,0|1,0,0]=3 3777 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,2,0|1,0,0]=3 3778 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,0,0,0,2,0|2,0,0]=4 3779 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,0,0,0,2,0|2,0,0]=4 3780 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,0,0,0,2,0|2,0,0]=4 3781 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,0,0,0,2,0|2,0,0]=4 3782 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,0,0,0,2,0|2,0,0]=4 3783 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,0,0,0,2,0|2,0,0]=4 3784 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,0,0,0,2,0|2,0,0]=4 3785 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,0,0,0,2,0|2,0,0]=4 3786 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,0,0,0,2,0|2,0,0]=4 3787 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,0,0,0,2,0|2,0,0]=4 3788 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,0,0,0,2,0|2,0,0]=4 3789 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,0,0,2,0|2,0,0]=4 3790 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,0,0,2,0|1,0,1]=4 3791 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,0,0,2,0|1,0,1]=4 3792 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,0,0,2,0|1,0,1]=4 3793 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,2,0|1,0,0]=3 3794 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,2,0|1,0,0]=3 3795 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,0,0,2,0|2,0,0]=4 3796 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,0,0,2,0|2,0,0]=4 3797 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,0,0,2,0|2,0,0]=4 3798 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,0,0,2,0|2,0,0]=4 3799 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,0,0,0,2,0|2,0,0]=4 3800 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,2,0|1,0,1]=4 3801 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,2,0|1,0,1]=4 3802 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,2,0|1,0,1]=4 3803 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,2,0|1,0,1]=4 3804 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,2,0|2,0,0]=4 3805 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,2,0|2,0,0]=4 3806 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,2,0|2,0,0]=4 3807 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,2,0|2,0,0]=4 3808 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,2,0|2,0,0]=4 3809 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,2,0|2,0,0]=4 3810 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,2,0|2,0,0]=4 3811 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,2,0|2,0,0]=4 3812 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,2,0|2,0,0]=4 3813 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,2,0|2,0,0]=4 3814 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,2,0|2,0,0]=4 3815 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,2,0|2,0,0]=4 3816 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,2,0|2,0,0]=4 3817 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,2,0|2,0,0]=4 3818 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,2,0|2,0,0]=4 3819 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,2,0|2,0,0]=4 3820 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,2,0|2,0,0]=4 3821 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,2,0|2,0,0]=4 3822 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,2,0|2,0,0]=4 3823 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,2,0|2,0,0]=4 3824 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,2,0|2,0,0]=4 3825 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,2,0|2,0,0]=4 3826 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,2,0|2,0,0]=4 3827 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,2,0|2,0,0]=4 3828 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,0,0,2,0|1,0,0]=3 3829 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,0,0,0,2,0|2,0,0]=4 3830 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,0,0,0,2,0|2,0,0]=4 3831 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [0,0,0,0,2,0|2,0,0]=4 3832 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,2,0|1,0,1]=4 3833 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,0,0,0,2,0|2,0,0]=4 3834 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,0,0,0,2,0|2,0,0]=4 3835 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,2,0|1,0,1]=4 3836 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,0,0,2,0|2,0,0]=4 3837 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,0,0,2,0|2,0,0]=4 3838 B16R1.1166 CCC(=O)COCCC#Cc1ccccc1 7a_100000760064_100000747405 [0,0,0,0,0,2|0,0,2]=4 3839 B16R1.1166 CCC(=O)COCCCCc1ccccc1 34a_100000725409_100000701786 [0,0,0,0,0,2|0,0,2]=4 3840 B16R1.1166 CCC(=O)COCCCCc1ccccc1 7a_100000703073_100000747405 [0,0,0,0,0,2|0,0,2]=4 3841 B16R1.1166 CCC(=O)COCCCOc1ccccc1 34a_100000725409_100000199009 [0,0,0,0,0,2|0,0,2]=4 3842 B16R1.1166 CCC(=O)COCCCOc1ccccc1 7a_100011215863_100000747405 [0,0,0,0,0,2|0,0,2]=4 3843 B16R1.1166 CCC(=O)COCCCSc1ccccc1 34a_100000725409_200011203293 [0,0,0,0,0,2|0,0,2]=4 3844 B16R1.1166 CCC(=O)COCCOCc1ccccc1 1458a_100012357824_100000210202 [0,0,0,0,0,2|0,0,2]=4 3845 B16R1.1166 CCC(=O)COCCOCc1ccccc1 34a_100000725409_100000234347 [0,0,0,0,0,2|0,0,2]=4 3846 B16R1.1166 CCC(=O)COCCOCc1ccccc1 7a_100000759325_100000747405 [0,0,0,0,0,2|0,0,2]=4 3847 B16R1.1166 CCC(=O)COCCSCc1ccccc1 34a_100000725409_200011297719 [0,0,0,0,0,2|0,0,2]=4 3848 B16R1.1166 CCC(=O)COCCSCc1ccccc1 7a_100011205989_100000747405 [0,0,0,0,0,2|0,0,2]=4 3849 B16R1.1166 CCC(=O)OCCOCCc1ccccc1 7a_200000031056_100000765856 [0,0,0,0,0,2|0,0,2]=4 3850 B16R1.1166 CCC(C)CCOC/C=C/c1ccccc1 7a_100011215188_100016265936 [0,0,0,0,0,2|1,0,1]=4 3851 B16R1.1166 CNC(=O)CCNC/C=C/c1ccccc1 2230a_100000738227_100016265936 [0,0,0,0,0,2|2,0,0]=4 3852 B16R1.1166 CNC(=O)CCNC/C=C/c1ccccc1 2230a_100020603302_100000737683 [0,0,0,0,0,2|2,0,0]=4 3853 B16R1.1166 CNC(=O)CCNC/C=C/c1ccccc1 34a_100000738227_100016265936 [0,0,0,0,0,2|2,0,0]=4 3854 B16R1.1166 CNC(=O)CCNC/C=C/c1ccccc1 34a_100020603302_100012179268 [0,0,0,0,0,2|2,0,0]=4 3855 B16R1.1166 CNC(=O)CCNCC=Cc1ccccc1 270004a_100000738227_100000210105 [0,0,0,0,0,2|2,0,0]=4 3856 B16R1.1166 CNC(=O)CCOC/C=C/c1ccccc1 34a_100000210256_100012179268 [0,0,0,0,0,2|1,0,0]=3 3857 B16R1.1166 CNC(=O)CCOC/C=C/c1ccccc1 34a_100000754576_100016265936 [0,0,0,0,0,2|1,0,0]=3 3858 B16R1.1166 CNC(=O)CCOC/C=C/c1cccnc1 34a_200102594124_100012179268 [0,0,0,0,0,2|2,0,0]=4 3859 B16R1.1166 CNC(=O)CCSC/C=C/c1ccccc1 62a_100000737683_100016265936 [0,0,0,0,0,2|1,1,0]=4 3860 B16R1.1166 CNC(=O)CCSC/C=C/c1ccccc1 62a_100016265936_100000737683 [0,0,0,0,0,2|1,1,0]=4 3861 B16R1.1166 COC(=O)CCNC/C=C/c1ccccc1 2230a_100020603302_100000204255 [0,0,0,0,0,2|2,0,0]=4 3862 B16R1.1166 COC(=O)CCNC/C=C/c1ccccc1 34a_100020603302_100000742370 [0,0,0,0,0,2|2,0,0]=4 3863 B16R1.1166 COC(=O)CCOC/C=C/c1ccccc1 34a_100000210256_100000742370 [0,0,0,0,0,2|1,0,0]=3 3864 B16R1.1166 COC(=O)CCOC/C=C/c1cccnc1 34a_200102594124_100000742370 [0,0,0,0,0,2|2,0,0]=4 3865 B16R1.1166 COC(=O)CCSC/C=C/c1ccccc1 62a_100000204255_100016265936 [0,0,0,0,0,2|1,1,0]=4 3866 B16R1.1166 COC(=O)CCSC/C=C/c1ccccc1 62a_100016265936_100000204255 [0,0,0,0,0,2|1,1,0]=4 3867 B16R1.1166 COC(=O)OCSC/C=C/c1ccccc1 62a_100016265936_100000139417 [0,0,0,0,0,2|1,0,0]=3