0 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730704 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730704 [0,0,0,0,0,0|2,0,2]=4 2 B15R1.5919 C=C(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730704 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730704 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 11a_100000765925_100000210462 [0,0,0,0,0,0|1,0,2]=3 5 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 1626a_100000765925_100000210462 [0,0,0,0,0,0|1,0,2]=3 6 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 11a_100000765925_100000740811 [0,0,0,0,0,0|2,0,2]=4 7 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 240690a_100000765925_100000740811 [0,0,0,0,0,0|2,0,2]=4 8 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 11a_100000765925_100000735890 [0,0,0,0,0,0|2,0,2]=4 9 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 240690a_100000765925_100000735890 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccncc1 240690a_100000765925_100000682801 [0,0,0,0,0,0|2,0,2]=4 11 B15R1.5919 CC(=CCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100000761012 [0,0,0,0,0,0|1,0,2]=3 12 B15R1.5919 CC(=CCC(=O)C=Cc1ccccn1)C 1458a_100000740811_100000761012 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.5919 CC(=CCC(=O)C=Cc1cccnc1)C 1458a_100000735890_100000761012 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.5919 CC(=CCC(=O)C=Cc1ccncc1)C 1458a_100000682801_100000761012 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.5919 CC(=NNC(C)C)C=Cc1ccccc1 4a_100000741168_100000204604 [0,0,0,0,0,0|3,0,0]=3 16 B15R1.5919 CC(=NNC(C)C)C=Cc1ccccn1 4a_100000741168_100102710650 [0,0,0,0,0,0|4,0,0]=4 17 B15R1.5919 CC(=NNc1ccccc1)CCC(C)C 4a_100015195140_100000210476 [0,0,0,0,0,0|4,0,0]=4 18 B15R1.5919 CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200000210301 [0,0,0,0,0,0|2,0,1]=3 19 B15R1.5919 CC(=O)NNC(=O)C=Cc1ccccc1 22a_100000189765_100000210462 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.5919 CC(C)C=CC(=O)CCc1ccccc1 1458a_100016268746_100000765856 [0,0,0,0,0,0|1,0,3]=4 21 B15R1.5919 CC(C)C=CC(=O)NCc1ccccc1 11a_100015324214_100016268746 [0,0,0,0,0,0|2,0,2]=4 22 B15R1.5919 CC(C)C=CC(=O)NCc1ccccc1 1626a_100015324214_100016268746 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.5919 CC(C)C=CC(=O)NCc1ccccc1 240690a_100015324214_100016268746 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.5919 CC(C)C=CC(=O)NNc1ccccc1 22a_100015195140_100016268746 [0,0,0,0,0,0|3,0,1]=4 25 B15R1.5919 CC(C)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210312 [0,0,0,0,0,0|1,0,2]=3 26 B15R1.5919 CC(C)CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210312 [0,0,0,0,0,0|2,0,2]=4 27 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [0,0,0,0,0,0|1,0,0]=1 28 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210312 [0,0,0,0,0,0|2,0,0]=2 29 B15R1.5919 CC(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210312 [0,0,0,0,0,0|2,0,0]=2 30 B15R1.5919 CC(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210312 [0,0,0,0,0,0|2,0,0]=2 31 B15R1.5919 CC(C)CCC(=O)C=Cc1cncnc1 6a_100000749868_100000210476 [0,0,0,0,0,0|3,0,0]=3 32 B15R1.5919 CC(C)CCC(=O)CCc1ccccc1 1458a_100000181311_100000765856 [0,0,0,0,0,0|1,0,2]=3 33 B15R1.5919 CC(C)CCC(=O)CCc1ccccc1 1458a_100000185753_100000210312 [0,0,0,0,0,0|1,0,2]=3 34 B15R1.5919 CC(C)CCC(=O)CCc1ccccn1 1458a_100000181311_100015183660 [0,0,0,0,0,0|2,0,2]=4 35 B15R1.5919 CC(C)CCC(=O)CCc1ccccn1 1458a_100015195070_100000210312 [0,0,0,0,0,0|2,0,2]=4 36 B15R1.5919 CC(C)CCC(=O)CCc1cccnc1 1458a_100000181311_200011713674 [0,0,0,0,0,0|2,0,2]=4 37 B15R1.5919 CC(C)CCC(=O)CCc1cccnc1 1458a_100000198484_100000210312 [0,0,0,0,0,0|2,0,2]=4 38 B15R1.5919 CC(C)CCC(=O)CCc1ccncc1 1458a_100000181311_100000723409 [0,0,0,0,0,0|2,0,2]=4 39 B15R1.5919 CC(C)CCC(=O)CCc1ccncc1 1458a_100011225043_100000210312 [0,0,0,0,0,0|2,0,2]=4 40 B15R1.5919 CC(C)CCC(=O)COc1ccccc1 1458a_100000186222_100000210312 [0,0,0,0,0,0|2,0,1]=3 41 B15R1.5919 CC(C)CCC(=O)COc1ccccn1 1458a_100102699861_100000210312 [0,0,0,0,0,0|3,0,1]=4 42 B15R1.5919 CC(C)CCC(=O)COc1cccnc1 1458a_100015207166_100000210312 [0,0,0,0,0,0|3,0,1]=4 43 B15R1.5919 CC(C)CCC(=O)CSc1ccccc1 1458a_100000211596_100000210312 [0,0,0,0,0,0|2,0,1]=3 44 B15R1.5919 CC(C)CCC(=O)CSc1ccccn1 1458a_100000156281_100000210312 [0,0,0,0,0,0|3,0,1]=4 45 B15R1.5919 CC(C)CCC(=O)CSc1ccncc1 1458a_100000211328_100000210312 [0,0,0,0,0,0|3,0,1]=4 46 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000181311 [0,0,0,0,0,0|2,0,1]=3 47 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 1626a_100015324214_100000181311 [0,0,0,0,0,0|2,0,1]=3 48 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000181311 [0,0,0,0,0,0|2,0,1]=3 49 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000181311 [0,0,0,0,0,0|2,0,1]=3 50 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 11a_100000210449_100000181311 [0,0,0,0,0,0|3,0,1]=4 51 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 1626a_100000210449_100000181311 [0,0,0,0,0,0|3,0,1]=4 52 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 240690a_100000210449_100000181311 [0,0,0,0,0,0|3,0,1]=4 53 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 527a_100000210449_100000181311 [0,0,0,0,0,0|3,0,1]=4 54 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 11a_100000210453_100000181311 [0,0,0,0,0,0|3,0,1]=4 55 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 240690a_100000210453_100000181311 [0,0,0,0,0,0|3,0,1]=4 56 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 527a_100000210453_100000181311 [0,0,0,0,0,0|3,0,1]=4 57 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 11a_100000210450_100000181311 [0,0,0,0,0,0|3,0,1]=4 58 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 1626a_100000210450_100000181311 [0,0,0,0,0,0|3,0,1]=4 59 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 240690a_100000210450_100000181311 [0,0,0,0,0,0|3,0,1]=4 60 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 527a_100000210450_100000181311 [0,0,0,0,0,0|3,0,1]=4 61 B15R1.5919 CC(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000181311 [0,0,0,0,0,0|3,0,0]=3 62 B15R1.5919 CC(C)CCC(=O)NNc1ccccn1 22a_100000183288_100000181311 [0,0,0,0,0,0|4,0,0]=4 63 B15R1.5919 CC(C)CCC(=O)NNc1cccnc1 22a_100000728903_100000181311 [0,0,0,0,0,0|4,0,0]=4 64 B15R1.5919 CC(C)CCC(=O)NNc1ccncc1 22a_100000698918_100000181311 [0,0,0,0,0,0|4,0,0]=4 65 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 240690a_100000210953_100000736102 [0,0,0,0,0,0|1,0,2]=3 66 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 11a_100000210953_100000210462 [0,0,0,0,0,0|1,0,0]=1 67 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 1626a_100000210953_100000210462 [0,0,0,0,0,0|1,0,0]=1 68 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 11a_100000210953_100000740811 [0,0,0,0,0,0|2,0,0]=2 69 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 240690a_100000210953_100000740811 [0,0,0,0,0,0|2,0,0]=2 70 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 11a_100000210953_100000735890 [0,0,0,0,0,0|2,0,0]=2 71 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 240690a_100000210953_100000735890 [0,0,0,0,0,0|2,0,0]=2 72 B15R1.5919 CC(C)CNC(=O)C=Cc1ccncc1 240690a_100000210953_100000682801 [0,0,0,0,0,0|2,0,0]=2 73 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 11a_100000210953_100000185753 [0,0,0,0,0,0|1,0,2]=3 74 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 1626a_100000210953_100000185753 [0,0,0,0,0,0|1,0,2]=3 75 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 240690a_100000210953_100000185753 [0,0,0,0,0,0|1,0,2]=3 76 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 527a_100000210953_100000185753 [0,0,0,0,0,0|1,0,2]=3 77 B15R1.5919 CC(C)CNC(=O)CCc1ccccn1 11a_100000210953_100015195070 [0,0,0,0,0,0|2,0,2]=4 78 B15R1.5919 CC(C)CNC(=O)CCc1ccccn1 240690a_100000210953_100015195070 [0,0,0,0,0,0|2,0,2]=4 79 B15R1.5919 CC(C)CNC(=O)CCc1ccccn1 527a_100000210953_100015195070 [0,0,0,0,0,0|2,0,2]=4 80 B15R1.5919 CC(C)CNC(=O)CCc1cccnc1 11a_100000210953_100000198484 [0,0,0,0,0,0|2,0,2]=4 81 B15R1.5919 CC(C)CNC(=O)CCc1cccnc1 1626a_100000210953_100000198484 [0,0,0,0,0,0|2,0,2]=4 82 B15R1.5919 CC(C)CNC(=O)CCc1cccnc1 240690a_100000210953_100000198484 [0,0,0,0,0,0|2,0,2]=4 83 B15R1.5919 CC(C)CNC(=O)CCc1cccnc1 527a_100000210953_100000198484 [0,0,0,0,0,0|2,0,2]=4 84 B15R1.5919 CC(C)CNC(=O)CCc1ccncc1 11a_100000210953_100011225043 [0,0,0,0,0,0|2,0,2]=4 85 B15R1.5919 CC(C)CNC(=O)CCc1ccncc1 240690a_100000210953_100011225043 [0,0,0,0,0,0|2,0,2]=4 86 B15R1.5919 CC(C)CNC(=O)CCc1ccncc1 527a_100000210953_100011225043 [0,0,0,0,0,0|2,0,2]=4 87 B15R1.5919 CC(C)CNC(=O)CNc1ccccc1 34a_100000106764_100000183291 [0,0,0,0,0,0|2,0,1]=3 88 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 11a_100000210953_100000186222 [0,0,0,0,0,0|2,0,1]=3 89 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 1626a_100000210953_100000186222 [0,0,0,0,0,0|2,0,1]=3 90 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 240690a_100000210953_100000186222 [0,0,0,0,0,0|2,0,1]=3 91 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 34a_100000210340_100000183291 [0,0,0,0,0,0|2,0,1]=3 92 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 527a_100000210953_100000186222 [0,0,0,0,0,0|2,0,1]=3 93 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 7a_100000210340_100000183291 [0,0,0,0,0,0|2,0,1]=3 94 B15R1.5919 CC(C)CNC(=O)COc1ccccn1 1626a_100000210953_100102699861 [0,0,0,0,0,0|3,0,1]=4 95 B15R1.5919 CC(C)CNC(=O)COc1ccccn1 240690a_100000210953_100102699861 [0,0,0,0,0,0|3,0,1]=4 96 B15R1.5919 CC(C)CNC(=O)COc1ccccn1 527a_100000210953_100102699861 [0,0,0,0,0,0|3,0,1]=4 97 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 11a_100000210953_100015207166 [0,0,0,0,0,0|3,0,1]=4 98 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 1626a_100000210953_100015207166 [0,0,0,0,0,0|3,0,1]=4 99 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 240690a_100000210953_100015207166 [0,0,0,0,0,0|3,0,1]=4 100 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 34a_100000210849_100000183291 [0,0,0,0,0,0|3,0,1]=4 101 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 527a_100000210953_100015207166 [0,0,0,0,0,0|3,0,1]=4 102 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 7a_100000210849_100000183291 [0,0,0,0,0,0|3,0,1]=4 103 B15R1.5919 CC(C)CNC(=O)COc1ccncc1 34a_100000212176_100000183291 [0,0,0,0,0,0|3,0,1]=4 104 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 11a_100000210953_100000211596 [0,0,0,0,0,0|2,0,1]=3 105 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 1626a_100000210953_100000211596 [0,0,0,0,0,0|2,0,1]=3 106 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 240690a_100000210953_100000211596 [0,0,0,0,0,0|2,0,1]=3 107 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 527a_100000210953_100000211596 [0,0,0,0,0,0|2,0,1]=3 108 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 62a_100000183291_100000041952 [0,0,0,0,0,0|2,0,1]=3 109 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 62a_100000719477_100000183291 [0,0,0,0,0,0|2,0,1]=3 110 B15R1.5919 CC(C)CNC(=O)CSc1ccccn1 11a_100000210953_100000156281 [0,0,0,0,0,0|3,0,1]=4 111 B15R1.5919 CC(C)CNC(=O)CSc1ccccn1 240690a_100000210953_100000156281 [0,0,0,0,0,0|3,0,1]=4 112 B15R1.5919 CC(C)CNC(=O)CSc1ccccn1 527a_100000210953_100000156281 [0,0,0,0,0,0|3,0,1]=4 113 B15R1.5919 CC(C)CNC(=O)CSc1ccccn1 62a_100000183291_100011216584 [0,0,0,0,0,0|3,0,1]=4 114 B15R1.5919 CC(C)CNC(=O)CSc1ccccn1 62a_100011216584_100000183291 [0,0,0,0,0,0|3,0,1]=4 115 B15R1.5919 CC(C)CNC(=O)CSc1cccnc1 62a_100000183291_100000210063 [0,0,0,0,0,0|3,0,1]=4 116 B15R1.5919 CC(C)CNC(=O)CSc1cccnc1 62a_100000210063_100000183291 [0,0,0,0,0,0|3,0,1]=4 117 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 11a_100000210953_100000211328 [0,0,0,0,0,0|3,0,1]=4 118 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 1626a_100000210953_100000211328 [0,0,0,0,0,0|3,0,1]=4 119 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 240690a_100000210953_100000211328 [0,0,0,0,0,0|3,0,1]=4 120 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 527a_100000210953_100000211328 [0,0,0,0,0,0|3,0,1]=4 121 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 62a_100000183291_100000728582 [0,0,0,0,0,0|3,0,1]=4 122 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 62a_100000728582_100000183291 [0,0,0,0,0,0|3,0,1]=4 123 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 2708a_100000210953_100015324214 [0,0,0,0,0,0|2,0,1]=3 124 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 2708a_100015324214_100000210953 [0,0,0,0,0,0|2,0,1]=3 125 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 273464a_100000210953_100015324214 [0,0,0,0,0,0|2,0,1]=3 126 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 273464a_100015324214_100000210953 [0,0,0,0,0,0|2,0,1]=3 127 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 512a_100000210953_100015324214 [0,0,0,0,0,0|2,0,1]=3 128 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 512a_100015324214_100000210953 [0,0,0,0,0,0|2,0,1]=3 129 B15R1.5919 CC(C)CNC(=O)NCc1ccccn1 2708a_100000210449_100000210953 [0,0,0,0,0,0|3,0,1]=4 130 B15R1.5919 CC(C)CNC(=O)NCc1ccccn1 2708a_100000210953_100000210449 [0,0,0,0,0,0|3,0,1]=4 131 B15R1.5919 CC(C)CNC(=O)NCc1ccccn1 273464a_100000210449_100000210953 [0,0,0,0,0,0|3,0,1]=4 132 B15R1.5919 CC(C)CNC(=O)NCc1ccccn1 273464a_100000210953_100000210449 [0,0,0,0,0,0|3,0,1]=4 133 B15R1.5919 CC(C)CNC(=O)NCc1ccccn1 512a_100000210953_100000210449 [0,0,0,0,0,0|3,0,1]=4 134 B15R1.5919 CC(C)CNC(=O)NCc1cccnc1 2708a_100000210453_100000210953 [0,0,0,0,0,0|3,0,1]=4 135 B15R1.5919 CC(C)CNC(=O)NCc1cccnc1 2708a_100000210953_100000210453 [0,0,0,0,0,0|3,0,1]=4 136 B15R1.5919 CC(C)CNC(=O)NCc1cccnc1 273464a_100000210453_100000210953 [0,0,0,0,0,0|3,0,1]=4 137 B15R1.5919 CC(C)CNC(=O)NCc1cccnc1 273464a_100000210953_100000210453 [0,0,0,0,0,0|3,0,1]=4 138 B15R1.5919 CC(C)CNC(=O)NCc1cccnc1 512a_100000210453_100000210953 [0,0,0,0,0,0|3,0,1]=4 139 B15R1.5919 CC(C)CNC(=O)NCc1cccnc1 512a_100000210953_100000210453 [0,0,0,0,0,0|3,0,1]=4 140 B15R1.5919 CC(C)CNC(=O)NCc1ccncc1 2708a_100000210450_100000210953 [0,0,0,0,0,0|3,0,1]=4 141 B15R1.5919 CC(C)CNC(=O)NCc1ccncc1 2708a_100000210953_100000210450 [0,0,0,0,0,0|3,0,1]=4 142 B15R1.5919 CC(C)CNC(=O)NCc1ccncc1 273464a_100000210450_100000210953 [0,0,0,0,0,0|3,0,1]=4 143 B15R1.5919 CC(C)CNC(=O)NCc1ccncc1 273464a_100000210953_100000210450 [0,0,0,0,0,0|3,0,1]=4 144 B15R1.5919 CC(C)CNC(=O)NCc1ccncc1 512a_100000210953_100000210450 [0,0,0,0,0,0|3,0,1]=4 145 B15R1.5919 CC(C)CNC(=O)NNc1ccccc1 273464a_100000210953_100015195140 [0,0,0,0,0,0|3,0,0]=3 146 B15R1.5919 CC(C)CNC(=O)NNc1ccccc1 512a_100000210953_100015195140 [0,0,0,0,0,0|3,0,0]=3 147 B15R1.5919 CC(C)CNC(=O)NNc1ccccn1 273464a_100000210953_100000183288 [0,0,0,0,0,0|4,0,0]=4 148 B15R1.5919 CC(C)CNC(=O)NNc1ccccn1 512a_100000210953_100000183288 [0,0,0,0,0,0|4,0,0]=4 149 B15R1.5919 CC(C)CNC(=O)NNc1cccnc1 273464a_100000210953_100000728903 [0,0,0,0,0,0|4,0,0]=4 150 B15R1.5919 CC(C)CNC(=O)NNc1cccnc1 512a_100000210953_100000728903 [0,0,0,0,0,0|4,0,0]=4 151 B15R1.5919 CC(C)CNC(=O)NNc1ccncc1 273464a_100000210953_100000698918 [0,0,0,0,0,0|4,0,0]=4 152 B15R1.5919 CC(C)CNC(=O)NNc1ccncc1 512a_100000210953_100000698918 [0,0,0,0,0,0|4,0,0]=4 153 B15R1.5919 CC(C)COC(C)C#Cc1ccccc1 34a_200000065209_100000210624 [0,0,0,0,0,0|1,0,3]=4 154 B15R1.5919 CC(C)COC(C)C#Cc1ccccc1 7a_200000065209_100000210760 [0,0,0,0,0,0|1,0,3]=4 155 B15R1.5919 CC(C)COC(C)COc1ccccc1 34a_100000210911_100000210624 [0,0,0,0,0,0|2,0,2]=4 156 B15R1.5919 CC(C)COC(C)COc1ccccc1 7a_100000210911_100000210760 [0,0,0,0,0,0|2,0,2]=4 157 B15R1.5919 CC(C)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210624 [0,0,0,0,0,0|1,0,3]=4 158 B15R1.5919 CC(C)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210760 [0,0,0,0,0,0|1,0,3]=4 159 B15R1.5919 CC(C)NCC(=O)CCc1ccccc1 2230a_100138425928_100012361361 [0,0,0,0,0,0|2,0,2]=4 160 B15R1.5919 CC(C)NCC(=O)CCc1ccccc1 34a_100138425928_100012361361 [0,0,0,0,0,0|2,0,2]=4 161 B15R1.5919 CC(C)NCC(=O)NCc1ccccc1 2230a_100000739245_100000210206 [0,0,0,0,0,0|3,0,1]=4 162 B15R1.5919 CC(C)NCC(=O)NCc1ccccc1 2230a_100138425928_100000183539 [0,0,0,0,0,0|3,0,1]=4 163 B15R1.5919 CC(C)NCC(=O)NCc1ccccc1 34a_100138425928_100000183539 [0,0,0,0,0,0|3,0,1]=4 164 B15R1.5919 CC(C)NCC(=O)OCc1ccccc1 2230a_100138425928_100000753625 [0,0,0,0,0,0|3,0,1]=4 165 B15R1.5919 CC(C)NCC(=O)OCc1ccccc1 34a_100138425928_100000753625 [0,0,0,0,0,0|3,0,1]=4 166 B15R1.5919 CC(C)NNC(=O)C#Cc1ccccc1 22a_100000741168_100000736102 [0,0,0,0,0,0|2,0,2]=4 167 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccc1 22a_100000741168_100000210462 [0,0,0,0,0,0|2,0,0]=2 168 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccn1 22a_100000741168_100000740811 [0,0,0,0,0,0|3,0,0]=3 169 B15R1.5919 CC(C)NNC(=O)C=Cc1cccnc1 22a_100000741168_100000735890 [0,0,0,0,0,0|3,0,0]=3 170 B15R1.5919 CC(C)NNC(=O)C=Cc1ccncc1 22a_100000741168_100000682801 [0,0,0,0,0,0|3,0,0]=3 171 B15R1.5919 CC(C)NNC(=O)CCc1ccccc1 22a_100000741168_100000185753 [0,0,0,0,0,0|2,0,2]=4 172 B15R1.5919 CC(C)NNC(=O)COc1ccccc1 22a_100000741168_100000186222 [0,0,0,0,0,0|3,0,1]=4 173 B15R1.5919 CC(C)NNC(=O)CSc1ccccc1 22a_100000741168_100000211596 [0,0,0,0,0,0|3,0,1]=4 174 B15R1.5919 CC(C)NNC(=O)NCc1ccccc1 273464a_100015324214_100000741168 [0,0,0,0,0,0|3,0,1]=4 175 B15R1.5919 CC(C)NNC(=O)NCc1ccccc1 512a_100000741168_100015324214 [0,0,0,0,0,0|3,0,1]=4 176 B15R1.5919 CC(C)NNC(=O)NCc1ccccc1 512a_100015324214_100000741168 [0,0,0,0,0,0|3,0,1]=4 177 B15R1.5919 CC(C)NNC(=O)NNc1ccccc1 512a_100000741168_100015195140 [0,0,0,0,0,0|4,0,0]=4 178 B15R1.5919 CC(C)OCC(=O)CCc1ccccc1 1458a_100000745533_100000765856 [0,0,0,0,0,0|2,0,2]=4 179 B15R1.5919 CC(C)OCC(=O)CCc1ccccc1 34a_100000212225_100012361361 [0,0,0,0,0,0|2,0,2]=4 180 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 11a_100015324214_100000745533 [0,0,0,0,0,0|3,0,1]=4 181 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 1626a_100015324214_100000745533 [0,0,0,0,0,0|3,0,1]=4 182 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 240690a_100015324214_100000745533 [0,0,0,0,0,0|3,0,1]=4 183 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 34a_100000212225_100000183539 [0,0,0,0,0,0|3,0,1]=4 184 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 527a_100015324214_100000745533 [0,0,0,0,0,0|3,0,1]=4 185 B15R1.5919 CC(C)OCC(=O)NNc1ccccc1 22a_100015195140_100000745533 [0,0,0,0,0,0|4,0,0]=4 186 B15R1.5919 CC(C)OCC(=O)OCc1ccccc1 34a_100000212225_100000753625 [0,0,0,0,0,0|3,0,1]=4 187 B15R1.5919 CC(C)SCC(=O)CCc1ccccc1 1458a_100000241585_100000765856 [0,0,0,0,0,0|2,0,2]=4 188 B15R1.5919 CC(C)SCC(=O)CCc1ccccc1 62a_100000210206_100012361361 [0,0,0,0,0,0|2,0,2]=4 189 B15R1.5919 CC(C)SCC(=O)CCc1ccccc1 62a_100012361361_100000210206 [0,0,0,0,0,0|2,0,2]=4 190 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 11a_100015324214_100000241585 [0,0,0,0,0,0|3,0,1]=4 191 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 1626a_100015324214_100000241585 [0,0,0,0,0,0|3,0,1]=4 192 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 240690a_100015324214_100000241585 [0,0,0,0,0,0|3,0,1]=4 193 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 527a_100015324214_100000241585 [0,0,0,0,0,0|3,0,1]=4 194 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 62a_100000183539_100000210206 [0,0,0,0,0,0|3,0,1]=4 195 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 62a_100000210206_100000183539 [0,0,0,0,0,0|3,0,1]=4 196 B15R1.5919 CC(C)SCC(=O)NNc1ccccc1 22a_100015195140_100000241585 [0,0,0,0,0,0|4,0,0]=4 197 B15R1.5919 CC(C)SCC(=O)OCc1ccccc1 62a_100000210206_100000753625 [0,0,0,0,0,0|3,0,1]=4 198 B15R1.5919 CC(C)SCC(=O)OCc1ccccc1 62a_100000753625_100000210206 [0,0,0,0,0,0|3,0,1]=4 199 B15R1.5919 CC(O)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100012276601 [0,0,0,0,0,0|2,0,2]=4 200 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100012276601 [0,0,0,0,0,0|2,0,0]=2 201 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100012276601 [0,0,0,0,0,0|3,0,0]=3 202 B15R1.5919 CC(O)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100012276601 [0,0,0,0,0,0|3,0,0]=3 203 B15R1.5919 CC(O)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100012276601 [0,0,0,0,0,0|3,0,0]=3 204 B15R1.5919 CC(O)CCC(=O)CCc1ccccc1 1458a_100000185753_100012276601 [0,0,0,0,0,0|2,0,2]=4 205 B15R1.5919 CC(O)CCC(=O)COc1ccccc1 1458a_100000186222_100012276601 [0,0,0,0,0,0|3,0,1]=4 206 B15R1.5919 CC(O)CCC(=O)CSc1ccccc1 1458a_100000211596_100012276601 [0,0,0,0,0,0|3,0,1]=4 207 B15R1.5919 CC(O)CCC(=O)NCc1ccccc1 1626a_100015324214_100000718519 [0,0,0,0,0,0|3,0,1]=4 208 B15R1.5919 CC(O)CNC(=O)C#Cc1ccccc1 240690a_100000210904_100000736102 [0,0,0,0,0,0|2,0,2]=4 209 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccc1 11a_100000210904_100000210462 [0,0,0,0,0,0|2,0,0]=2 210 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 11a_100000210904_100000740811 [0,0,0,0,0,0|3,0,0]=3 211 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 240690a_100000210904_100000740811 [0,0,0,0,0,0|3,0,0]=3 212 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 11a_100000210904_100000735890 [0,0,0,0,0,0|3,0,0]=3 213 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 240690a_100000210904_100000735890 [0,0,0,0,0,0|3,0,0]=3 214 B15R1.5919 CC(O)CNC(=O)C=Cc1ccncc1 240690a_100000210904_100000682801 [0,0,0,0,0,0|3,0,0]=3 215 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 11a_100000210904_100000185753 [0,0,0,0,0,0|2,0,2]=4 216 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 240690a_100000210904_100000185753 [0,0,0,0,0,0|2,0,2]=4 217 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 527a_100000210904_100000185753 [0,0,0,0,0,0|2,0,2]=4 218 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 11a_100000210904_100000186222 [0,0,0,0,0,0|3,0,1]=4 219 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 240690a_100000210904_100000186222 [0,0,0,0,0,0|3,0,1]=4 220 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 527a_100000210904_100000186222 [0,0,0,0,0,0|3,0,1]=4 221 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 11a_100000210904_100000211596 [0,0,0,0,0,0|3,0,1]=4 222 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 240690a_100000210904_100000211596 [0,0,0,0,0,0|3,0,1]=4 223 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 527a_100000210904_100000211596 [0,0,0,0,0,0|3,0,1]=4 224 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 2708a_100015324214_100000210904 [0,0,0,0,0,0|3,0,1]=4 225 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 273464a_100000210904_100015324214 [0,0,0,0,0,0|3,0,1]=4 226 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 273464a_100015324214_100000210904 [0,0,0,0,0,0|3,0,1]=4 227 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 512a_100000210904_100015324214 [0,0,0,0,0,0|3,0,1]=4 228 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 512a_100015324214_100000210904 [0,0,0,0,0,0|3,0,1]=4 229 B15R1.5919 CC(O)CNC(=O)NNc1ccccc1 273464a_100000210904_100015195140 [0,0,0,0,0,0|4,0,0]=4 230 B15R1.5919 CC(O)CNC(=O)NNc1ccccc1 512a_100000210904_100015195140 [0,0,0,0,0,0|4,0,0]=4 231 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000689311 [0,0,0,0,0,0|3,0,1]=4 232 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000689311 [0,0,0,0,0,0|3,0,1]=4 233 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000689311 [0,0,0,0,0,0|3,0,1]=4 234 B15R1.5919 CN(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000689311 [0,0,0,0,0,0|4,0,0]=4 235 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 2230a_100102631434_100009813219 [0,0,0,0,0,0|3,0,1]=4 236 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 269982a_100102631434_100009813219 [0,0,0,0,0,0|3,0,1]=4 237 B15R1.5919 C[S+](C)CCC(=O)CCc1ccccc1 1458a_100009452791_100000765856 [0,0,0,0,0,0|2,0,2]=4 238 B15R1.5919 C[S+](C)CCC(=O)NCc1ccccc1 11a_100015324214_100009452791 [0,0,0,0,0,0|3,0,1]=4 239 B15R1.5919 C[S+](C)CCC(=O)NCc1ccccc1 1626a_100015324214_100009452791 [0,0,0,0,0,0|3,0,1]=4 240 B15R1.5919 C[S+](C)CCC(=O)NCc1ccccc1 240690a_100015324214_100009452791 [0,0,0,0,0,0|3,0,1]=4 241 B15R1.5919 C[S+](C)CCC(=O)NNc1ccccc1 22a_100015195140_100009452791 [0,0,0,0,0,0|4,0,0]=4 242 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccc1 11a_100000711301_100000210462 [0,0,0,0,0,0|3,0,1]=4 243 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 11a_100000765723_100000210462 [0,0,0,0,0,0|3,0,0]=3 244 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 1626a_100000765723_100000210462 [0,0,0,0,0,0|3,0,0]=3 245 B15R1.5919 O=C(C=Cc1ccccn1)NCC(F)F 11a_100000765723_100000740811 [0,0,0,0,0,0|4,0,0]=4 246 B15R1.5919 O=C(C=Cc1ccccn1)NCC(F)F 240690a_100000765723_100000740811 [0,0,0,0,0,0|4,0,0]=4 247 B15R1.5919 O=C(C=Cc1cccnc1)NCC(F)F 11a_100000765723_100000735890 [0,0,0,0,0,0|4,0,0]=4 248 B15R1.5919 O=C(C=Cc1cccnc1)NCC(F)F 240690a_100000765723_100000735890 [0,0,0,0,0,0|4,0,0]=4 249 B15R1.5919 O=C(C=Cc1ccncc1)NCC(F)F 240690a_100000765723_100000682801 [0,0,0,0,0,0|4,0,0]=4 250 B15R1.5919 [13CH3]C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200025704644 [0,0,0,0,0,0|2,0,1]=3 251 B14R1.156 C#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000753159 [1,0,0,0,0,0|1,0,2]=4 252 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 11a_100000212058_100000210462 [1,0,0,0,0,0|1,0,2]=4 253 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 1626a_100000212058_100000210462 [1,0,0,0,0,0|1,0,2]=4 254 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [1,0,0,0,0,0|1,0,2]=4 255 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [1,0,0,0,0,0|1,0,2]=4 256 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 1626a_100020586998_100000210462 [1,0,0,0,0,0|1,0,2]=4 257 B14R1.156 CC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000748600 [1,0,0,0,0,0|1,0,2]=4 258 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [1,0,0,0,0,0|1,0,2]=4 259 B14R1.156 CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210211 [1,0,0,0,0,0|1,0,2]=4 260 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [1,0,0,0,0,0|1,0,0]=2 261 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [1,0,0,0,0,0|2,0,0]=3 262 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [1,0,0,0,0,0|2,0,0]=3 263 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [1,0,0,0,0,0|2,0,0]=3 264 B14R1.156 CCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000032102 [1,0,0,0,0,0|3,0,0]=4 265 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [1,0,0,0,0,0|1,0,2]=4 266 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [1,0,0,0,0,0|1,0,2]=4 267 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [1,0,0,0,0,0|2,0,1]=4 268 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [1,0,0,0,0,0|2,0,1]=4 269 B14R1.156 CCCCC(=O)NCc1ccccc1 11a_100015324214_100000210183 [1,0,0,0,0,0|2,0,1]=4 270 B14R1.156 CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000210183 [1,0,0,0,0,0|2,0,1]=4 271 B14R1.156 CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000210183 [1,0,0,0,0,0|2,0,1]=4 272 B14R1.156 CCCCC(=O)NCc1ccccc1 527a_100015324214_100000210183 [1,0,0,0,0,0|2,0,1]=4 273 B14R1.156 CCCCC(=O)NNc1ccccc1 22a_100015195140_100000210183 [1,0,0,0,0,0|3,0,0]=4 274 B14R1.156 CCCNC(=O)C#Cc1ccccc1 240690a_100020643023_100000736102 [1,0,0,0,0,0|1,0,2]=4 275 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [1,0,0,0,0,0|1,0,0]=2 276 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [1,0,0,0,0,0|1,0,0]=2 277 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [1,0,0,0,0,0|2,0,0]=3 278 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [1,0,0,0,0,0|2,0,0]=3 279 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [1,0,0,0,0,0|2,0,0]=3 280 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [1,0,0,0,0,0|2,0,0]=3 281 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [1,0,0,0,0,0|2,0,0]=3 282 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 283 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 284 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 285 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 286 B14R1.156 CCCNC(=O)CNc1ccccc1 34a_100000106764_100000183358 [1,0,0,0,0,0|2,0,1]=4 287 B14R1.156 CCCNC(=O)COc1ccccc1 11a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 288 B14R1.156 CCCNC(=O)COc1ccccc1 1626a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 289 B14R1.156 CCCNC(=O)COc1ccccc1 240690a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 290 B14R1.156 CCCNC(=O)COc1ccccc1 34a_100000210340_100000183358 [1,0,0,0,0,0|2,0,1]=4 291 B14R1.156 CCCNC(=O)COc1ccccc1 527a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 292 B14R1.156 CCCNC(=O)COc1ccccc1 7a_100000210340_100000183358 [1,0,0,0,0,0|2,0,1]=4 293 B14R1.156 CCCNC(=O)CSc1ccccc1 11a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 294 B14R1.156 CCCNC(=O)CSc1ccccc1 1626a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 295 B14R1.156 CCCNC(=O)CSc1ccccc1 240690a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 296 B14R1.156 CCCNC(=O)CSc1ccccc1 527a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 297 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000183358_100000041952 [1,0,0,0,0,0|2,0,1]=4 298 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000719477_100000183358 [1,0,0,0,0,0|2,0,1]=4 299 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100015324214_100020643023 [1,0,0,0,0,0|2,0,1]=4 300 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100020643023_100015324214 [1,0,0,0,0,0|2,0,1]=4 301 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100015324214_100020643023 [1,0,0,0,0,0|2,0,1]=4 302 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100020643023_100015324214 [1,0,0,0,0,0|2,0,1]=4 303 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100015324214_100020643023 [1,0,0,0,0,0|2,0,1]=4 304 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100020643023_100015324214 [1,0,0,0,0,0|2,0,1]=4 305 B14R1.156 CCCNC(=O)NNc1ccccc1 273464a_100020643023_100015195140 [1,0,0,0,0,0|3,0,0]=4 306 B14R1.156 CCCNC(=O)NNc1ccccc1 512a_100020643023_100015195140 [1,0,0,0,0,0|3,0,0]=4 307 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [1,0,0,0,0,0|1,0,1]=3 308 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [1,0,0,0,0,0|1,0,1]=3 309 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [1,0,0,0,0,0|1,0,1]=3 310 B14R1.156 CCCOC(=O)COc1cccnc1 34a_100000210849_200011215008 [1,0,0,0,0,0|2,0,1]=4 311 B14R1.156 CCCOC(=O)COc1cccnc1 7a_100000210849_200011215008 [1,0,0,0,0,0|2,0,1]=4 312 B14R1.156 CCCOC(=O)COc1ccncc1 34a_100000212176_200011215008 [1,0,0,0,0,0|2,0,1]=4 313 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [1,0,0,0,0,0|1,0,1]=3 314 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [1,0,0,0,0,0|1,0,1]=3 315 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_100011216584_200011215008 [1,0,0,0,0,0|2,0,1]=4 316 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_200011215008_100011216584 [1,0,0,0,0,0|2,0,1]=4 317 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_100000210063_200011215008 [1,0,0,0,0,0|2,0,1]=4 318 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_200011215008_100000210063 [1,0,0,0,0,0|2,0,1]=4 319 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_100000728582_200011215008 [1,0,0,0,0,0|2,0,1]=4 320 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_200011215008_100000728582 [1,0,0,0,0,0|2,0,1]=4 321 B14R1.156 CCNN=C(C)C=Cc1ccccc1 4a_100000756455_100000204604 [1,0,0,0,0,0|3,0,0]=4 322 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [1,0,0,0,0,0|2,0,0]=3 323 B14R1.156 CCNNC(=O)C=Cc1ccccn1 22a_100000756455_100000740811 [1,0,0,0,0,0|3,0,0]=4 324 B14R1.156 CCNNC(=O)C=Cc1cccnc1 22a_100000756455_100000735890 [1,0,0,0,0,0|3,0,0]=4 325 B14R1.156 CCNNC(=O)C=Cc1ccncc1 22a_100000756455_100000682801 [1,0,0,0,0,0|3,0,0]=4 326 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [1,0,0,0,0,0|2,0,0]=3 327 B14R1.156 COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000233755 [1,0,0,0,0,0|3,0,0]=4 328 B14R1.156 COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000233755 [1,0,0,0,0,0|3,0,0]=4 329 B14R1.156 COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000233755 [1,0,0,0,0,0|3,0,0]=4 330 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [1,0,0,0,0,0|2,0,0]=3 331 B14R1.156 CSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000751147 [1,0,0,0,0,0|3,0,0]=4 332 B14R1.156 CSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000751147 [1,0,0,0,0,0|3,0,0]=4 333 B14R1.156 CSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000751147 [1,0,0,0,0,0|3,0,0]=4 334 B14R1.156 N#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215226 [1,0,0,0,0,0|2,0,1]=4 335 B14R1.156 N#CCNC(=O)C=Cc1ccccc1 1626a_100000734998_100000210462 [1,0,0,0,0,0|2,0,1]=4 336 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [1,0,0,0,0,0|2,0,0]=3 337 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [1,0,0,0,0,0|2,0,0]=3 338 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [1,0,0,0,0,0|2,0,0]=3 339 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [1,0,0,0,0,0|2,0,0]=3 340 B14R1.156 O=C(C=Cc1ccccn1)CCCF 1458a_100000740811_100011934791 [1,0,0,0,0,0|3,0,0]=4 341 B14R1.156 O=C(C=Cc1ccccn1)CCCO 1458a_100000740811_100011215043 [1,0,0,0,0,0|3,0,0]=4 342 B14R1.156 O=C(C=Cc1ccccn1)NCCF 11a_100000724931_100000740811 [1,0,0,0,0,0|3,0,0]=4 343 B14R1.156 O=C(C=Cc1ccccn1)NCCF 240690a_100000724931_100000740811 [1,0,0,0,0,0|3,0,0]=4 344 B14R1.156 O=C(C=Cc1ccccn1)NCCO 240690a_100000210304_100000740811 [1,0,0,0,0,0|3,0,0]=4 345 B14R1.156 O=C(C=Cc1cccnc1)CCCF 1458a_100000735890_100011934791 [1,0,0,0,0,0|3,0,0]=4 346 B14R1.156 O=C(C=Cc1cccnc1)CCCO 1458a_100000735890_100011215043 [1,0,0,0,0,0|3,0,0]=4 347 B14R1.156 O=C(C=Cc1cccnc1)NCCF 11a_100000724931_100000735890 [1,0,0,0,0,0|3,0,0]=4 348 B14R1.156 O=C(C=Cc1cccnc1)NCCF 240690a_100000724931_100000735890 [1,0,0,0,0,0|3,0,0]=4 349 B14R1.156 O=C(C=Cc1cccnc1)NCCO 240690a_100000210304_100000735890 [1,0,0,0,0,0|3,0,0]=4 350 B14R1.156 O=C(C=Cc1ccncc1)CCCF 1458a_100000682801_100011934791 [1,0,0,0,0,0|3,0,0]=4 351 B14R1.156 O=C(C=Cc1ccncc1)CCCO 1458a_100000682801_100011215043 [1,0,0,0,0,0|3,0,0]=4 352 B14R1.156 O=C(C=Cc1ccncc1)NCCF 240690a_100000724931_100000682801 [1,0,0,0,0,0|3,0,0]=4 353 B14R1.156 O=C(C=Cc1ccncc1)NCCO 240690a_100000210304_100000682801 [1,0,0,0,0,0|3,0,0]=4 354 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210245_100016265936 [1,0,0,0,0,0|0,0,3]=4 355 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210256_100000748629 [1,0,0,0,0,0|0,0,3]=4 356 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [1,0,0,0,0,0|1,0,2]=4 357 B14R1.422 CC(Br)COC/C=C/c1ccccc1 34a_100012180447_100016265936 [1,0,0,0,0,0|1,0,1]=3 358 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100000210953_100016265936 [1,0,0,0,0,0|1,0,1]=3 359 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000210760 [1,0,0,0,0,0|1,0,1]=3 360 B14R1.422 CC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000210432 [1,0,0,0,0,0|1,0,1]=3 361 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100000210953_100016265936 [1,0,0,0,0,0|1,0,1]=3 362 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000210624 [1,0,0,0,0,0|1,0,1]=3 363 B14R1.422 CC(C)CNCC=Cc1ccccc1 270004a_100000210953_100000210105 [1,0,0,0,0,0|1,0,1]=3 364 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210256_100000210624 [1,0,0,0,0,0|0,0,1]=2 365 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210257_100016265936 [1,0,0,0,0,0|0,0,1]=2 366 B14R1.422 CC(C)COC/C=C/c1cccnc1 34a_200102594124_100000210624 [1,0,0,0,0,0|1,0,1]=3 367 B14R1.422 CC(C)COCC#Cc1ccccc1 34a_100000210257_100011352542 [1,0,0,0,0,0|0,0,3]=4 368 B14R1.422 CC(C)COCC#Cc1ccccc1 34a_100011217464_100000210624 [1,0,0,0,0,0|0,0,3]=4 369 B14R1.422 CC(C)COCC#Cc1ccccc1 7a_100011217464_100000210760 [1,0,0,0,0,0|0,0,3]=4 370 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210257_100000211621 [1,0,0,0,0,0|0,0,3]=4 371 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210828_100000210624 [1,0,0,0,0,0|0,0,3]=4 372 B14R1.422 CC(C)COCCCc1ccccc1 7a_100000210828_100000210760 [1,0,0,0,0,0|0,0,3]=4 373 B14R1.422 CC(C)COCCNc1ccccc1 34a_100000211345_100000210624 [1,0,0,0,0,0|1,0,2]=4 374 B14R1.422 CC(C)COCCOc1ccccc1 34a_100000210257_100000184471 [1,0,0,0,0,0|1,0,2]=4 375 B14R1.422 CC(C)COCCOc1ccccc1 34a_100000210260_100000210624 [1,0,0,0,0,0|1,0,2]=4 376 B14R1.422 CC(C)COCCOc1ccccc1 7a_100000210260_100000210760 [1,0,0,0,0,0|1,0,2]=4 377 B14R1.422 CC(C)COCCSc1ccccc1 34a_100000210257_100000246102 [1,0,0,0,0,0|1,0,2]=4 378 B14R1.422 CC(C)COCCSc1ccccc1 7a_100000230494_100000210760 [1,0,0,0,0,0|1,0,2]=4 379 B14R1.422 CC(C)COCOCc1ccccc1 34a_100000210257_100000763385 [1,0,0,0,0,0|1,0,2]=4 380 B14R1.422 CC(C)COCSCc1ccccc1 34a_100000210257_200011217039 [1,0,0,0,0,0|1,0,2]=4 381 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100000210624_100016265936 [1,0,0,0,0,0|0,1,1]=3 382 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000210760 [1,0,0,0,0,0|0,1,1]=3 383 B14R1.422 CC(C)NN=CC=Cc1ccccc1 4a_100000741168_100000210105 [1,0,0,0,0,0|2,0,0]=3 384 B14R1.422 CC(C)NN=CC=Cc1ccncc1 4a_100000741168_100000703957 [1,0,0,0,0,0|3,0,0]=4 385 B14R1.422 CC(F)COC/C=C/c1ccccc1 34a_100015925927_100016265936 [1,0,0,0,0,0|1,0,1]=3 386 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100000210904_100016265936 [1,0,0,0,0,0|2,0,1]=4 387 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218427 [1,0,0,0,0,0|2,0,1]=4 388 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100000210904_100016265936 [1,0,0,0,0,0|2,0,1]=4 389 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218427 [1,0,0,0,0,0|2,0,1]=4 390 B14R1.422 CC(O)CNCC=Cc1ccccc1 270004a_100000210904_100000210105 [1,0,0,0,0,0|2,0,1]=4 391 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [1,0,0,0,0,0|1,0,1]=3 392 B14R1.422 CC(O)COC/C=C/c1cccnc1 34a_200102594124_100011218427 [1,0,0,0,0,0|2,0,1]=4 393 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100011218427_100016265936 [1,0,0,0,0,0|1,1,1]=4 394 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218427 [1,0,0,0,0,0|1,1,1]=4 395 B14R1.422 C[C@@H](Cl)COC/C=C/c1ccccc1 34a_100016084084_100016265936 [1,0,0,0,0,0|1,0,1]=3 396 B14R1.422 C[C@@H](N)COC/C=C/c1ccccc1 34a_100000737577_100016265936 [1,0,0,0,0,0|1,0,1]=3 397 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 2230a_100020603302_100009817552 [1,0,0,0,0,0|2,0,1]=4 398 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 34a_100020603302_100009817552 [1,0,0,0,0,0|2,0,1]=4 399 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [1,0,0,0,0,0|1,0,1]=3 400 B14R1.422 C[C@@H](O)COC/C=C/c1cccnc1 34a_200102594124_100009817552 [1,0,0,0,0,0|2,0,1]=4 401 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100009817552_100016265936 [1,0,0,0,0,0|1,1,1]=4 402 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100016265936_100009817552 [1,0,0,0,0,0|1,1,1]=4 403 B14R1.422 FC(F)COC/C=C/c1ccccc1 34a_100000210256_100011934356 [1,0,0,0,0,0|2,0,1]=4 404 B14R1.422 FC(F)COC/C=C/c1ccccc1 34a_100000743014_100016265936 [1,0,0,0,0,0|2,0,1]=4 405 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000730704 [0,1,0,0,0,0|1,0,2]=4 406 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000730704 [0,1,0,0,0,0|1,0,2]=4 407 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000730704 [0,1,0,0,0,0|1,0,2]=4 408 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000730704 [0,1,0,0,0,0|1,0,2]=4 409 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 11a_100000765925_100000719032 [0,1,0,0,0,0|1,0,2]=4 410 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000765925_100000719032 [0,1,0,0,0,0|1,0,2]=4 411 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000765925_100000719032 [0,1,0,0,0,0|1,0,2]=4 412 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1C 1626a_100000765925_100016266485 [0,1,0,0,0,0|1,0,2]=4 413 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000765925_100000720304 [0,1,0,0,0,0|1,0,2]=4 414 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000765925_100000720304 [0,1,0,0,0,0|1,0,2]=4 415 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000765925_100000720304 [0,1,0,0,0,0|1,0,2]=4 416 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 11a_100000765925_100016256065 [0,1,0,0,0,0|1,0,2]=4 417 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 1626a_100000765925_100016256065 [0,1,0,0,0,0|1,0,2]=4 418 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 240690a_100000765925_100016256065 [0,1,0,0,0,0|1,0,2]=4 419 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1Br)C 1458a_100000719032_100000761012 [0,1,0,0,0,0|1,0,2]=4 420 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1Cl)C 1458a_100000720304_100000761012 [0,1,0,0,0,0|1,0,2]=4 421 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1F)C 1458a_100016256065_100000761012 [0,1,0,0,0,0|1,0,2]=4 422 B16R1.400 CC(=CCC(=O)C=Cc1ccccc1O)C 1458a_100016263591_100000761012 [0,1,0,0,0,0|1,0,2]=4 423 B16R1.400 CC(=NNC(C)C)C=Cc1ccccc1Cl 4a_100000741168_200016284137 [0,1,0,0,0,0|3,0,0]=4 424 B16R1.400 CC(C)CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210312 [0,1,0,0,0,0|1,0,2]=4 425 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210312 [0,1,0,0,0,0|1,0,0]=2 426 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210312 [0,1,0,0,0,0|1,0,0]=2 427 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210312 [0,1,0,0,0,0|1,0,0]=2 428 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210312 [0,1,0,0,0,0|1,0,0]=2 429 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Br 1458a_100000181311_100012161201 [0,1,0,0,0,0|1,0,2]=4 430 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210312 [0,1,0,0,0,0|1,0,2]=4 431 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Cl 1458a_100000181311_100011713703 [0,1,0,0,0,0|1,0,2]=4 432 B16R1.400 CC(C)CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210312 [0,1,0,0,0,0|1,0,2]=4 433 B16R1.400 CC(C)CCC(=O)CCc1ccccc1F 1458a_100000181311_100000720011 [0,1,0,0,0,0|1,0,2]=4 434 B16R1.400 CC(C)CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210312 [0,1,0,0,0,0|1,0,2]=4 435 B16R1.400 CC(C)CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210312 [0,1,0,0,0,0|1,0,2]=4 436 B16R1.400 CC(C)CCC(=O)CCc1ccccc1O 1458a_100000181311_100000722297 [0,1,0,0,0,0|1,0,2]=4 437 B16R1.400 CC(C)CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210312 [0,1,0,0,0,0|1,0,2]=4 438 B16R1.400 CC(C)CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210312 [0,1,0,0,0,0|2,0,1]=4 439 B16R1.400 CC(C)CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210312 [0,1,0,0,0,0|2,0,1]=4 440 B16R1.400 CC(C)CCC(=O)COc1ccccc1F 1458a_100000182486_100000210312 [0,1,0,0,0,0|2,0,1]=4 441 B16R1.400 CC(C)CCC(=O)COc1ccccc1O 1458a_100000183020_100000210312 [0,1,0,0,0,0|2,0,1]=4 442 B16R1.400 CC(C)CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210312 [0,1,0,0,0,0|2,0,1]=4 443 B16R1.400 CC(C)CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210312 [0,1,0,0,0,0|2,0,1]=4 444 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 11a_100000689332_100000181311 [0,1,0,0,0,0|2,0,1]=4 445 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 1626a_100000689332_100000181311 [0,1,0,0,0,0|2,0,1]=4 446 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 240690a_100000689332_100000181311 [0,1,0,0,0,0|2,0,1]=4 447 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br 527a_100000689332_100000181311 [0,1,0,0,0,0|2,0,1]=4 448 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000181311 [0,1,0,0,0,0|2,0,1]=4 449 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000181311 [0,1,0,0,0,0|2,0,1]=4 450 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000181311 [0,1,0,0,0,0|2,0,1]=4 451 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000181311 [0,1,0,0,0,0|2,0,1]=4 452 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 11a_100000174869_100000181311 [0,1,0,0,0,0|2,0,1]=4 453 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 1626a_100000174869_100000181311 [0,1,0,0,0,0|2,0,1]=4 454 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 240690a_100000174869_100000181311 [0,1,0,0,0,0|2,0,1]=4 455 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F 527a_100000174869_100000181311 [0,1,0,0,0,0|2,0,1]=4 456 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 11a_100015347259_100000181311 [0,1,0,0,0,0|2,0,1]=4 457 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 1626a_100015347259_100000181311 [0,1,0,0,0,0|2,0,1]=4 458 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 240690a_100015347259_100000181311 [0,1,0,0,0,0|2,0,1]=4 459 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I 527a_100015347259_100000181311 [0,1,0,0,0,0|2,0,1]=4 460 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O 240690a_100000185550_100000181311 [0,1,0,0,0,0|2,0,1]=4 461 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O 527a_100000185550_100000181311 [0,1,0,0,0,0|2,0,1]=4 462 B16R1.400 CC(C)CCC(=O)NNc1ccccc1Br 22a_100000241748_100000181311 [0,1,0,0,0,0|3,0,0]=4 463 B16R1.400 CC(C)CCC(=O)NNc1ccccc1Cl 22a_100000683529_100000181311 [0,1,0,0,0,0|3,0,0]=4 464 B16R1.400 CC(C)CCC(=O)NNc1ccccc1F 22a_100000239246_100000181311 [0,1,0,0,0,0|3,0,0]=4 465 B16R1.400 CC(C)CCC(=O)NNc1ccccc1I 22a_100011218156_100000181311 [0,1,0,0,0,0|3,0,0]=4 466 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 11a_100000210953_100000719032 [0,1,0,0,0,0|1,0,0]=2 467 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000210953_100000719032 [0,1,0,0,0,0|1,0,0]=2 468 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000210953_100000719032 [0,1,0,0,0,0|1,0,0]=2 469 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000210953_100000720304 [0,1,0,0,0,0|1,0,0]=2 470 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000210953_100000720304 [0,1,0,0,0,0|1,0,0]=2 471 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000210953_100000720304 [0,1,0,0,0,0|1,0,0]=2 472 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 11a_100000210953_100016256065 [0,1,0,0,0,0|1,0,0]=2 473 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 1626a_100000210953_100016256065 [0,1,0,0,0,0|1,0,0]=2 474 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 240690a_100000210953_100016256065 [0,1,0,0,0,0|1,0,0]=2 475 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Br 11a_100000210953_100000740810 [0,1,0,0,0,0|1,0,2]=4 476 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Br 1626a_100000210953_100000740810 [0,1,0,0,0,0|1,0,2]=4 477 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Br 240690a_100000210953_100000740810 [0,1,0,0,0,0|1,0,2]=4 478 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Br 527a_100000210953_100000740810 [0,1,0,0,0,0|1,0,2]=4 479 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Cl 11a_100000210953_100000184300 [0,1,0,0,0,0|1,0,2]=4 480 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Cl 1626a_100000210953_100000184300 [0,1,0,0,0,0|1,0,2]=4 481 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Cl 240690a_100000210953_100000184300 [0,1,0,0,0,0|1,0,2]=4 482 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Cl 527a_100000210953_100000184300 [0,1,0,0,0,0|1,0,2]=4 483 B16R1.400 CC(C)CNC(=O)CCc1ccccc1F 11a_100000210953_100000189703 [0,1,0,0,0,0|1,0,2]=4 484 B16R1.400 CC(C)CNC(=O)CCc1ccccc1F 1626a_100000210953_100000189703 [0,1,0,0,0,0|1,0,2]=4 485 B16R1.400 CC(C)CNC(=O)CCc1ccccc1F 240690a_100000210953_100000189703 [0,1,0,0,0,0|1,0,2]=4 486 B16R1.400 CC(C)CNC(=O)CCc1ccccc1F 527a_100000210953_100000189703 [0,1,0,0,0,0|1,0,2]=4 487 B16R1.400 CC(C)CNC(=O)CCc1ccccc1I 11a_100000210953_100000037306 [0,1,0,0,0,0|1,0,2]=4 488 B16R1.400 CC(C)CNC(=O)CCc1ccccc1I 1626a_100000210953_100000037306 [0,1,0,0,0,0|1,0,2]=4 489 B16R1.400 CC(C)CNC(=O)CCc1ccccc1I 240690a_100000210953_100000037306 [0,1,0,0,0,0|1,0,2]=4 490 B16R1.400 CC(C)CNC(=O)CCc1ccccc1I 527a_100000210953_100000037306 [0,1,0,0,0,0|1,0,2]=4 491 B16R1.400 CC(C)CNC(=O)CCc1ccccc1O 11a_100000210953_100000181328 [0,1,0,0,0,0|1,0,2]=4 492 B16R1.400 CC(C)CNC(=O)CCc1ccccc1O 240690a_100000210953_100000181328 [0,1,0,0,0,0|1,0,2]=4 493 B16R1.400 CC(C)CNC(=O)CCc1ccccc1O 527a_100000210953_100000181328 [0,1,0,0,0,0|1,0,2]=4 494 B16R1.400 CC(C)CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183291 [0,1,0,0,0,0|2,0,1]=4 495 B16R1.400 CC(C)CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183291 [0,1,0,0,0,0|2,0,1]=4 496 B16R1.400 CC(C)CNC(=O)CNc1ccccc1F 34a_100000210422_100000183291 [0,1,0,0,0,0|2,0,1]=4 497 B16R1.400 CC(C)CNC(=O)CNc1ccccc1I 34a_100000210053_100000183291 [0,1,0,0,0,0|2,0,1]=4 498 B16R1.400 CC(C)CNC(=O)CNc1ccccc1O 34a_100000185747_100000183291 [0,1,0,0,0,0|2,0,1]=4 499 B16R1.400 CC(C)CNC(=O)COc1ccccc1Br 11a_100000210953_100000216496 [0,1,0,0,0,0|2,0,1]=4 500 B16R1.400 CC(C)CNC(=O)COc1ccccc1Br 1626a_100000210953_100000216496 [0,1,0,0,0,0|2,0,1]=4 501 B16R1.400 CC(C)CNC(=O)COc1ccccc1Br 240690a_100000210953_100000216496 [0,1,0,0,0,0|2,0,1]=4 502 B16R1.400 CC(C)CNC(=O)COc1ccccc1Br 34a_100000181306_100000183291 [0,1,0,0,0,0|2,0,1]=4 503 B16R1.400 CC(C)CNC(=O)COc1ccccc1Br 527a_100000210953_100000216496 [0,1,0,0,0,0|2,0,1]=4 504 B16R1.400 CC(C)CNC(=O)COc1ccccc1Br 7a_100000181306_100000183291 [0,1,0,0,0,0|2,0,1]=4 505 B16R1.400 CC(C)CNC(=O)COc1ccccc1Cl 11a_100000210953_100000185159 [0,1,0,0,0,0|2,0,1]=4 506 B16R1.400 CC(C)CNC(=O)COc1ccccc1Cl 1626a_100000210953_100000185159 [0,1,0,0,0,0|2,0,1]=4 507 B16R1.400 CC(C)CNC(=O)COc1ccccc1Cl 240690a_100000210953_100000185159 [0,1,0,0,0,0|2,0,1]=4 508 B16R1.400 CC(C)CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183291 [0,1,0,0,0,0|2,0,1]=4 509 B16R1.400 CC(C)CNC(=O)COc1ccccc1Cl 527a_100000210953_100000185159 [0,1,0,0,0,0|2,0,1]=4 510 B16R1.400 CC(C)CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183291 [0,1,0,0,0,0|2,0,1]=4 511 B16R1.400 CC(C)CNC(=O)COc1ccccc1F 11a_100000210953_100000182486 [0,1,0,0,0,0|2,0,1]=4 512 B16R1.400 CC(C)CNC(=O)COc1ccccc1F 1626a_100000210953_100000182486 [0,1,0,0,0,0|2,0,1]=4 513 B16R1.400 CC(C)CNC(=O)COc1ccccc1F 240690a_100000210953_100000182486 [0,1,0,0,0,0|2,0,1]=4 514 B16R1.400 CC(C)CNC(=O)COc1ccccc1F 34a_100000210171_100000183291 [0,1,0,0,0,0|2,0,1]=4 515 B16R1.400 CC(C)CNC(=O)COc1ccccc1F 527a_100000210953_100000182486 [0,1,0,0,0,0|2,0,1]=4 516 B16R1.400 CC(C)CNC(=O)COc1ccccc1F 7a_100000210171_100000183291 [0,1,0,0,0,0|2,0,1]=4 517 B16R1.400 CC(C)CNC(=O)COc1ccccc1I 34a_100000739446_100000183291 [0,1,0,0,0,0|2,0,1]=4 518 B16R1.400 CC(C)CNC(=O)COc1ccccc1I 7a_100000739446_100000183291 [0,1,0,0,0,0|2,0,1]=4 519 B16R1.400 CC(C)CNC(=O)COc1ccccc1N 34a_100000185747_100000183291 [0,1,0,0,0,0|2,0,1]=4 520 B16R1.400 CC(C)CNC(=O)COc1ccccc1N 7a_100000185747_100000183291 [0,1,0,0,0,0|2,0,1]=4 521 B16R1.400 CC(C)CNC(=O)COc1ccccc1O 240690a_100000210953_100000183020 [0,1,0,0,0,0|2,0,1]=4 522 B16R1.400 CC(C)CNC(=O)COc1ccccc1O 527a_100000210953_100000183020 [0,1,0,0,0,0|2,0,1]=4 523 B16R1.400 CC(C)CNC(=O)CSc1ccccc1Br 62a_100000183291_100000695589 [0,1,0,0,0,0|2,0,1]=4 524 B16R1.400 CC(C)CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183291 [0,1,0,0,0,0|2,0,1]=4 525 B16R1.400 CC(C)CNC(=O)CSc1ccccc1Cl 62a_100000183291_100000764095 [0,1,0,0,0,0|2,0,1]=4 526 B16R1.400 CC(C)CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183291 [0,1,0,0,0,0|2,0,1]=4 527 B16R1.400 CC(C)CNC(=O)CSc1ccccc1F 11a_100000210953_100000179528 [0,1,0,0,0,0|2,0,1]=4 528 B16R1.400 CC(C)CNC(=O)CSc1ccccc1F 1626a_100000210953_100000179528 [0,1,0,0,0,0|2,0,1]=4 529 B16R1.400 CC(C)CNC(=O)CSc1ccccc1F 240690a_100000210953_100000179528 [0,1,0,0,0,0|2,0,1]=4 530 B16R1.400 CC(C)CNC(=O)CSc1ccccc1F 62a_100000183291_100011215700 [0,1,0,0,0,0|2,0,1]=4 531 B16R1.400 CC(C)CNC(=O)CSc1ccccc1F 62a_100011215700_100000183291 [0,1,0,0,0,0|2,0,1]=4 532 B16R1.400 CC(C)CNC(=O)CSc1ccccc1N 62a_100000183291_100000210017 [0,1,0,0,0,0|2,0,1]=4 533 B16R1.400 CC(C)CNC(=O)CSc1ccccc1N 62a_100000210017_100000183291 [0,1,0,0,0,0|2,0,1]=4 534 B16R1.400 CC(C)CNC(=O)CSc1ccccc1O 240690a_100000210953_100000695322 [0,1,0,0,0,0|2,0,1]=4 535 B16R1.400 CC(C)CNC(=O)CSc1ccccc1O 527a_100000210953_100000695322 [0,1,0,0,0,0|2,0,1]=4 536 B16R1.400 CC(C)CNC(=O)CSc1ccccc1O 62a_100000183291_100000739446 [0,1,0,0,0,0|2,0,1]=4 537 B16R1.400 CC(C)CNC(=O)CSc1ccccc1O 62a_100000739446_100000183291 [0,1,0,0,0,0|2,0,1]=4 538 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Br 2708a_100000210953_100000689332 [0,1,0,0,0,0|2,0,1]=4 539 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Br 2708a_100000689332_100000210953 [0,1,0,0,0,0|2,0,1]=4 540 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Br 273464a_100000210953_100000689332 [0,1,0,0,0,0|2,0,1]=4 541 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Br 273464a_100000689332_100000210953 [0,1,0,0,0,0|2,0,1]=4 542 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Br 512a_100000210953_100000689332 [0,1,0,0,0,0|2,0,1]=4 543 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Br 512a_100000689332_100000210953 [0,1,0,0,0,0|2,0,1]=4 544 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Cl 2708a_100000174879_100000210953 [0,1,0,0,0,0|2,0,1]=4 545 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Cl 2708a_100000210953_100000174879 [0,1,0,0,0,0|2,0,1]=4 546 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100000210953 [0,1,0,0,0,0|2,0,1]=4 547 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Cl 273464a_100000210953_100000174879 [0,1,0,0,0,0|2,0,1]=4 548 B16R1.400 CC(C)CNC(=O)NCc1ccccc1Cl 512a_100000210953_100000174879 [0,1,0,0,0,0|2,0,1]=4 549 B16R1.400 CC(C)CNC(=O)NCc1ccccc1F 2708a_100000174869_100000210953 [0,1,0,0,0,0|2,0,1]=4 550 B16R1.400 CC(C)CNC(=O)NCc1ccccc1F 2708a_100000210953_100000174869 [0,1,0,0,0,0|2,0,1]=4 551 B16R1.400 CC(C)CNC(=O)NCc1ccccc1F 273464a_100000174869_100000210953 [0,1,0,0,0,0|2,0,1]=4 552 B16R1.400 CC(C)CNC(=O)NCc1ccccc1F 273464a_100000210953_100000174869 [0,1,0,0,0,0|2,0,1]=4 553 B16R1.400 CC(C)CNC(=O)NCc1ccccc1F 512a_100000174869_100000210953 [0,1,0,0,0,0|2,0,1]=4 554 B16R1.400 CC(C)CNC(=O)NCc1ccccc1F 512a_100000210953_100000174869 [0,1,0,0,0,0|2,0,1]=4 555 B16R1.400 CC(C)CNC(=O)NCc1ccccc1I 2708a_100000210953_100015347259 [0,1,0,0,0,0|2,0,1]=4 556 B16R1.400 CC(C)CNC(=O)NCc1ccccc1I 2708a_100015347259_100000210953 [0,1,0,0,0,0|2,0,1]=4 557 B16R1.400 CC(C)CNC(=O)NCc1ccccc1I 273464a_100000210953_100015347259 [0,1,0,0,0,0|2,0,1]=4 558 B16R1.400 CC(C)CNC(=O)NCc1ccccc1I 273464a_100015347259_100000210953 [0,1,0,0,0,0|2,0,1]=4 559 B16R1.400 CC(C)CNC(=O)NCc1ccccc1I 512a_100000210953_100015347259 [0,1,0,0,0,0|2,0,1]=4 560 B16R1.400 CC(C)CNC(=O)NCc1ccccc1I 512a_100015347259_100000210953 [0,1,0,0,0,0|2,0,1]=4 561 B16R1.400 CC(C)CNC(=O)NCc1ccccc1O 2708a_100000185550_100000210953 [0,1,0,0,0,0|2,0,1]=4 562 B16R1.400 CC(C)CNC(=O)NCc1ccccc1O 2708a_100000210953_100000185550 [0,1,0,0,0,0|2,0,1]=4 563 B16R1.400 CC(C)CNC(=O)NCc1ccccc1O 273464a_100000185550_100000210953 [0,1,0,0,0,0|2,0,1]=4 564 B16R1.400 CC(C)CNC(=O)NCc1ccccc1O 273464a_100000210953_100000185550 [0,1,0,0,0,0|2,0,1]=4 565 B16R1.400 CC(C)CNC(=O)NCc1ccccc1O 512a_100000185550_100000210953 [0,1,0,0,0,0|2,0,1]=4 566 B16R1.400 CC(C)CNC(=O)NNc1ccccc1Br 273464a_100000210953_100000241748 [0,1,0,0,0,0|3,0,0]=4 567 B16R1.400 CC(C)CNC(=O)NNc1ccccc1Br 512a_100000210953_100000241748 [0,1,0,0,0,0|3,0,0]=4 568 B16R1.400 CC(C)CNC(=O)NNc1ccccc1Cl 273464a_100000210953_100000683529 [0,1,0,0,0,0|3,0,0]=4 569 B16R1.400 CC(C)CNC(=O)NNc1ccccc1Cl 512a_100000210953_100000683529 [0,1,0,0,0,0|3,0,0]=4 570 B16R1.400 CC(C)CNC(=O)NNc1ccccc1F 273464a_100000210953_100000239246 [0,1,0,0,0,0|3,0,0]=4 571 B16R1.400 CC(C)CNC(=O)NNc1ccccc1F 512a_100000210953_100000239246 [0,1,0,0,0,0|3,0,0]=4 572 B16R1.400 CC(C)CNC(=O)NNc1ccccc1I 273464a_100000210953_100011218156 [0,1,0,0,0,0|3,0,0]=4 573 B16R1.400 CC(C)CNC(=O)NNc1ccccc1I 512a_100000210953_100011218156 [0,1,0,0,0,0|3,0,0]=4 574 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1Br 22a_100000741168_100000719032 [0,1,0,0,0,0|2,0,0]=3 575 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1Cl 22a_100000741168_100000720304 [0,1,0,0,0,0|2,0,0]=3 576 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1F 22a_100000741168_100016256065 [0,1,0,0,0,0|2,0,0]=3 577 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1O 22a_100000741168_100016263591 [0,1,0,0,0,0|2,0,0]=3 578 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100012276601 [0,1,0,0,0,0|2,0,0]=3 579 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100012276601 [0,1,0,0,0,0|2,0,0]=3 580 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100012276601 [0,1,0,0,0,0|2,0,0]=3 581 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100012276601 [0,1,0,0,0,0|2,0,0]=3 582 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br 11a_100000210904_100000719032 [0,1,0,0,0,0|2,0,0]=3 583 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br 240690a_100000210904_100000719032 [0,1,0,0,0,0|2,0,0]=3 584 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Cl 11a_100000210904_100000720304 [0,1,0,0,0,0|2,0,0]=3 585 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000210904_100000720304 [0,1,0,0,0,0|2,0,0]=3 586 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1F 11a_100000210904_100016256065 [0,1,0,0,0,0|2,0,0]=3 587 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1F 240690a_100000210904_100016256065 [0,1,0,0,0,0|2,0,0]=3 588 B16R1.400 Cc1ccccc1C=CC(=O)NCC(C)C 1626a_100000210953_100016266485 [0,1,0,0,0,0|1,0,0]=2 589 B16R1.400 Cc1ccccc1C=CC(=O)NCC(F)F 1626a_100000765723_100016266485 [0,1,0,0,0,0|3,0,0]=4 590 B16R1.400 Cc1ccccc1C=CC(=O)NNC(C)C 22a_100000741168_100016266485 [0,1,0,0,0,0|2,0,0]=3 591 B16R1.400 Cc1ccccc1CCC(=O)CCC(C)C 1458a_100000181311_100011713688 [0,1,0,0,0,0|1,0,2]=4 592 B16R1.400 Cc1ccccc1CCC(=O)CCC(C)C 1458a_100000748742_100000210312 [0,1,0,0,0,0|1,0,2]=4 593 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)C 11a_100000210953_100000748742 [0,1,0,0,0,0|1,0,2]=4 594 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)C 1626a_100000210953_100000748742 [0,1,0,0,0,0|1,0,2]=4 595 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)C 240690a_100000210953_100000748742 [0,1,0,0,0,0|1,0,2]=4 596 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)C 527a_100000210953_100000748742 [0,1,0,0,0,0|1,0,2]=4 597 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 11a_100000174972_100000181311 [0,1,0,0,0,0|2,0,1]=4 598 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 1626a_100000174972_100000181311 [0,1,0,0,0,0|2,0,1]=4 599 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 240690a_100000174972_100000181311 [0,1,0,0,0,0|2,0,1]=4 600 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C 527a_100000174972_100000181311 [0,1,0,0,0,0|2,0,1]=4 601 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)C 2708a_100000174972_100000210953 [0,1,0,0,0,0|2,0,1]=4 602 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)C 2708a_100000210953_100000174972 [0,1,0,0,0,0|2,0,1]=4 603 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)C 273464a_100000174972_100000210953 [0,1,0,0,0,0|2,0,1]=4 604 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)C 273464a_100000210953_100000174972 [0,1,0,0,0,0|2,0,1]=4 605 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)C 512a_100000174972_100000210953 [0,1,0,0,0,0|2,0,1]=4 606 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)C 512a_100000210953_100000174972 [0,1,0,0,0,0|2,0,1]=4 607 B16R1.400 Cc1ccccc1NCC(=O)NCC(C)C 34a_100015192222_100000183291 [0,1,0,0,0,0|2,0,1]=4 608 B16R1.400 Cc1ccccc1NNC(=O)CCC(C)C 22a_100000184220_100000181311 [0,1,0,0,0,0|3,0,0]=4 609 B16R1.400 Cc1ccccc1NNC(=O)NCC(C)C 273464a_100000210953_100000184220 [0,1,0,0,0,0|3,0,0]=4 610 B16R1.400 Cc1ccccc1NNC(=O)NCC(C)C 512a_100000210953_100000184220 [0,1,0,0,0,0|3,0,0]=4 611 B16R1.400 Cc1ccccc1OCC(=O)CCC(C)C 1458a_100000182418_100000210312 [0,1,0,0,0,0|2,0,1]=4 612 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C 11a_100000210953_100000182418 [0,1,0,0,0,0|2,0,1]=4 613 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C 1626a_100000210953_100000182418 [0,1,0,0,0,0|2,0,1]=4 614 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C 240690a_100000210953_100000182418 [0,1,0,0,0,0|2,0,1]=4 615 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C 34a_100000210338_100000183291 [0,1,0,0,0,0|2,0,1]=4 616 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C 527a_100000210953_100000182418 [0,1,0,0,0,0|2,0,1]=4 617 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C 7a_100000210338_100000183291 [0,1,0,0,0,0|2,0,1]=4 618 B16R1.400 Cc1ccccc1SCC(=O)CCC(C)C 1458a_100000183026_100000210312 [0,1,0,0,0,0|2,0,1]=4 619 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)C 11a_100000210953_100000183026 [0,1,0,0,0,0|2,0,1]=4 620 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)C 1626a_100000210953_100000183026 [0,1,0,0,0,0|2,0,1]=4 621 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)C 240690a_100000210953_100000183026 [0,1,0,0,0,0|2,0,1]=4 622 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)C 527a_100000210953_100000183026 [0,1,0,0,0,0|2,0,1]=4 623 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)C 62a_100000183291_100000210755 [0,1,0,0,0,0|2,0,1]=4 624 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)C 62a_100000210755_100000183291 [0,1,0,0,0,0|2,0,1]=4 625 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F 11a_100000765723_100000719032 [0,1,0,0,0,0|3,0,0]=4 626 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F 1626a_100000765723_100000719032 [0,1,0,0,0,0|3,0,0]=4 627 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F 240690a_100000765723_100000719032 [0,1,0,0,0,0|3,0,0]=4 628 B16R1.400 O=C(C=Cc1ccccc1Cl)NCC(F)F 11a_100000765723_100000720304 [0,1,0,0,0,0|3,0,0]=4 629 B16R1.400 O=C(C=Cc1ccccc1Cl)NCC(F)F 1626a_100000765723_100000720304 [0,1,0,0,0,0|3,0,0]=4 630 B16R1.400 O=C(C=Cc1ccccc1Cl)NCC(F)F 240690a_100000765723_100000720304 [0,1,0,0,0,0|3,0,0]=4 631 B16R1.400 O=C(C=Cc1ccccc1F)NCC(F)F 11a_100000765723_100016256065 [0,1,0,0,0,0|3,0,0]=4 632 B16R1.400 O=C(C=Cc1ccccc1F)NCC(F)F 1626a_100000765723_100016256065 [0,1,0,0,0,0|3,0,0]=4 633 B16R1.400 O=C(C=Cc1ccccc1F)NCC(F)F 240690a_100000765723_100016256065 [0,1,0,0,0,0|3,0,0]=4 634 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000730704 [0,1,0,0,0,0|1,0,2]=4 635 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000730704 [0,1,0,0,0,0|1,0,2]=4 636 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000730704 [0,1,0,0,0,0|1,0,2]=4 637 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000730704 [0,1,0,0,0,0|1,0,2]=4 638 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000730704 [0,1,0,0,0,0|1,0,2]=4 639 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000765925_100016267368 [0,1,0,0,0,0|1,0,2]=4 640 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000765925_100016267368 [0,1,0,0,0,0|1,0,2]=4 641 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 11a_100000765925_100000716854 [0,1,0,0,0,0|1,0,2]=4 642 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 1626a_100000765925_100000716854 [0,1,0,0,0,0|1,0,2]=4 643 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 240690a_100000765925_100000716854 [0,1,0,0,0,0|1,0,2]=4 644 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000765925_100000184863 [0,1,0,0,0,0|1,0,2]=4 645 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000765925_100000184863 [0,1,0,0,0,0|1,0,2]=4 646 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000765925_100000184863 [0,1,0,0,0,0|1,0,2]=4 647 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000765925_100000182136 [0,1,0,0,0,0|1,0,2]=4 648 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000765925_100000182136 [0,1,0,0,0,0|1,0,2]=4 649 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000765925_100000182136 [0,1,0,0,0,0|1,0,2]=4 650 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000765925_100102526154 [0,1,0,0,0,0|1,0,2]=4 651 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000765925_100102526154 [0,1,0,0,0,0|1,0,2]=4 652 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000765925_100102526154 [0,1,0,0,0,0|1,0,2]=4 653 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000765925_100016269017 [0,1,0,0,0,0|1,0,2]=4 654 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)Br)C 1458a_100016267368_100000761012 [0,1,0,0,0,0|1,0,2]=4 655 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)C)C 1458a_100000716854_100000761012 [0,1,0,0,0,0|1,0,2]=4 656 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)Cl)C 1458a_100000184863_100000761012 [0,1,0,0,0,0|1,0,2]=4 657 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)F)C 1458a_100000182136_100000761012 [0,1,0,0,0,0|1,0,2]=4 658 B16R1.1061 CC(=CCC(=O)C=Cc1ccc(cc1)I)C 1458a_100102526154_100000761012 [0,1,0,0,0,0|1,0,2]=4 659 B16R1.1061 CC(=NNC(C)C)C=Cc1ccc(cc1)Br 4a_100000741168_200016259395 [0,1,0,0,0,0|3,0,0]=4 660 B16R1.1061 CC(=NNC(C)C)C=Cc1ccc(cc1)Cl 4a_100000741168_100016256711 [0,1,0,0,0,0|3,0,0]=4 661 B16R1.1061 CC(=NNC(C)C)C=Cc1ccc(cc1)O 4a_100000741168_100000189429 [0,1,0,0,0,0|3,0,0]=4 662 B16R1.1061 CC(C)CCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210312 [0,1,0,0,0,0|1,0,2]=4 663 B16R1.1061 CC(C)CCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210312 [0,1,0,0,0,0|1,0,2]=4 664 B16R1.1061 CC(C)CCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210312 [0,1,0,0,0,0|1,0,2]=4 665 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210312 [0,1,0,0,0,0|1,0,0]=2 666 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210476 [0,1,0,0,0,0|1,0,0]=2 667 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210312 [0,1,0,0,0,0|1,0,0]=2 668 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210312 [0,1,0,0,0,0|1,0,0]=2 669 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210476 [0,1,0,0,0,0|1,0,0]=2 670 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210312 [0,1,0,0,0,0|1,0,0]=2 671 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210476 [0,1,0,0,0,0|1,0,0]=2 672 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000210476 [0,1,0,0,0,0|2,0,0]=3 673 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210312 [0,1,0,0,0,0|2,0,0]=3 674 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000210476 [0,1,0,0,0,0|2,0,0]=3 675 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210312 [0,1,0,0,0,0|2,0,0]=3 676 B16R1.1061 CC(C)CCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000210476 [0,1,0,0,0,0|3,0,0]=4 677 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Br 1458a_100000181311_100011740612 [0,1,0,0,0,0|1,0,2]=4 678 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210312 [0,1,0,0,0,0|1,0,2]=4 679 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Cl 1458a_100000181311_100011713675 [0,1,0,0,0,0|1,0,2]=4 680 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210312 [0,1,0,0,0,0|1,0,2]=4 681 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)F 1458a_100000181311_100011217392 [0,1,0,0,0,0|1,0,2]=4 682 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210312 [0,1,0,0,0,0|1,0,2]=4 683 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210312 [0,1,0,0,0,0|1,0,2]=4 684 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)O 1458a_100000181311_100009816426 [0,1,0,0,0,0|1,0,2]=4 685 B16R1.1061 CC(C)CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210312 [0,1,0,0,0,0|1,0,2]=4 686 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210312 [0,1,0,0,0,0|2,0,1]=4 687 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210312 [0,1,0,0,0,0|2,0,1]=4 688 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210312 [0,1,0,0,0,0|2,0,1]=4 689 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210312 [0,1,0,0,0,0|2,0,1]=4 690 B16R1.1061 CC(C)CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210312 [0,1,0,0,0,0|2,0,1]=4 691 B16R1.1061 CC(C)CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210312 [0,1,0,0,0,0|2,0,1]=4 692 B16R1.1061 CC(C)CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210312 [0,1,0,0,0,0|2,0,1]=4 693 B16R1.1061 CC(C)CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210312 [0,1,0,0,0,0|2,0,1]=4 694 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000181311 [0,1,0,0,0,0|2,0,1]=4 695 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000181311 [0,1,0,0,0,0|2,0,1]=4 696 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000181311 [0,1,0,0,0,0|2,0,1]=4 697 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000181311 [0,1,0,0,0,0|2,0,1]=4 698 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000181311 [0,1,0,0,0,0|2,0,1]=4 699 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000181311 [0,1,0,0,0,0|2,0,1]=4 700 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000181311 [0,1,0,0,0,0|2,0,1]=4 701 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000181311 [0,1,0,0,0,0|2,0,1]=4 702 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000181311 [0,1,0,0,0,0|2,0,1]=4 703 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000181311 [0,1,0,0,0,0|2,0,1]=4 704 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000181311 [0,1,0,0,0,0|2,0,1]=4 705 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000181311 [0,1,0,0,0,0|2,0,1]=4 706 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000181311 [0,1,0,0,0,0|2,0,1]=4 707 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000181311 [0,1,0,0,0,0|2,0,1]=4 708 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000181311 [0,1,0,0,0,0|2,0,1]=4 709 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000181311 [0,1,0,0,0,0|2,0,1]=4 710 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000181311 [0,1,0,0,0,0|2,0,1]=4 711 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000181311 [0,1,0,0,0,0|2,0,1]=4 712 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000181311 [0,1,0,0,0,0|3,0,0]=4 713 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000181311 [0,1,0,0,0,0|3,0,0]=4 714 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000181311 [0,1,0,0,0,0|3,0,0]=4 715 B16R1.1061 CC(C)CCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000181311 [0,1,0,0,0,0|3,0,0]=4 716 B16R1.1061 CC(C)CNC(=O)C#Cc1ccc(cc1)Cl 240690a_100000210953_100011892723 [0,1,0,0,0,0|1,0,2]=4 717 B16R1.1061 CC(C)CNC(=O)C#Cc1ccc(cc1)F 240690a_100000210953_100000238512 [0,1,0,0,0,0|1,0,2]=4 718 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000210953_100016267368 [0,1,0,0,0,0|1,0,0]=2 719 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000210953_100016267368 [0,1,0,0,0,0|1,0,0]=2 720 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210953_100000184863 [0,1,0,0,0,0|1,0,0]=2 721 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000210953_100000184863 [0,1,0,0,0,0|1,0,0]=2 722 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210953_100000184863 [0,1,0,0,0,0|1,0,0]=2 723 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000210953_100000182136 [0,1,0,0,0,0|1,0,0]=2 724 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000210953_100000182136 [0,1,0,0,0,0|1,0,0]=2 725 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000210953_100000182136 [0,1,0,0,0,0|1,0,0]=2 726 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000210953_100102526154 [0,1,0,0,0,0|1,0,0]=2 727 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000210953_100102526154 [0,1,0,0,0,0|1,0,0]=2 728 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000210953_100102526154 [0,1,0,0,0,0|1,0,0]=2 729 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210953_100016269017 [0,1,0,0,0,0|1,0,0]=2 730 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 11a_100000210953_100020630499 [0,1,0,0,0,0|2,0,0]=3 731 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100000210953_100020630499 [0,1,0,0,0,0|2,0,0]=3 732 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000210953_100020630499 [0,1,0,0,0,0|2,0,0]=3 733 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000210953_100020588214 [0,1,0,0,0,0|2,0,0]=3 734 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100000210953_100020588214 [0,1,0,0,0,0|2,0,0]=3 735 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210953_100020588214 [0,1,0,0,0,0|2,0,0]=3 736 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Br 11a_100000210953_100000217147 [0,1,0,0,0,0|1,0,2]=4 737 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Br 1626a_100000210953_100000217147 [0,1,0,0,0,0|1,0,2]=4 738 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Br 240690a_100000210953_100000217147 [0,1,0,0,0,0|1,0,2]=4 739 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Br 527a_100000210953_100000217147 [0,1,0,0,0,0|1,0,2]=4 740 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Cl 11a_100000210953_100000235379 [0,1,0,0,0,0|1,0,2]=4 741 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Cl 1626a_100000210953_100000235379 [0,1,0,0,0,0|1,0,2]=4 742 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Cl 240690a_100000210953_100000235379 [0,1,0,0,0,0|1,0,2]=4 743 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Cl 527a_100000210953_100000235379 [0,1,0,0,0,0|1,0,2]=4 744 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)F 11a_100000210953_100000198493 [0,1,0,0,0,0|1,0,2]=4 745 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)F 1626a_100000210953_100000198493 [0,1,0,0,0,0|1,0,2]=4 746 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)F 240690a_100000210953_100000198493 [0,1,0,0,0,0|1,0,2]=4 747 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)F 527a_100000210953_100000198493 [0,1,0,0,0,0|1,0,2]=4 748 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)I 11a_100000210953_100011217499 [0,1,0,0,0,0|1,0,2]=4 749 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)I 1626a_100000210953_100011217499 [0,1,0,0,0,0|1,0,2]=4 750 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)I 240690a_100000210953_100011217499 [0,1,0,0,0,0|1,0,2]=4 751 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)I 527a_100000210953_100011217499 [0,1,0,0,0,0|1,0,2]=4 752 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)O 240690a_100000210953_100000742835 [0,1,0,0,0,0|1,0,2]=4 753 B16R1.1061 CC(C)CNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183291 [0,1,0,0,0,0|2,0,1]=4 754 B16R1.1061 CC(C)CNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183291 [0,1,0,0,0,0|2,0,1]=4 755 B16R1.1061 CC(C)CNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183291 [0,1,0,0,0,0|2,0,1]=4 756 B16R1.1061 CC(C)CNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183291 [0,1,0,0,0,0|2,0,1]=4 757 B16R1.1061 CC(C)CNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183291 [0,1,0,0,0,0|2,0,1]=4 758 B16R1.1061 CC(C)CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183291 [0,1,0,0,0,0|2,0,1]=4 759 B16R1.1061 CC(C)CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183291 [0,1,0,0,0,0|2,0,1]=4 760 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Br 11a_100000210953_100000182358 [0,1,0,0,0,0|2,0,1]=4 761 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Br 1626a_100000210953_100000182358 [0,1,0,0,0,0|2,0,1]=4 762 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Br 240690a_100000210953_100000182358 [0,1,0,0,0,0|2,0,1]=4 763 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183291 [0,1,0,0,0,0|2,0,1]=4 764 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Br 527a_100000210953_100000182358 [0,1,0,0,0,0|2,0,1]=4 765 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183291 [0,1,0,0,0,0|2,0,1]=4 766 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Cl 11a_100000210953_100016990877 [0,1,0,0,0,0|2,0,1]=4 767 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Cl 1626a_100000210953_100016990877 [0,1,0,0,0,0|2,0,1]=4 768 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Cl 240690a_100000210953_100016990877 [0,1,0,0,0,0|2,0,1]=4 769 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183291 [0,1,0,0,0,0|2,0,1]=4 770 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Cl 527a_100000210953_100016990877 [0,1,0,0,0,0|2,0,1]=4 771 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183291 [0,1,0,0,0,0|2,0,1]=4 772 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)F 11a_100000210953_100000184765 [0,1,0,0,0,0|2,0,1]=4 773 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)F 1626a_100000210953_100000184765 [0,1,0,0,0,0|2,0,1]=4 774 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)F 240690a_100000210953_100000184765 [0,1,0,0,0,0|2,0,1]=4 775 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183291 [0,1,0,0,0,0|2,0,1]=4 776 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)F 527a_100000210953_100000184765 [0,1,0,0,0,0|2,0,1]=4 777 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)I 11a_100000210953_100000184369 [0,1,0,0,0,0|2,0,1]=4 778 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)I 1626a_100000210953_100000184369 [0,1,0,0,0,0|2,0,1]=4 779 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)I 240690a_100000210953_100000184369 [0,1,0,0,0,0|2,0,1]=4 780 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183291 [0,1,0,0,0,0|2,0,1]=4 781 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)I 527a_100000210953_100000184369 [0,1,0,0,0,0|2,0,1]=4 782 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183291 [0,1,0,0,0,0|2,0,1]=4 783 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183291 [0,1,0,0,0,0|2,0,1]=4 784 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)O 240690a_100000210953_100000031633 [0,1,0,0,0,0|2,0,1]=4 785 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)O 527a_100000210953_100000031633 [0,1,0,0,0,0|2,0,1]=4 786 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Br 11a_100000210953_100000179496 [0,1,0,0,0,0|2,0,1]=4 787 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Br 1626a_100000210953_100000179496 [0,1,0,0,0,0|2,0,1]=4 788 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Br 240690a_100000210953_100000179496 [0,1,0,0,0,0|2,0,1]=4 789 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Br 527a_100000210953_100000179496 [0,1,0,0,0,0|2,0,1]=4 790 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Br 62a_100000183291_100000752885 [0,1,0,0,0,0|2,0,1]=4 791 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183291 [0,1,0,0,0,0|2,0,1]=4 792 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Cl 11a_100000210953_100000178402 [0,1,0,0,0,0|2,0,1]=4 793 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Cl 1626a_100000210953_100000178402 [0,1,0,0,0,0|2,0,1]=4 794 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Cl 240690a_100000210953_100000178402 [0,1,0,0,0,0|2,0,1]=4 795 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Cl 527a_100000210953_100000178402 [0,1,0,0,0,0|2,0,1]=4 796 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Cl 62a_100000183291_100000755918 [0,1,0,0,0,0|2,0,1]=4 797 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183291 [0,1,0,0,0,0|2,0,1]=4 798 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)F 11a_100000210953_100000691584 [0,1,0,0,0,0|2,0,1]=4 799 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)F 1626a_100000210953_100000691584 [0,1,0,0,0,0|2,0,1]=4 800 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)F 240690a_100000210953_100000691584 [0,1,0,0,0,0|2,0,1]=4 801 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)F 527a_100000210953_100000691584 [0,1,0,0,0,0|2,0,1]=4 802 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)F 62a_100000183291_100000211213 [0,1,0,0,0,0|2,0,1]=4 803 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183291 [0,1,0,0,0,0|2,0,1]=4 804 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)N 62a_100000183291_100000185761 [0,1,0,0,0,0|2,0,1]=4 805 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183291 [0,1,0,0,0,0|2,0,1]=4 806 B16R1.1061 CC(C)CNC(=O)CSc1ccc(cc1)O 62a_100000183291_100000185759 [0,1,0,0,0,0|2,0,1]=4 807 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000210953 [0,1,0,0,0,0|2,0,1]=4 808 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Br 2708a_100000210953_100000174875 [0,1,0,0,0,0|2,0,1]=4 809 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000210953 [0,1,0,0,0,0|2,0,1]=4 810 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Br 273464a_100000210953_100000174875 [0,1,0,0,0,0|2,0,1]=4 811 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100000210953 [0,1,0,0,0,0|2,0,1]=4 812 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Br 512a_100000210953_100000174875 [0,1,0,0,0,0|2,0,1]=4 813 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000210953 [0,1,0,0,0,0|2,0,1]=4 814 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Cl 2708a_100000210953_100000174871 [0,1,0,0,0,0|2,0,1]=4 815 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000210953 [0,1,0,0,0,0|2,0,1]=4 816 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Cl 273464a_100000210953_100000174871 [0,1,0,0,0,0|2,0,1]=4 817 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)Cl 512a_100000210953_100000174871 [0,1,0,0,0,0|2,0,1]=4 818 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100000210953 [0,1,0,0,0,0|2,0,1]=4 819 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)F 2708a_100000210953_100000174882 [0,1,0,0,0,0|2,0,1]=4 820 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100000210953 [0,1,0,0,0,0|2,0,1]=4 821 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)F 273464a_100000210953_100000174882 [0,1,0,0,0,0|2,0,1]=4 822 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)F 512a_100000174882_100000210953 [0,1,0,0,0,0|2,0,1]=4 823 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)F 512a_100000210953_100000174882 [0,1,0,0,0,0|2,0,1]=4 824 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)I 2708a_100000210953_100016989417 [0,1,0,0,0,0|2,0,1]=4 825 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100000210953 [0,1,0,0,0,0|2,0,1]=4 826 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)I 273464a_100000210953_100016989417 [0,1,0,0,0,0|2,0,1]=4 827 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100000210953 [0,1,0,0,0,0|2,0,1]=4 828 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)I 512a_100000210953_100016989417 [0,1,0,0,0,0|2,0,1]=4 829 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100000210953 [0,1,0,0,0,0|2,0,1]=4 830 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100000210953 [0,1,0,0,0,0|2,0,1]=4 831 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)O 2708a_100000210953_100000185549 [0,1,0,0,0,0|2,0,1]=4 832 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100000210953 [0,1,0,0,0,0|2,0,1]=4 833 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)O 273464a_100000210953_100000185549 [0,1,0,0,0,0|2,0,1]=4 834 B16R1.1061 CC(C)CNC(=O)NCc1ccc(cc1)O 512a_100000210953_100000185549 [0,1,0,0,0,0|2,0,1]=4 835 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)Br 273464a_100000210953_100000735608 [0,1,0,0,0,0|3,0,0]=4 836 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)Br 512a_100000210953_100000735608 [0,1,0,0,0,0|3,0,0]=4 837 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)Cl 273464a_100000210953_100000683521 [0,1,0,0,0,0|3,0,0]=4 838 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)Cl 512a_100000210953_100000683521 [0,1,0,0,0,0|3,0,0]=4 839 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)F 273464a_100000210953_100000728448 [0,1,0,0,0,0|3,0,0]=4 840 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)F 512a_100000210953_100000728448 [0,1,0,0,0,0|3,0,0]=4 841 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)I 273464a_100000210953_100016988836 [0,1,0,0,0,0|3,0,0]=4 842 B16R1.1061 CC(C)CNC(=O)NNc1ccc(cc1)I 512a_100000210953_100016988836 [0,1,0,0,0,0|3,0,0]=4 843 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)Br 22a_100000741168_100016267368 [0,1,0,0,0,0|2,0,0]=3 844 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)Cl 22a_100000741168_100000184863 [0,1,0,0,0,0|2,0,0]=3 845 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)F 22a_100000741168_100000182136 [0,1,0,0,0,0|2,0,0]=3 846 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)I 22a_100000741168_100102526154 [0,1,0,0,0,0|2,0,0]=3 847 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)O 22a_100000741168_100016269017 [0,1,0,0,0,0|2,0,0]=3 848 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cn1)F 22a_100000741168_100020630499 [0,1,0,0,0,0|3,0,0]=4 849 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(nc1)Br 22a_100000741168_100020588214 [0,1,0,0,0,0|3,0,0]=4 850 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100012276601 [0,1,0,0,0,0|2,0,0]=3 851 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100012276601 [0,1,0,0,0,0|2,0,0]=3 852 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100012276601 [0,1,0,0,0,0|2,0,0]=3 853 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100012276601 [0,1,0,0,0,0|2,0,0]=3 854 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100012276601 [0,1,0,0,0,0|3,0,0]=4 855 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100012276601 [0,1,0,0,0,0|3,0,0]=4 856 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000210904_100016267368 [0,1,0,0,0,0|2,0,0]=3 857 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210904_100000184863 [0,1,0,0,0,0|2,0,0]=3 858 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210904_100000184863 [0,1,0,0,0,0|2,0,0]=3 859 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F 11a_100000210904_100000182136 [0,1,0,0,0,0|2,0,0]=3 860 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000210904_100000182136 [0,1,0,0,0,0|2,0,0]=3 861 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)I 11a_100000210904_100102526154 [0,1,0,0,0,0|2,0,0]=3 862 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000210904_100102526154 [0,1,0,0,0,0|2,0,0]=3 863 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210904_100016269017 [0,1,0,0,0,0|2,0,0]=3 864 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cn1)F 11a_100000210904_100020630499 [0,1,0,0,0,0|3,0,0]=4 865 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000210904_100020630499 [0,1,0,0,0,0|3,0,0]=4 866 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000210904_100020588214 [0,1,0,0,0,0|3,0,0]=4 867 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210904_100020588214 [0,1,0,0,0,0|3,0,0]=4 868 B16R1.1061 Cc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100000716854_100000210312 [0,1,0,0,0,0|1,0,0]=2 869 B16R1.1061 Cc1ccc(cc1)C=CC(=O)CCC(C)O 1458a_100000716854_100012276601 [0,1,0,0,0,0|2,0,0]=3 870 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 11a_100000210953_100000716854 [0,1,0,0,0,0|1,0,0]=2 871 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 1626a_100000210953_100000716854 [0,1,0,0,0,0|1,0,0]=2 872 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 240690a_100000210953_100000716854 [0,1,0,0,0,0|1,0,0]=2 873 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O 11a_100000210904_100000716854 [0,1,0,0,0,0|2,0,0]=3 874 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O 240690a_100000210904_100000716854 [0,1,0,0,0,0|2,0,0]=3 875 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F 11a_100000765723_100000716854 [0,1,0,0,0,0|3,0,0]=4 876 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F 1626a_100000765723_100000716854 [0,1,0,0,0,0|3,0,0]=4 877 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F 240690a_100000765723_100000716854 [0,1,0,0,0,0|3,0,0]=4 878 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NNC(C)C 22a_100000741168_100000716854 [0,1,0,0,0,0|2,0,0]=3 879 B16R1.1061 Cc1ccc(cc1)CCC(=O)CCC(C)C 1458a_100000181311_100011713686 [0,1,0,0,0,0|1,0,2]=4 880 B16R1.1061 Cc1ccc(cc1)CCC(=O)CCC(C)C 1458a_100000234883_100000210312 [0,1,0,0,0,0|1,0,2]=4 881 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)C 11a_100000210953_100000234883 [0,1,0,0,0,0|1,0,2]=4 882 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)C 1626a_100000210953_100000234883 [0,1,0,0,0,0|1,0,2]=4 883 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)C 240690a_100000210953_100000234883 [0,1,0,0,0,0|1,0,2]=4 884 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)C 527a_100000210953_100000234883 [0,1,0,0,0,0|1,0,2]=4 885 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 11a_100000174908_100000181311 [0,1,0,0,0,0|2,0,1]=4 886 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 1626a_100000174908_100000181311 [0,1,0,0,0,0|2,0,1]=4 887 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 240690a_100000174908_100000181311 [0,1,0,0,0,0|2,0,1]=4 888 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C 527a_100000174908_100000181311 [0,1,0,0,0,0|2,0,1]=4 889 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C 2708a_100000174908_100000210953 [0,1,0,0,0,0|2,0,1]=4 890 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C 2708a_100000210953_100000174908 [0,1,0,0,0,0|2,0,1]=4 891 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C 273464a_100000174908_100000210953 [0,1,0,0,0,0|2,0,1]=4 892 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C 273464a_100000210953_100000174908 [0,1,0,0,0,0|2,0,1]=4 893 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C 512a_100000174908_100000210953 [0,1,0,0,0,0|2,0,1]=4 894 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C 512a_100000210953_100000174908 [0,1,0,0,0,0|2,0,1]=4 895 B16R1.1061 Cc1ccc(cc1)NCC(=O)NCC(C)C 34a_100000124888_100000183291 [0,1,0,0,0,0|2,0,1]=4 896 B16R1.1061 Cc1ccc(cc1)NNC(=O)CCC(C)C 22a_100000683527_100000181311 [0,1,0,0,0,0|3,0,0]=4 897 B16R1.1061 Cc1ccc(cc1)NNC(=O)NCC(C)C 273464a_100000210953_100000683527 [0,1,0,0,0,0|3,0,0]=4 898 B16R1.1061 Cc1ccc(cc1)NNC(=O)NCC(C)C 512a_100000210953_100000683527 [0,1,0,0,0,0|3,0,0]=4 899 B16R1.1061 Cc1ccc(cc1)OCC(=O)CCC(C)C 1458a_100000182360_100000210312 [0,1,0,0,0,0|2,0,1]=4 900 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C 11a_100000210953_100000182360 [0,1,0,0,0,0|2,0,1]=4 901 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C 1626a_100000210953_100000182360 [0,1,0,0,0,0|2,0,1]=4 902 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C 240690a_100000210953_100000182360 [0,1,0,0,0,0|2,0,1]=4 903 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C 34a_100000210336_100000183291 [0,1,0,0,0,0|2,0,1]=4 904 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C 527a_100000210953_100000182360 [0,1,0,0,0,0|2,0,1]=4 905 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C 7a_100000210336_100000183291 [0,1,0,0,0,0|2,0,1]=4 906 B16R1.1061 Cc1ccc(cc1)SCC(=O)CCC(C)C 1458a_100000179497_100000210312 [0,1,0,0,0,0|2,0,1]=4 907 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C 11a_100000210953_100000179497 [0,1,0,0,0,0|2,0,1]=4 908 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C 1626a_100000210953_100000179497 [0,1,0,0,0,0|2,0,1]=4 909 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C 240690a_100000210953_100000179497 [0,1,0,0,0,0|2,0,1]=4 910 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C 527a_100000210953_100000179497 [0,1,0,0,0,0|2,0,1]=4 911 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C 62a_100000183291_100000186775 [0,1,0,0,0,0|2,0,1]=4 912 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C 62a_100000186775_100000183291 [0,1,0,0,0,0|2,0,1]=4 913 B16R1.1061 Cc1cnc(cn1)C=CC(=O)CCC(C)C 6a_100000685221_100000210476 [0,1,0,0,0,0|3,0,0]=4 914 B16R1.1061 Cc1ncc(cn1)C=CC(=O)CCC(C)C 6a_100011202771_100000210476 [0,1,0,0,0,0|3,0,0]=4 915 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F 11a_100000765723_100016267368 [0,1,0,0,0,0|3,0,0]=4 916 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F 1626a_100000765723_100016267368 [0,1,0,0,0,0|3,0,0]=4 917 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F 11a_100000765723_100000184863 [0,1,0,0,0,0|3,0,0]=4 918 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F 1626a_100000765723_100000184863 [0,1,0,0,0,0|3,0,0]=4 919 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F 240690a_100000765723_100000184863 [0,1,0,0,0,0|3,0,0]=4 920 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F 11a_100000765723_100000182136 [0,1,0,0,0,0|3,0,0]=4 921 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F 1626a_100000765723_100000182136 [0,1,0,0,0,0|3,0,0]=4 922 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F 240690a_100000765723_100000182136 [0,1,0,0,0,0|3,0,0]=4 923 B16R1.1061 O=C(C=Cc1ccc(cc1)I)NCC(F)F 11a_100000765723_100102526154 [0,1,0,0,0,0|3,0,0]=4 924 B16R1.1061 O=C(C=Cc1ccc(cc1)I)NCC(F)F 1626a_100000765723_100102526154 [0,1,0,0,0,0|3,0,0]=4 925 B16R1.1061 O=C(C=Cc1ccc(cc1)I)NCC(F)F 240690a_100000765723_100102526154 [0,1,0,0,0,0|3,0,0]=4 926 B16R1.1061 O=C(C=Cc1ccc(cc1)O)NCC(F)F 240690a_100000765723_100016269017 [0,1,0,0,0,0|3,0,0]=4 927 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)CCC(C)C 1458a_100016990649_100000210312 [0,1,0,0,0,0|1,0,0]=2 928 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)CCC(C)O 1458a_100016990649_100012276601 [0,1,0,0,0,0|2,0,0]=3 929 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 11a_100000210953_100016990649 [0,1,0,0,0,0|1,0,0]=2 930 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 1626a_100000210953_100016990649 [0,1,0,0,0,0|1,0,0]=2 931 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 527a_100000210953_100016990649 [0,1,0,0,0,0|1,0,0]=2 932 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)O 11a_100000210904_100016990649 [0,1,0,0,0,0|2,0,0]=3 933 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)O 527a_100000210904_100016990649 [0,1,0,0,0,0|2,0,0]=3 934 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(F)F 11a_100000765723_100016990649 [0,1,0,0,0,0|3,0,0]=4 935 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(F)F 1626a_100000765723_100016990649 [0,1,0,0,0,0|3,0,0]=4 936 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(F)F 527a_100000765723_100016990649 [0,1,0,0,0,0|3,0,0]=4 937 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NNC(C)C 22a_100000741168_100016990649 [0,1,0,0,0,0|2,0,0]=3 938 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)CCC(C)C 1458a_100025712827_100000210312 [0,1,0,0,0,0|2,0,0]=3 939 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)CCC(C)O 1458a_100025712827_100012276601 [0,1,0,0,0,0|3,0,0]=4 940 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)C 11a_100000210953_100025712827 [0,1,0,0,0,0|2,0,0]=3 941 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)C 1626a_100000210953_100025712827 [0,1,0,0,0,0|2,0,0]=3 942 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)C 527a_100000210953_100025712827 [0,1,0,0,0,0|2,0,0]=3 943 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)O 11a_100000210904_100025712827 [0,1,0,0,0,0|3,0,0]=4 944 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)O 527a_100000210904_100025712827 [0,1,0,0,0,0|3,0,0]=4 945 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NNC(C)C 22a_100000741168_100025712827 [0,1,0,0,0,0|3,0,0]=4 946 B16R1.1284 C=C(C)CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000730704 [0,1,0,0,0,0|1,0,2]=4 947 B16R1.1284 C=C(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000730704 [0,1,0,0,0,0|1,0,2]=4 948 B16R1.1284 C=C(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000730704 [0,1,0,0,0,0|1,0,2]=4 949 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 11a_100000765925_100016990649 [0,1,0,0,0,0|1,0,2]=4 950 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 1626a_100000765925_100016990649 [0,1,0,0,0,0|1,0,2]=4 951 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 527a_100000765925_100016990649 [0,1,0,0,0,0|1,0,2]=4 952 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000765925_200020598536 [0,1,0,0,0,0|1,0,2]=4 953 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000765925_200020598536 [0,1,0,0,0,0|1,0,2]=4 954 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000765925_200020598536 [0,1,0,0,0,0|1,0,2]=4 955 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000765925_200020598536 [0,1,0,0,0,0|1,0,2]=4 956 B16R1.1284 C=C(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000765925_100020889036 [0,1,0,0,0,0|1,0,2]=4 957 B16R1.1284 C=C(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000765925_100020889036 [0,1,0,0,0,0|1,0,2]=4 958 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C 11a_100000210953_100000066491 [0,1,0,0,0,0|1,0,1]=3 959 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C 1626a_100000210953_100000066491 [0,1,0,0,0,0|1,0,1]=3 960 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)O 11a_100000210904_100000066491 [0,1,0,0,0,0|2,0,1]=4 961 B16R1.1284 C=C(Cc1ccccc1)C(=O)NNC(C)C 22a_100000741168_100000066491 [0,1,0,0,0,0|2,0,1]=4 962 B16R1.1284 CC(=CCC(=O)/C(=C/c1ccccc1)/C)C 1458a_100016990649_100000761012 [0,1,0,0,0,0|1,0,2]=4 963 B16R1.1284 CC(=CCC(=O)/C(=C/c1ccccc1)/Cl)C 1458a_200020598536_100000761012 [0,1,0,0,0,0|1,0,2]=4 964 B16R1.1284 CC(=CCC(=O)/C(=C\c1ccccc1)/F)C 1458a_100020889036_100000761012 [0,1,0,0,0,0|1,0,2]=4 965 B16R1.1284 CC(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210312 [0,1,0,0,0,0|1,0,0]=2 966 B16R1.1284 CC(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210312 [0,1,0,0,0,0|1,0,0]=2 967 B16R1.1284 CC(C)CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210312 [0,1,0,0,0,0|2,0,0]=3 968 B16R1.1284 CC(C)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210312 [0,1,0,0,0,0|2,0,0]=3 969 B16R1.1284 CC(C)CCC(=O)C(C)Cc1ccccc1 1458a_100000181311_200011218536 [0,1,0,0,0,0|1,0,2]=4 970 B16R1.1284 CC(C)CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210312 [0,1,0,0,0,0|1,0,2]=4 971 B16R1.1284 CC(C)CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210312 [0,1,0,0,0,0|2,0,1]=4 972 B16R1.1284 CC(C)CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210312 [0,1,0,0,0,0|2,0,1]=4 973 B16R1.1284 CC(C)CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000181311 [0,1,0,0,0,0|2,0,1]=4 974 B16R1.1284 CC(C)CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000181311 [0,1,0,0,0,0|2,0,1]=4 975 B16R1.1284 CC(C)CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000181311 [0,1,0,0,0,0|2,0,1]=4 976 B16R1.1284 CC(C)CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000181311 [0,1,0,0,0,0|2,0,1]=4 977 B16R1.1284 CC(C)CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210312 [0,1,0,0,0,0|1,0,2]=4 978 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210953_200020598536 [0,1,0,0,0,0|1,0,0]=2 979 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000210953_200020598536 [0,1,0,0,0,0|1,0,0]=2 980 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210953_200020598536 [0,1,0,0,0,0|1,0,0]=2 981 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210953_200020598536 [0,1,0,0,0,0|1,0,0]=2 982 B16R1.1284 CC(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000210953_100020889036 [0,1,0,0,0,0|1,0,0]=2 983 B16R1.1284 CC(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000210953_100020889036 [0,1,0,0,0,0|1,0,0]=2 984 B16R1.1284 CC(C)CNC(=O)C(=Cc1cccnc1)F 11a_100000210953_100000731744 [0,1,0,0,0,0|2,0,0]=3 985 B16R1.1284 CC(C)CNC(=O)C(=Cc1cccnc1)F 240690a_100000210953_100000731744 [0,1,0,0,0,0|2,0,0]=3 986 B16R1.1284 CC(C)CNC(=O)C(=Cc1cccnc1)F 527a_100000210953_100000731744 [0,1,0,0,0,0|2,0,0]=3 987 B16R1.1284 CC(C)CNC(=O)C(=O)Cc1ccccc1 1458a_200011297155_100015291786 [0,1,0,0,0,0|1,0,1]=3 988 B16R1.1284 CC(C)CNC(=O)C(=O)Cc1ccccn1 1458a_200011297155_100000721315 [0,1,0,0,0,0|2,0,1]=4 989 B16R1.1284 CC(C)CNC(=O)C(=O)Cc1cccnc1 1458a_200011297155_100000733263 [0,1,0,0,0,0|2,0,1]=4 990 B16R1.1284 CC(C)CNC(=O)C(=O)Cc1ccncc1 1458a_200011297155_100000705612 [0,1,0,0,0,0|2,0,1]=4 991 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297155 [0,1,0,0,0,0|2,0,0]=3 992 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297155 [0,1,0,0,0,0|2,0,0]=3 993 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 240690a_100000210953_100000738435 [0,1,0,0,0,0|2,0,0]=3 994 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297155 [0,1,0,0,0,0|2,0,0]=3 995 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 11a_100000210953_100000754839 [0,1,0,0,0,0|1,0,2]=4 996 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 1626a_100000210953_100000754839 [0,1,0,0,0,0|1,0,2]=4 997 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 240690a_100000210953_100000754839 [0,1,0,0,0,0|1,0,2]=4 998 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 527a_100000210953_100000754839 [0,1,0,0,0,0|1,0,2]=4 999 B16R1.1284 CC(C)CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000230289 [0,1,0,0,0,0|2,0,1]=4 1000 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 11a_100000210953_100000188414 [0,1,0,0,0,0|2,0,1]=4 1001 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 1626a_100000210953_100000188414 [0,1,0,0,0,0|2,0,1]=4 1002 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 240690a_100000210953_100000188414 [0,1,0,0,0,0|2,0,1]=4 1003 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000230289 [0,1,0,0,0,0|2,0,1]=4 1004 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 527a_100000210953_100000188414 [0,1,0,0,0,0|2,0,1]=4 1005 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230289 [0,1,0,0,0,0|2,0,1]=4 1006 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 11a_100000210953_100000199063 [0,1,0,0,0,0|2,0,1]=4 1007 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 1626a_100000210953_100000199063 [0,1,0,0,0,0|2,0,1]=4 1008 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 240690a_100000210953_100000199063 [0,1,0,0,0,0|2,0,1]=4 1009 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 527a_100000210953_100000199063 [0,1,0,0,0,0|2,0,1]=4 1010 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 62a_100000230289_100000041952 [0,1,0,0,0,0|2,0,1]=4 1011 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230289 [0,1,0,0,0,0|2,0,1]=4 1012 B16R1.1284 CC(C)CNC(=O)N(C)Cc1ccccc1 2708a_100000210953_100000186898 [0,1,0,0,0,0|2,0,1]=4 1013 B16R1.1284 CC(C)CNC(=O)N(C)Cc1ccccc1 273464a_100000210953_100000186898 [0,1,0,0,0,0|2,0,1]=4 1014 B16R1.1284 CC(C)CNC(=O)[C@H](O)Cc1ccccc1 240690a_100000210953_100009816399 [0,1,0,0,0,0|1,0,2]=4 1015 B16R1.1284 CC(C)COC(C)C(=O)Nc1ccccc1 34a_100000210257_100000183986 [0,1,0,0,0,0|2,0,1]=4 1016 B16R1.1284 CC(C)NNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000741168_200020598536 [0,1,0,0,0,0|2,0,0]=3 1017 B16R1.1284 CC(C)NNC(=O)/C(=C\c1ccccc1)/F 22a_100000741168_100020889036 [0,1,0,0,0,0|2,0,0]=3 1018 B16R1.1284 CC(C)NNC(=O)C(=Cc1cccnc1)F 22a_100000741168_100000731744 [0,1,0,0,0,0|3,0,0]=4 1019 B16R1.1284 CC(C)NNC(=O)C(=O)Nc1ccccc1 22a_100000741168_100000738435 [0,1,0,0,0,0|3,0,0]=4 1020 B16R1.1284 CC(O)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100012276601 [0,1,0,0,0,0|2,0,0]=3 1021 B16R1.1284 CC(O)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100012276601 [0,1,0,0,0,0|2,0,0]=3 1022 B16R1.1284 CC(O)CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100012276601 [0,1,0,0,0,0|3,0,0]=4 1023 B16R1.1284 CC(O)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100012276601 [0,1,0,0,0,0|3,0,0]=4 1024 B16R1.1284 CC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210904_200020598536 [0,1,0,0,0,0|2,0,0]=3 1025 B16R1.1284 CC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210904_200020598536 [0,1,0,0,0,0|2,0,0]=3 1026 B16R1.1284 CC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210904_200020598536 [0,1,0,0,0,0|2,0,0]=3 1027 B16R1.1284 CC(O)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000210904_100020889036 [0,1,0,0,0,0|2,0,0]=3 1028 B16R1.1284 CC(O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000210904_100020889036 [0,1,0,0,0,0|2,0,0]=3 1029 B16R1.1284 CC(O)CNC(=O)C(=Cc1cccnc1)F 11a_100000210904_100000731744 [0,1,0,0,0,0|3,0,0]=4 1030 B16R1.1284 CC(O)CNC(=O)C(=Cc1cccnc1)F 240690a_100000210904_100000731744 [0,1,0,0,0,0|3,0,0]=4 1031 B16R1.1284 CC(O)CNC(=O)C(=Cc1cccnc1)F 527a_100000210904_100000731744 [0,1,0,0,0,0|3,0,0]=4 1032 B16R1.1284 CC(O)CNC(=O)C(=O)Nc1ccccc1 240690a_100000210904_100000738435 [0,1,0,0,0,0|3,0,0]=4 1033 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 11a_100000765723_200020598536 [0,1,0,0,0,0|3,0,0]=4 1034 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 1626a_100000765723_200020598536 [0,1,0,0,0,0|3,0,0]=4 1035 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 240690a_100000765723_200020598536 [0,1,0,0,0,0|3,0,0]=4 1036 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 527a_100000765723_200020598536 [0,1,0,0,0,0|3,0,0]=4 1037 B16R1.1284 O=C(NCC(F)F)/C(=C\c1ccccc1)/F 11a_100000765723_100020889036 [0,1,0,0,0,0|3,0,0]=4 1038 B16R1.1284 O=C(NCC(F)F)/C(=C\c1ccccc1)/F 527a_100000765723_100020889036 [0,1,0,0,0,0|3,0,0]=4 1039 B16R1.1343 CC(CNC(=O)OCc1ccccc1)O[13CH3] 34a_200011240566_200025704644 [0,1,0,0,0,0|2,0,1]=4 1040 B16R1.1343 CC(CNC(=O)OCc1ccccc1)O[13CH3] 7a_200011240566_200025704644 [0,1,0,0,0,0|2,0,1]=4 1041 B16R1.1343 CC(CO)CNC(=O)C#Cc1ccccc1 240690a_100000744482_100000736102 [0,1,0,0,0,0|1,0,2]=4 1042 B16R1.1343 CC(CO)CNC(=O)C=Cc1ccccn1 240690a_100000744482_100000740811 [0,1,0,0,0,0|2,0,0]=3 1043 B16R1.1343 CC(CO)CNC(=O)C=Cc1cccnc1 240690a_100000744482_100000735890 [0,1,0,0,0,0|2,0,0]=3 1044 B16R1.1343 CC(CO)CNC(=O)C=Cc1ccncc1 240690a_100000744482_100000682801 [0,1,0,0,0,0|2,0,0]=3 1045 B16R1.1343 CC(CO)CNC(=O)CCc1ccccc1 240690a_100000744482_100000185753 [0,1,0,0,0,0|1,0,2]=4 1046 B16R1.1343 CC(CO)CNC(=O)CCc1ccccc1 527a_100000744482_100000185753 [0,1,0,0,0,0|1,0,2]=4 1047 B16R1.1343 CC(CO)CNC(=O)COc1ccccc1 240690a_100000744482_100000186222 [0,1,0,0,0,0|2,0,1]=4 1048 B16R1.1343 CC(CO)CNC(=O)COc1ccccc1 527a_100000744482_100000186222 [0,1,0,0,0,0|2,0,1]=4 1049 B16R1.1343 CC(CO)CNC(=O)CSc1ccccc1 240690a_100000744482_100000211596 [0,1,0,0,0,0|2,0,1]=4 1050 B16R1.1343 CC(CO)CNC(=O)CSc1ccccc1 527a_100000744482_100000211596 [0,1,0,0,0,0|2,0,1]=4 1051 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 2708a_100015324214_100000744482 [0,1,0,0,0,0|2,0,1]=4 1052 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 273464a_100000744482_100015324214 [0,1,0,0,0,0|2,0,1]=4 1053 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 273464a_100015324214_100000744482 [0,1,0,0,0,0|2,0,1]=4 1054 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 512a_100000744482_100015324214 [0,1,0,0,0,0|2,0,1]=4 1055 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 512a_100015324214_100000744482 [0,1,0,0,0,0|2,0,1]=4 1056 B16R1.1343 CC(CO)CNC(=O)NNc1ccccc1 273464a_100000744482_100015195140 [0,1,0,0,0,0|3,0,0]=4 1057 B16R1.1343 CC(CO)CNC(=O)NNc1ccccc1 512a_100000744482_100015195140 [0,1,0,0,0,0|3,0,0]=4 1058 B16R1.1343 CCC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210202 [0,1,0,0,0,0|2,0,1]=4 1059 B16R1.1343 CCC(C)CCC(=O)CCc1ccccc1 1458a_100000701222_100000765856 [0,1,0,0,0,0|1,0,2]=4 1060 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 1061 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 1626a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 1062 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 1063 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 1064 B16R1.1343 CCC(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000701222 [0,1,0,0,0,0|3,0,0]=4 1065 B16R1.1343 CCC(C)CNC(=O)C#Cc1ccccc1 240690a_100020588543_100000736102 [0,1,0,0,0,0|1,0,2]=4 1066 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 11a_100020588543_100000210462 [0,1,0,0,0,0|1,0,0]=2 1067 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 1626a_100020588543_100000210462 [0,1,0,0,0,0|1,0,0]=2 1068 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 11a_100020588543_100000740811 [0,1,0,0,0,0|2,0,0]=3 1069 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 240690a_100020588543_100000740811 [0,1,0,0,0,0|2,0,0]=3 1070 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 11a_100020588543_100000735890 [0,1,0,0,0,0|2,0,0]=3 1071 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 240690a_100020588543_100000735890 [0,1,0,0,0,0|2,0,0]=3 1072 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccncc1 240690a_100020588543_100000682801 [0,1,0,0,0,0|2,0,0]=3 1073 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 11a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 1074 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 1626a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 1075 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 240690a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 1076 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 527a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 1077 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 11a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 1078 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 1626a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 1079 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 240690a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 1080 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 527a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 1081 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 11a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 1082 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 1626a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 1083 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 240690a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 1084 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 527a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 1085 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 2708a_100015324214_100020588543 [0,1,0,0,0,0|2,0,1]=4 1086 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 2708a_100020588543_100015324214 [0,1,0,0,0,0|2,0,1]=4 1087 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 273464a_100015324214_100020588543 [0,1,0,0,0,0|2,0,1]=4 1088 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 273464a_100020588543_100015324214 [0,1,0,0,0,0|2,0,1]=4 1089 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 512a_100015324214_100020588543 [0,1,0,0,0,0|2,0,1]=4 1090 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 512a_100020588543_100015324214 [0,1,0,0,0,0|2,0,1]=4 1091 B16R1.1343 CCC(C)CNC(=O)NNc1ccccc1 273464a_100020588543_100015195140 [0,1,0,0,0,0|3,0,0]=4 1092 B16R1.1343 CCC(C)CNC(=O)NNc1ccccc1 512a_100020588543_100015195140 [0,1,0,0,0,0|3,0,0]=4 1093 B16R1.1343 CCC(C)NN=C(C)C=Cc1ccccc1 4a_100000718999_100000204604 [0,1,0,0,0,0|3,0,0]=4 1094 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccccc1 22a_100000718999_100000210462 [0,1,0,0,0,0|2,0,0]=3 1095 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccccn1 22a_100000718999_100000740811 [0,1,0,0,0,0|3,0,0]=4 1096 B16R1.1343 CCC(C)NNC(=O)C=Cc1cccnc1 22a_100000718999_100000735890 [0,1,0,0,0,0|3,0,0]=4 1097 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccncc1 22a_100000718999_100000682801 [0,1,0,0,0,0|3,0,0]=4 1098 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccc1 11a_100011218483_100000210462 [0,1,0,0,0,0|2,0,0]=3 1099 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 11a_100011218483_100000740811 [0,1,0,0,0,0|3,0,0]=4 1100 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 240690a_100011218483_100000740811 [0,1,0,0,0,0|3,0,0]=4 1101 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 11a_100011218483_100000735890 [0,1,0,0,0,0|3,0,0]=4 1102 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 240690a_100011218483_100000735890 [0,1,0,0,0,0|3,0,0]=4 1103 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccncc1 240690a_100011218483_100000682801 [0,1,0,0,0,0|3,0,0]=4 1104 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 11a_106832991635_100000183125 [0,1,0,0,0,0|2,0,1]=4 1105 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 240690a_100102657272_100000183125 [0,1,0,0,0,0|2,0,1]=4 1106 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 527a_100102657272_100000183125 [0,1,0,0,0,0|2,0,1]=4 1107 B16R1.1343 CNC(=O)CNC(=O)C=Cc1ccccc1 11a_100000693194_100000210462 [0,1,0,0,0,0|2,0,1]=4 1108 B16R1.1343 COC(=O)CNC(=O)C=Cc1ccccc1 188690a_100000185156_100000210462 [0,1,0,0,0,0|2,0,1]=4 1109 B16R1.1343 COC(C)CNC(=O)OCc1ccccc1 34a_200011240566_200000210301 [0,1,0,0,0,0|2,0,1]=4 1110 B16R1.1343 COC(C)CNC(=O)OCc1ccccc1 7a_200011240566_200000210301 [0,1,0,0,0,0|2,0,1]=4 1111 B16R1.1343 CO[C@H](C)CNC(=O)C#Cc1ccccc1 240690a_100020591295_100000736102 [0,1,0,0,0,0|1,0,2]=4 1112 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 11a_100020591295_100000210462 [0,1,0,0,0,0|1,0,0]=2 1113 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 1626a_100020591295_100000210462 [0,1,0,0,0,0|1,0,0]=2 1114 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccn1 11a_100020591295_100000740811 [0,1,0,0,0,0|2,0,0]=3 1115 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccn1 240690a_100020591295_100000740811 [0,1,0,0,0,0|2,0,0]=3 1116 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1cccnc1 11a_100020591295_100000735890 [0,1,0,0,0,0|2,0,0]=3 1117 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1cccnc1 240690a_100020591295_100000735890 [0,1,0,0,0,0|2,0,0]=3 1118 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccncc1 240690a_100020591295_100000682801 [0,1,0,0,0,0|2,0,0]=3 1119 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 11a_100020591295_100000185753 [0,1,0,0,0,0|1,0,2]=4 1120 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 1626a_100020591295_100000185753 [0,1,0,0,0,0|1,0,2]=4 1121 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 240690a_100020591295_100000185753 [0,1,0,0,0,0|1,0,2]=4 1122 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 527a_100020591295_100000185753 [0,1,0,0,0,0|1,0,2]=4 1123 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 11a_100020591295_100000186222 [0,1,0,0,0,0|2,0,1]=4 1124 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 1626a_100020591295_100000186222 [0,1,0,0,0,0|2,0,1]=4 1125 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 240690a_100020591295_100000186222 [0,1,0,0,0,0|2,0,1]=4 1126 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 527a_100020591295_100000186222 [0,1,0,0,0,0|2,0,1]=4 1127 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 11a_100020591295_100000211596 [0,1,0,0,0,0|2,0,1]=4 1128 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 1626a_100020591295_100000211596 [0,1,0,0,0,0|2,0,1]=4 1129 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 240690a_100020591295_100000211596 [0,1,0,0,0,0|2,0,1]=4 1130 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 527a_100020591295_100000211596 [0,1,0,0,0,0|2,0,1]=4 1131 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 2708a_100015324214_100020591295 [0,1,0,0,0,0|2,0,1]=4 1132 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 2708a_100020591295_100015324214 [0,1,0,0,0,0|2,0,1]=4 1133 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 273464a_100015324214_100020591295 [0,1,0,0,0,0|2,0,1]=4 1134 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 273464a_100020591295_100015324214 [0,1,0,0,0,0|2,0,1]=4 1135 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 512a_100015324214_100020591295 [0,1,0,0,0,0|2,0,1]=4 1136 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 512a_100020591295_100015324214 [0,1,0,0,0,0|2,0,1]=4 1137 B16R1.1343 CO[C@H](C)CNC(=O)NNc1ccccc1 273464a_100020591295_100015195140 [0,1,0,0,0,0|3,0,0]=4 1138 B16R1.1343 CO[C@H](C)CNC(=O)NNc1ccccc1 512a_100020591295_100015195140 [0,1,0,0,0,0|3,0,0]=4 1139 B16R1.1343 O=C(C=Cc1ccccn1)NC[C@@H](F)CO 240690a_100015665980_100000740811 [0,1,0,0,0,0|3,0,0]=4 1140 B16R1.1343 O=C(C=Cc1ccccn1)NC[C@H](O)CO 240690a_100020644852_100000740811 [0,1,0,0,0,0|3,0,0]=4 1141 B16R1.1343 O=C(C=Cc1cccnc1)NC[C@@H](F)CO 240690a_100015665980_100000735890 [0,1,0,0,0,0|3,0,0]=4 1142 B16R1.1343 O=C(C=Cc1cccnc1)NC[C@H](O)CO 240690a_100020644852_100000735890 [0,1,0,0,0,0|3,0,0]=4 1143 B16R1.1343 O=C(C=Cc1ccncc1)NC[C@@H](F)CO 240690a_100015665980_100000682801 [0,1,0,0,0,0|3,0,0]=4 1144 B16R1.1343 O=C(C=Cc1ccncc1)NC[C@H](O)CO 240690a_100020644852_100000682801 [0,1,0,0,0,0|3,0,0]=4 1145 B16R1.1343 O=C(CF)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100015361967 [0,1,0,0,0,0|2,0,1]=4 1146 B16R1.1771 CC(C)CNS(=O)(=O)C=Cc1ccccc1 40a_100000210953_100011098038 [0,1,0,0,0,0|2,0,0]=3 1147 B16R1.1771 CC(C)NNS(=O)(=O)C=Cc1ccccc1 40a_100000741168_100011098038 [0,1,0,0,0,0|3,0,0]=4 1148 B16R1.1771 CC(O)CNS(=O)(=O)C=Cc1ccccc1 40a_100000210904_100011098038 [0,1,0,0,0,0|3,0,0]=4 1149 B16R1.4122 CC(=O)C(C)NC(=O)C=Cc1ccccc1 1458a_100015194556_200000210301 [0,1,0,0,0,0|2,0,1]=4 1150 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000753385 [0,1,0,0,0,0|1,0,1]=3 1151 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000753385 [0,1,0,0,0,0|2,0,1]=4 1152 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000753385 [0,1,0,0,0,0|2,0,1]=4 1153 B16R1.4122 CC(C)C(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000753385 [0,1,0,0,0,0|2,0,1]=4 1154 B16R1.4122 CC(C)C(C)NC(=O)C#Cc1ccccc1 240690a_100000211541_100000736102 [0,1,0,0,0,0|1,0,2]=4 1155 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 11a_100000211541_100000210462 [0,1,0,0,0,0|1,0,0]=2 1156 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 1626a_100000211541_100000210462 [0,1,0,0,0,0|1,0,0]=2 1157 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccn1 11a_100000211541_100000740811 [0,1,0,0,0,0|2,0,0]=3 1158 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccn1 240690a_100000211541_100000740811 [0,1,0,0,0,0|2,0,0]=3 1159 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1cccnc1 11a_100000211541_100000735890 [0,1,0,0,0,0|2,0,0]=3 1160 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1cccnc1 240690a_100000211541_100000735890 [0,1,0,0,0,0|2,0,0]=3 1161 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccncc1 240690a_100000211541_100000682801 [0,1,0,0,0,0|2,0,0]=3 1162 B16R1.4122 CC(C)C(C)NC(=O)CCc1ccccc1 11a_100000211541_100000185753 [0,1,0,0,0,0|1,0,2]=4 1163 B16R1.4122 CC(C)C(C)NC(=O)CCc1ccccc1 1626a_100000211541_100000185753 [0,1,0,0,0,0|1,0,2]=4 1164 B16R1.4122 CC(C)C(C)NC(=O)CCc1ccccc1 240690a_100000211541_100000185753 [0,1,0,0,0,0|1,0,2]=4 1165 B16R1.4122 CC(C)C(C)NC(=O)CCc1ccccc1 527a_100000211541_100000185753 [0,1,0,0,0,0|1,0,2]=4 1166 B16R1.4122 CC(C)C(C)NC(=O)COc1ccccc1 11a_100000211541_100000186222 [0,1,0,0,0,0|2,0,1]=4 1167 B16R1.4122 CC(C)C(C)NC(=O)COc1ccccc1 1626a_100000211541_100000186222 [0,1,0,0,0,0|2,0,1]=4 1168 B16R1.4122 CC(C)C(C)NC(=O)COc1ccccc1 240690a_100000211541_100000186222 [0,1,0,0,0,0|2,0,1]=4 1169 B16R1.4122 CC(C)C(C)NC(=O)COc1ccccc1 527a_100000211541_100000186222 [0,1,0,0,0,0|2,0,1]=4 1170 B16R1.4122 CC(C)C(C)NC(=O)CSc1ccccc1 11a_100000211541_100000211596 [0,1,0,0,0,0|2,0,1]=4 1171 B16R1.4122 CC(C)C(C)NC(=O)CSc1ccccc1 1626a_100000211541_100000211596 [0,1,0,0,0,0|2,0,1]=4 1172 B16R1.4122 CC(C)C(C)NC(=O)CSc1ccccc1 240690a_100000211541_100000211596 [0,1,0,0,0,0|2,0,1]=4 1173 B16R1.4122 CC(C)C(C)NC(=O)CSc1ccccc1 527a_100000211541_100000211596 [0,1,0,0,0,0|2,0,1]=4 1174 B16R1.4122 CC(C)C(C)NC(=O)NCc1ccccc1 2708a_100000211541_100015324214 [0,1,0,0,0,0|2,0,1]=4 1175 B16R1.4122 CC(C)C(C)NC(=O)NCc1ccccc1 2708a_100015324214_100000211541 [0,1,0,0,0,0|2,0,1]=4 1176 B16R1.4122 CC(C)C(C)NC(=O)NCc1ccccc1 273464a_100000211541_100015324214 [0,1,0,0,0,0|2,0,1]=4 1177 B16R1.4122 CC(C)C(C)NC(=O)NCc1ccccc1 273464a_100015324214_100000211541 [0,1,0,0,0,0|2,0,1]=4 1178 B16R1.4122 CC(C)C(C)NC(=O)NCc1ccccc1 512a_100000211541_100015324214 [0,1,0,0,0,0|2,0,1]=4 1179 B16R1.4122 CC(C)C(C)NC(=O)NCc1ccccc1 512a_100015324214_100000211541 [0,1,0,0,0,0|2,0,1]=4 1180 B16R1.4122 CC(C)C(C)NC(=O)NNc1ccccc1 273464a_100000211541_100015195140 [0,1,0,0,0,0|3,0,0]=4 1181 B16R1.4122 CC(C)C(C)NC(=O)NNc1ccccc1 512a_100000211541_100015195140 [0,1,0,0,0,0|3,0,0]=4 1182 B16R1.4122 CC(NC(=O)C=Cc1ccccc1)C(=O)[13CH3] 1458a_100015194556_200025704644 [0,1,0,0,0,0|2,0,1]=4 1183 B16R1.4122 CC(OC(=O)OCc1ccccc1)N(C)C 269982a_100102631434_200015597219 [0,1,0,0,0,0|2,0,1]=4 1184 B16R1.4122 CN(C)C(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000185267 [0,1,0,0,0,0|2,0,1]=4 1185 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000225649_100000210462 [0,1,0,0,0,0|1,0,2]=4 1186 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000225649_100000210462 [0,1,0,0,0,0|1,0,2]=4 1187 B16R1.6944 CC(C)CC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000731052 [0,1,0,0,0,0|1,0,2]=4 1188 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000731052 [0,1,0,0,0,0|1,0,0]=2 1189 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000731052 [0,1,0,0,0,0|2,0,0]=3 1190 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000731052 [0,1,0,0,0,0|2,0,0]=3 1191 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000731052 [0,1,0,0,0,0|2,0,0]=3 1192 B16R1.6944 CC(C)CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000731052 [0,1,0,0,0,0|1,0,2]=4 1193 B16R1.6944 CC(C)CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000731052 [0,1,0,0,0,0|2,0,1]=4 1194 B16R1.6944 CC(C)CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000731052 [0,1,0,0,0,0|2,0,1]=4 1195 B16R1.6944 CC(C)CN(C)C(=O)C#Cc1ccccc1 240690a_100000747067_100000736102 [0,1,0,0,0,0|1,0,2]=4 1196 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000747067_100000210462 [0,1,0,0,0,0|1,0,0]=2 1197 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000747067_100000210462 [0,1,0,0,0,0|1,0,0]=2 1198 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccn1 11a_100000747067_100000740811 [0,1,0,0,0,0|2,0,0]=3 1199 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccn1 240690a_100000747067_100000740811 [0,1,0,0,0,0|2,0,0]=3 1200 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1cccnc1 11a_100000747067_100000735890 [0,1,0,0,0,0|2,0,0]=3 1201 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1cccnc1 240690a_100000747067_100000735890 [0,1,0,0,0,0|2,0,0]=3 1202 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccncc1 240690a_100000747067_100000682801 [0,1,0,0,0,0|2,0,0]=3 1203 B16R1.6944 CC(C)CN(C)C(=O)CCc1ccccc1 11a_100000747067_100000185753 [0,1,0,0,0,0|1,0,2]=4 1204 B16R1.6944 CC(C)CN(C)C(=O)CCc1ccccc1 1626a_100000747067_100000185753 [0,1,0,0,0,0|1,0,2]=4 1205 B16R1.6944 CC(C)CN(C)C(=O)CCc1ccccc1 240690a_100000747067_100000185753 [0,1,0,0,0,0|1,0,2]=4 1206 B16R1.6944 CC(C)CN(C)C(=O)CCc1ccccc1 527a_100000747067_100000185753 [0,1,0,0,0,0|1,0,2]=4 1207 B16R1.6944 CC(C)CN(C)C(=O)COc1ccccc1 11a_100000747067_100000186222 [0,1,0,0,0,0|2,0,1]=4 1208 B16R1.6944 CC(C)CN(C)C(=O)COc1ccccc1 1626a_100000747067_100000186222 [0,1,0,0,0,0|2,0,1]=4 1209 B16R1.6944 CC(C)CN(C)C(=O)COc1ccccc1 240690a_100000747067_100000186222 [0,1,0,0,0,0|2,0,1]=4 1210 B16R1.6944 CC(C)CN(C)C(=O)COc1ccccc1 527a_100000747067_100000186222 [0,1,0,0,0,0|2,0,1]=4 1211 B16R1.6944 CC(C)CN(C)C(=O)CSc1ccccc1 11a_100000747067_100000211596 [0,1,0,0,0,0|2,0,1]=4 1212 B16R1.6944 CC(C)CN(C)C(=O)CSc1ccccc1 1626a_100000747067_100000211596 [0,1,0,0,0,0|2,0,1]=4 1213 B16R1.6944 CC(C)CN(C)C(=O)CSc1ccccc1 240690a_100000747067_100000211596 [0,1,0,0,0,0|2,0,1]=4 1214 B16R1.6944 CC(C)CN(C)C(=O)CSc1ccccc1 527a_100000747067_100000211596 [0,1,0,0,0,0|2,0,1]=4 1215 B16R1.6944 CC(C)CN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000747067 [0,1,0,0,0,0|2,0,1]=4 1216 B16R1.6944 CC(C)CN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000747067 [0,1,0,0,0,0|2,0,1]=4 1217 B16R1.6944 CC(C)C[C@H](O)C(=O)CCc1ccccc1 1458a_100012027011_100000765856 [0,1,0,0,0,0|1,0,2]=4 1218 B16R1.6944 CC(C)C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_100012027011 [0,1,0,0,0,0|2,0,1]=4 1219 B16R1.6944 CC(C)C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100012027011 [0,1,0,0,0,0|2,0,1]=4 1220 B16R1.6944 CC(C)C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_100012027011 [0,1,0,0,0,0|3,0,0]=4 1221 B16R1.6944 CC(O)CN(C)C(=O)C=Cc1ccccn1 240690a_100000227577_100000740811 [0,1,0,0,0,0|3,0,0]=4 1222 B16R1.6944 CC(O)CN(C)C(=O)C=Cc1cccnc1 240690a_100000227577_100000735890 [0,1,0,0,0,0|3,0,0]=4 1223 B16R1.6944 CC(O)CN(C)C(=O)C=Cc1ccncc1 240690a_100000227577_100000682801 [0,1,0,0,0,0|3,0,0]=4 1224 B16R1.7611 C=C(C)CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000730704 [0,1,0,0,0,0|1,0,2]=4 1225 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 11a_100000765925_100000743005 [0,1,0,0,0,0|1,0,2]=4 1226 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 1626a_100000765925_100000743005 [0,1,0,0,0,0|1,0,2]=4 1227 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 240690a_100000765925_100000743005 [0,1,0,0,0,0|1,0,2]=4 1228 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 527a_100000765925_100000743005 [0,1,0,0,0,0|1,0,2]=4 1229 B16R1.7611 CC(=CC(=O)CCC(C)C)c1ccccc1 1458a_100000743005_100000210312 [0,1,0,0,0,0|1,0,0]=2 1230 B16R1.7611 CC(=CC(=O)CCC(C)O)c1ccccc1 1458a_100000743005_100012276601 [0,1,0,0,0,0|2,0,0]=3 1231 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 11a_100000210953_100000743005 [0,1,0,0,0,0|1,0,0]=2 1232 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 1626a_100000210953_100000743005 [0,1,0,0,0,0|1,0,0]=2 1233 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 240690a_100000210953_100000743005 [0,1,0,0,0,0|1,0,0]=2 1234 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 527a_100000210953_100000743005 [0,1,0,0,0,0|1,0,0]=2 1235 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 11a_100000210904_100000743005 [0,1,0,0,0,0|2,0,0]=3 1236 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 240690a_100000210904_100000743005 [0,1,0,0,0,0|2,0,0]=3 1237 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 527a_100000210904_100000743005 [0,1,0,0,0,0|2,0,0]=3 1238 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 11a_100000765723_100000743005 [0,1,0,0,0,0|3,0,0]=4 1239 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 1626a_100000765723_100000743005 [0,1,0,0,0,0|3,0,0]=4 1240 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 240690a_100000765723_100000743005 [0,1,0,0,0,0|3,0,0]=4 1241 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 527a_100000765723_100000743005 [0,1,0,0,0,0|3,0,0]=4 1242 B16R1.7611 CC(=CC(=O)NNC(C)C)c1ccccc1 22a_100000741168_100000743005 [0,1,0,0,0,0|2,0,0]=3 1243 B16R1.7611 CC(=CCC(=O)C=C(C)c1ccccc1)C 1458a_100000743005_100000761012 [0,1,0,0,0,0|1,0,2]=4 1244 B16R1.7611 CC(C)C=CC(=O)CC(=O)c1ccccc1 1458a_100016268746_100000211460 [0,1,0,0,0,0|1,0,2]=4 1245 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000181311_100000211460 [0,1,0,0,0,0|1,0,1]=3 1246 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccn1 1458a_100000181311_100000027445 [0,1,0,0,0,0|2,0,1]=4 1247 B16R1.7611 CC(C)CCC(=O)CC(=O)c1cccnc1 1458a_100000181311_100015188593 [0,1,0,0,0,0|2,0,1]=4 1248 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccncc1 1458a_100000181311_100000027454 [0,1,0,0,0,0|2,0,1]=4 1249 B16R1.7611 CC(C)CCC(=O)CC(C)c1ccccc1 1458a_100000181311_100000756946 [0,1,0,0,0,0|1,0,2]=4 1250 B16R1.7611 CC(C)CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210312 [0,1,0,0,0,0|1,0,2]=4 1251 B16R1.7611 CC(C)CCC(=O)CC(O)c1ccccc1 1458a_100000181311_100000185958 [0,1,0,0,0,0|1,0,2]=4 1252 B16R1.7611 CC(C)CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210312 [0,1,0,0,0,0|1,0,2]=4 1253 B16R1.7611 CC(C)CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210312 [0,1,0,0,0,0|2,0,1]=4 1254 B16R1.7611 CC(C)CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000181311_100011933945 [0,1,0,0,0,0|1,0,2]=4 1255 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000181311 [0,1,0,0,0,0|2,0,1]=4 1256 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000181311 [0,1,0,0,0,0|2,0,1]=4 1257 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000181311 [0,1,0,0,0,0|2,0,1]=4 1258 B16R1.7611 CC(C)CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000181311 [0,1,0,0,0,0|2,0,1]=4 1259 B16R1.7611 CC(C)CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183291 [0,1,0,0,0,0|1,0,1]=3 1260 B16R1.7611 CC(C)CNC(=O)CC(C)c1ccccc1 11a_100000210953_100000183687 [0,1,0,0,0,0|1,0,2]=4 1261 B16R1.7611 CC(C)CNC(=O)CC(C)c1ccccc1 1626a_100000210953_100000183687 [0,1,0,0,0,0|1,0,2]=4 1262 B16R1.7611 CC(C)CNC(=O)CC(C)c1ccccc1 240690a_100000210953_100000183687 [0,1,0,0,0,0|1,0,2]=4 1263 B16R1.7611 CC(C)CNC(=O)CC(C)c1ccccc1 527a_100000210953_100000183687 [0,1,0,0,0,0|1,0,2]=4 1264 B16R1.7611 CC(C)CNC(=O)CC(O)c1ccccc1 240690a_100000210953_100000690199 [0,1,0,0,0,0|1,0,2]=4 1265 B16R1.7611 CC(C)CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183291 [0,1,0,0,0,0|2,0,1]=4 1266 B16R1.7611 CC(C)CNC(=O)CN(C)c1ccccc1 240690a_100000210953_100000745425 [0,1,0,0,0,0|2,0,1]=4 1267 B16R1.7611 CC(C)CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183291 [0,1,0,0,0,0|2,0,1]=4 1268 B16R1.7611 CC(C)CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183291 [0,1,0,0,0,0|2,0,1]=4 1269 B16R1.7611 CC(C)CNC(=O)CN(C)c1ccccc1 527a_100000210953_100000745425 [0,1,0,0,0,0|2,0,1]=4 1270 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 2708a_100000210953_100000751104 [0,1,0,0,0,0|2,0,1]=4 1271 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100000210953 [0,1,0,0,0,0|2,0,1]=4 1272 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 273464a_100000210953_100000751104 [0,1,0,0,0,0|2,0,1]=4 1273 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100000210953 [0,1,0,0,0,0|2,0,1]=4 1274 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 512a_100000210953_100000751104 [0,1,0,0,0,0|2,0,1]=4 1275 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100000210953 [0,1,0,0,0,0|2,0,1]=4 1276 B16R1.7611 CC(C)OCC(=O)CC(=O)c1ccccc1 1458a_100000745533_100000211460 [0,1,0,0,0,0|2,0,1]=4 1277 B16R1.7611 CC(C)SCC(=O)CC(=O)c1ccccc1 1458a_100000241585_100000211460 [0,1,0,0,0,0|2,0,1]=4 1278 B16R1.7611 CC(C)SCC(=O)NC(=O)c1ccccc1 62a_100000210206_100000010347 [0,1,0,0,0,0|3,0,0]=4 1279 B16R1.7611 C[S+](C)CCC(=O)CC(=O)c1ccccc1 1458a_100009452791_100000211460 [0,1,0,0,0,0|2,0,1]=4 1280 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000730704 [0,1,0,0,0,0|1,0,2]=4 1281 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000730704 [0,1,0,0,0,0|1,0,2]=4 1282 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000730704 [0,1,0,0,0,0|1,0,2]=4 1283 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000730704 [0,1,0,0,0,0|1,0,2]=4 1284 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000730704 [0,1,0,0,0,0|1,0,2]=4 1285 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000765925_100016258244 [0,1,0,0,0,0|1,0,2]=4 1286 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000765925_100016258244 [0,1,0,0,0,0|1,0,2]=4 1287 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000765925_100016258244 [0,1,0,0,0,0|1,0,2]=4 1288 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 11a_100000765925_100000690095 [0,1,0,0,0,0|1,0,2]=4 1289 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 1626a_100000765925_100000690095 [0,1,0,0,0,0|1,0,2]=4 1290 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 240690a_100000765925_100000690095 [0,1,0,0,0,0|1,0,2]=4 1291 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000765925_100000184502 [0,1,0,0,0,0|1,0,2]=4 1292 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000765925_100000184502 [0,1,0,0,0,0|1,0,2]=4 1293 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000765925_100000184502 [0,1,0,0,0,0|1,0,2]=4 1294 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000765925_100000718793 [0,1,0,0,0,0|1,0,2]=4 1295 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000765925_100000718793 [0,1,0,0,0,0|1,0,2]=4 1296 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000765925_100000718793 [0,1,0,0,0,0|1,0,2]=4 1297 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000765925_100020647043 [0,1,0,0,0,0|1,0,2]=4 1298 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000765925_100020647043 [0,1,0,0,0,0|1,0,2]=4 1299 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000765925_100020647043 [0,1,0,0,0,0|1,0,2]=4 1300 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)Br)C 1458a_100016258244_100000761012 [0,1,0,0,0,0|1,0,2]=4 1301 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)C)C 1458a_100000690095_100000761012 [0,1,0,0,0,0|1,0,2]=4 1302 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)Cl)C 1458a_100000184502_100000761012 [0,1,0,0,0,0|1,0,2]=4 1303 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)F)C 1458a_100000718793_100000761012 [0,1,0,0,0,0|1,0,2]=4 1304 B16R1.11227 CC(=CCC(=O)C=Cc1cccc(c1)I)C 1458a_100020647043_100000761012 [0,1,0,0,0,0|1,0,2]=4 1305 B16R1.11227 CC(=NNC(C)C)C=Cc1cccc(c1)Br 4a_100000741168_200016266566 [0,1,0,0,0,0|3,0,0]=4 1306 B16R1.11227 CC(=NNC(C)C)C=Cc1cccc(c1)Cl 4a_100000741168_200016280735 [0,1,0,0,0,0|3,0,0]=4 1307 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210312 [0,1,0,0,0,0|1,0,2]=4 1308 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210312 [0,1,0,0,0,0|1,0,2]=4 1309 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210312 [0,1,0,0,0,0|1,0,2]=4 1310 B16R1.11227 CC(C)CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210312 [0,1,0,0,0,0|1,0,2]=4 1311 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210312 [0,1,0,0,0,0|1,0,0]=2 1312 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210476 [0,1,0,0,0,0|1,0,0]=2 1313 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210312 [0,1,0,0,0,0|1,0,0]=2 1314 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210312 [0,1,0,0,0,0|1,0,0]=2 1315 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210476 [0,1,0,0,0,0|1,0,0]=2 1316 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210312 [0,1,0,0,0,0|1,0,0]=2 1317 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210476 [0,1,0,0,0,0|1,0,0]=2 1318 B16R1.11227 CC(C)CCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000210476 [0,1,0,0,0,0|2,0,0]=3 1319 B16R1.11227 CC(C)CCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000210476 [0,1,0,0,0,0|2,0,0]=3 1320 B16R1.11227 CC(C)CCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000210476 [0,1,0,0,0,0|2,0,0]=3 1321 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Br 1458a_100000181311_100011740638 [0,1,0,0,0,0|1,0,2]=4 1322 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210312 [0,1,0,0,0,0|1,0,2]=4 1323 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Cl 1458a_100000181311_100011713710 [0,1,0,0,0,0|1,0,2]=4 1324 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210312 [0,1,0,0,0,0|1,0,2]=4 1325 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)F 1458a_100000181311_100011217235 [0,1,0,0,0,0|1,0,2]=4 1326 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210312 [0,1,0,0,0,0|1,0,2]=4 1327 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210312 [0,1,0,0,0,0|1,0,2]=4 1328 B16R1.11227 CC(C)CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210312 [0,1,0,0,0,0|1,0,2]=4 1329 B16R1.11227 CC(C)CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210312 [0,1,0,0,0,0|2,0,1]=4 1330 B16R1.11227 CC(C)CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210312 [0,1,0,0,0,0|2,0,1]=4 1331 B16R1.11227 CC(C)CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210312 [0,1,0,0,0,0|2,0,1]=4 1332 B16R1.11227 CC(C)CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210312 [0,1,0,0,0,0|2,0,1]=4 1333 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000181311 [0,1,0,0,0,0|2,0,1]=4 1334 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000181311 [0,1,0,0,0,0|2,0,1]=4 1335 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000181311 [0,1,0,0,0,0|2,0,1]=4 1336 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000181311 [0,1,0,0,0,0|2,0,1]=4 1337 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000181311 [0,1,0,0,0,0|2,0,1]=4 1338 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000181311 [0,1,0,0,0,0|2,0,1]=4 1339 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000181311 [0,1,0,0,0,0|2,0,1]=4 1340 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000181311 [0,1,0,0,0,0|2,0,1]=4 1341 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 11a_100000174948_100000181311 [0,1,0,0,0,0|2,0,1]=4 1342 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000181311 [0,1,0,0,0,0|2,0,1]=4 1343 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000181311 [0,1,0,0,0,0|2,0,1]=4 1344 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F 527a_100000174948_100000181311 [0,1,0,0,0,0|2,0,1]=4 1345 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 11a_100000106179_100000181311 [0,1,0,0,0,0|2,0,1]=4 1346 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000181311 [0,1,0,0,0,0|2,0,1]=4 1347 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000181311 [0,1,0,0,0,0|2,0,1]=4 1348 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I 527a_100000106179_100000181311 [0,1,0,0,0,0|2,0,1]=4 1349 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000181311 [0,1,0,0,0,0|2,0,1]=4 1350 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000181311 [0,1,0,0,0,0|2,0,1]=4 1351 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000181311 [0,1,0,0,0,0|3,0,0]=4 1352 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000181311 [0,1,0,0,0,0|3,0,0]=4 1353 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)F 22a_100000745080_100000181311 [0,1,0,0,0,0|3,0,0]=4 1354 B16R1.11227 CC(C)CCC(=O)NNc1cccc(c1)I 22a_100020605690_100000181311 [0,1,0,0,0,0|3,0,0]=4 1355 B16R1.11227 CC(C)CNC(=O)C#Cc1cccc(c1)Cl 240690a_100000210953_100011892777 [0,1,0,0,0,0|1,0,2]=4 1356 B16R1.11227 CC(C)CNC(=O)C#Cc1cccc(c1)F 240690a_100000210953_100011892744 [0,1,0,0,0,0|1,0,2]=4 1357 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000210953_100016258244 [0,1,0,0,0,0|1,0,0]=2 1358 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000210953_100016258244 [0,1,0,0,0,0|1,0,0]=2 1359 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000210953_100016258244 [0,1,0,0,0,0|1,0,0]=2 1360 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000210953_100000184502 [0,1,0,0,0,0|1,0,0]=2 1361 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000210953_100000184502 [0,1,0,0,0,0|1,0,0]=2 1362 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210953_100000184502 [0,1,0,0,0,0|1,0,0]=2 1363 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000210953_100000718793 [0,1,0,0,0,0|1,0,0]=2 1364 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000210953_100000718793 [0,1,0,0,0,0|1,0,0]=2 1365 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000210953_100000718793 [0,1,0,0,0,0|1,0,0]=2 1366 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000210953_100020647043 [0,1,0,0,0,0|1,0,0]=2 1367 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000210953_100020647043 [0,1,0,0,0,0|1,0,0]=2 1368 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000210953_100020647043 [0,1,0,0,0,0|1,0,0]=2 1369 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Br 11a_100000210953_100000184314 [0,1,0,0,0,0|1,0,2]=4 1370 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Br 1626a_100000210953_100000184314 [0,1,0,0,0,0|1,0,2]=4 1371 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Br 240690a_100000210953_100000184314 [0,1,0,0,0,0|1,0,2]=4 1372 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Br 527a_100000210953_100000184314 [0,1,0,0,0,0|1,0,2]=4 1373 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Cl 11a_100000210953_100000235675 [0,1,0,0,0,0|1,0,2]=4 1374 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Cl 1626a_100000210953_100000235675 [0,1,0,0,0,0|1,0,2]=4 1375 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Cl 240690a_100000210953_100000235675 [0,1,0,0,0,0|1,0,2]=4 1376 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Cl 527a_100000210953_100000235675 [0,1,0,0,0,0|1,0,2]=4 1377 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)F 11a_100000210953_100000235673 [0,1,0,0,0,0|1,0,2]=4 1378 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)F 1626a_100000210953_100000235673 [0,1,0,0,0,0|1,0,2]=4 1379 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)F 240690a_100000210953_100000235673 [0,1,0,0,0,0|1,0,2]=4 1380 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)F 527a_100000210953_100000235673 [0,1,0,0,0,0|1,0,2]=4 1381 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)I 11a_100000210953_100010007846 [0,1,0,0,0,0|1,0,2]=4 1382 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)I 1626a_100000210953_100010007846 [0,1,0,0,0,0|1,0,2]=4 1383 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)I 240690a_100000210953_100010007846 [0,1,0,0,0,0|1,0,2]=4 1384 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)I 527a_100000210953_100010007846 [0,1,0,0,0,0|1,0,2]=4 1385 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)O 240690a_100000210953_100011216126 [0,1,0,0,0,0|1,0,2]=4 1386 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)O 527a_100000210953_100011216126 [0,1,0,0,0,0|1,0,2]=4 1387 B16R1.11227 CC(C)CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183291 [0,1,0,0,0,0|2,0,1]=4 1388 B16R1.11227 CC(C)CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183291 [0,1,0,0,0,0|2,0,1]=4 1389 B16R1.11227 CC(C)CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183291 [0,1,0,0,0,0|2,0,1]=4 1390 B16R1.11227 CC(C)CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183291 [0,1,0,0,0,0|2,0,1]=4 1391 B16R1.11227 CC(C)CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183291 [0,1,0,0,0,0|2,0,1]=4 1392 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Br 11a_100000210953_100000182359 [0,1,0,0,0,0|2,0,1]=4 1393 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Br 1626a_100000210953_100000182359 [0,1,0,0,0,0|2,0,1]=4 1394 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Br 240690a_100000210953_100000182359 [0,1,0,0,0,0|2,0,1]=4 1395 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183291 [0,1,0,0,0,0|2,0,1]=4 1396 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Br 527a_100000210953_100000182359 [0,1,0,0,0,0|2,0,1]=4 1397 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183291 [0,1,0,0,0,0|2,0,1]=4 1398 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl 11a_100000210953_100000184978 [0,1,0,0,0,0|2,0,1]=4 1399 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl 1626a_100000210953_100000184978 [0,1,0,0,0,0|2,0,1]=4 1400 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl 240690a_100000210953_100000184978 [0,1,0,0,0,0|2,0,1]=4 1401 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183291 [0,1,0,0,0,0|2,0,1]=4 1402 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl 527a_100000210953_100000184978 [0,1,0,0,0,0|2,0,1]=4 1403 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183291 [0,1,0,0,0,0|2,0,1]=4 1404 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)F 11a_100000210953_100000182781 [0,1,0,0,0,0|2,0,1]=4 1405 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)F 1626a_100000210953_100000182781 [0,1,0,0,0,0|2,0,1]=4 1406 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)F 240690a_100000210953_100000182781 [0,1,0,0,0,0|2,0,1]=4 1407 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183291 [0,1,0,0,0,0|2,0,1]=4 1408 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)F 527a_100000210953_100000182781 [0,1,0,0,0,0|2,0,1]=4 1409 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183291 [0,1,0,0,0,0|2,0,1]=4 1410 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183291 [0,1,0,0,0,0|2,0,1]=4 1411 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183291 [0,1,0,0,0,0|2,0,1]=4 1412 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183291 [0,1,0,0,0,0|2,0,1]=4 1413 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Br 11a_100000210953_100000760868 [0,1,0,0,0,0|2,0,1]=4 1414 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Br 1626a_100000210953_100000760868 [0,1,0,0,0,0|2,0,1]=4 1415 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Br 240690a_100000210953_100000760868 [0,1,0,0,0,0|2,0,1]=4 1416 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Br 527a_100000210953_100000760868 [0,1,0,0,0,0|2,0,1]=4 1417 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Br 62a_100000183291_100000691529 [0,1,0,0,0,0|2,0,1]=4 1418 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183291 [0,1,0,0,0,0|2,0,1]=4 1419 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Cl 62a_100000183291_100000699651 [0,1,0,0,0,0|2,0,1]=4 1420 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183291 [0,1,0,0,0,0|2,0,1]=4 1421 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)F 62a_100000183291_100000685547 [0,1,0,0,0,0|2,0,1]=4 1422 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183291 [0,1,0,0,0,0|2,0,1]=4 1423 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)N 62a_100000183291_100000210019 [0,1,0,0,0,0|2,0,1]=4 1424 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183291 [0,1,0,0,0,0|2,0,1]=4 1425 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)O 62a_100000183291_100000211634 [0,1,0,0,0,0|2,0,1]=4 1426 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)[S] 62a_100000183291_114929384022 [0,1,0,0,0,0|2,0,1]=4 1427 B16R1.11227 CC(C)CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183291 [0,1,0,0,0,0|2,0,1]=4 1428 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100000210953 [0,1,0,0,0,0|2,0,1]=4 1429 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Br 2708a_100000210953_100000174977 [0,1,0,0,0,0|2,0,1]=4 1430 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100000210953 [0,1,0,0,0,0|2,0,1]=4 1431 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Br 273464a_100000210953_100000174977 [0,1,0,0,0,0|2,0,1]=4 1432 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100000210953 [0,1,0,0,0,0|2,0,1]=4 1433 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Br 512a_100000210953_100000174977 [0,1,0,0,0,0|2,0,1]=4 1434 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000210953 [0,1,0,0,0,0|2,0,1]=4 1435 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Cl 2708a_100000210953_100000174878 [0,1,0,0,0,0|2,0,1]=4 1436 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000210953 [0,1,0,0,0,0|2,0,1]=4 1437 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Cl 273464a_100000210953_100000174878 [0,1,0,0,0,0|2,0,1]=4 1438 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100000210953 [0,1,0,0,0,0|2,0,1]=4 1439 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)Cl 512a_100000210953_100000174878 [0,1,0,0,0,0|2,0,1]=4 1440 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F 2708a_100000174948_100000210953 [0,1,0,0,0,0|2,0,1]=4 1441 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F 2708a_100000210953_100000174948 [0,1,0,0,0,0|2,0,1]=4 1442 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100000210953 [0,1,0,0,0,0|2,0,1]=4 1443 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F 273464a_100000210953_100000174948 [0,1,0,0,0,0|2,0,1]=4 1444 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F 512a_100000174948_100000210953 [0,1,0,0,0,0|2,0,1]=4 1445 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F 512a_100000210953_100000174948 [0,1,0,0,0,0|2,0,1]=4 1446 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)I 2708a_100000106179_100000210953 [0,1,0,0,0,0|2,0,1]=4 1447 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)I 2708a_100000210953_100000106179 [0,1,0,0,0,0|2,0,1]=4 1448 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100000210953 [0,1,0,0,0,0|2,0,1]=4 1449 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)I 273464a_100000210953_100000106179 [0,1,0,0,0,0|2,0,1]=4 1450 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)I 512a_100000106179_100000210953 [0,1,0,0,0,0|2,0,1]=4 1451 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)I 512a_100000210953_100000106179 [0,1,0,0,0,0|2,0,1]=4 1452 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)O 2708a_100000210953_100000743036 [0,1,0,0,0,0|2,0,1]=4 1453 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)O 2708a_100000743036_100000210953 [0,1,0,0,0,0|2,0,1]=4 1454 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)O 273464a_100000210953_100000743036 [0,1,0,0,0,0|2,0,1]=4 1455 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100000210953 [0,1,0,0,0,0|2,0,1]=4 1456 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)O 512a_100000210953_100000743036 [0,1,0,0,0,0|2,0,1]=4 1457 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)O 512a_100000743036_100000210953 [0,1,0,0,0,0|2,0,1]=4 1458 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)Br 273464a_100000210953_100000217339 [0,1,0,0,0,0|3,0,0]=4 1459 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)Br 512a_100000210953_100000217339 [0,1,0,0,0,0|3,0,0]=4 1460 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)Br 512a_100000217339_100000210953 [0,1,0,0,0,0|3,0,0]=4 1461 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)Cl 273464a_100000210953_100000184277 [0,1,0,0,0,0|3,0,0]=4 1462 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)Cl 512a_100000210953_100000184277 [0,1,0,0,0,0|3,0,0]=4 1463 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)F 273464a_100000210953_100000745080 [0,1,0,0,0,0|3,0,0]=4 1464 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)F 512a_100000210953_100000745080 [0,1,0,0,0,0|3,0,0]=4 1465 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)F 512a_100000745080_100000210953 [0,1,0,0,0,0|3,0,0]=4 1466 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)I 273464a_100000210953_100020605690 [0,1,0,0,0,0|3,0,0]=4 1467 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)I 512a_100000210953_100020605690 [0,1,0,0,0,0|3,0,0]=4 1468 B16R1.11227 CC(C)CNC(=O)NNc1cccc(c1)I 512a_100020605690_100000210953 [0,1,0,0,0,0|3,0,0]=4 1469 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)Br 22a_100000741168_100016258244 [0,1,0,0,0,0|2,0,0]=3 1470 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)Cl 22a_100000741168_100000184502 [0,1,0,0,0,0|2,0,0]=3 1471 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)F 22a_100000741168_100000718793 [0,1,0,0,0,0|2,0,0]=3 1472 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)I 22a_100000741168_100020647043 [0,1,0,0,0,0|2,0,0]=3 1473 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)O 22a_100000741168_100102525460 [0,1,0,0,0,0|2,0,0]=3 1474 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100012276601 [0,1,0,0,0,0|2,0,0]=3 1475 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100012276601 [0,1,0,0,0,0|2,0,0]=3 1476 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100012276601 [0,1,0,0,0,0|2,0,0]=3 1477 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100012276601 [0,1,0,0,0,0|2,0,0]=3 1478 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Br 11a_100000210904_100016258244 [0,1,0,0,0,0|2,0,0]=3 1479 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000210904_100016258244 [0,1,0,0,0,0|2,0,0]=3 1480 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000210904_100000184502 [0,1,0,0,0,0|2,0,0]=3 1481 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210904_100000184502 [0,1,0,0,0,0|2,0,0]=3 1482 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)F 11a_100000210904_100000718793 [0,1,0,0,0,0|2,0,0]=3 1483 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)F 240690a_100000210904_100000718793 [0,1,0,0,0,0|2,0,0]=3 1484 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)I 11a_100000210904_100020647043 [0,1,0,0,0,0|2,0,0]=3 1485 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)I 240690a_100000210904_100020647043 [0,1,0,0,0,0|2,0,0]=3 1486 B16R1.11227 Cc1cccc(c1)C#CC(=O)CCC(C)C 1458a_100011892726_100000210312 [0,1,0,0,0,0|1,0,2]=4 1487 B16R1.11227 Cc1cccc(c1)C#CC(=O)NCC(C)C 240690a_100000210953_100011892726 [0,1,0,0,0,0|1,0,2]=4 1488 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)C 1458a_100000690095_100000210312 [0,1,0,0,0,0|1,0,0]=2 1489 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)O 1458a_100000690095_100012276601 [0,1,0,0,0,0|2,0,0]=3 1490 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 11a_100000210953_100000690095 [0,1,0,0,0,0|1,0,0]=2 1491 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 1626a_100000210953_100000690095 [0,1,0,0,0,0|1,0,0]=2 1492 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 240690a_100000210953_100000690095 [0,1,0,0,0,0|1,0,0]=2 1493 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 11a_100000210904_100000690095 [0,1,0,0,0,0|2,0,0]=3 1494 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 240690a_100000210904_100000690095 [0,1,0,0,0,0|2,0,0]=3 1495 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(F)F 11a_100000765723_100000690095 [0,1,0,0,0,0|3,0,0]=4 1496 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(F)F 1626a_100000765723_100000690095 [0,1,0,0,0,0|3,0,0]=4 1497 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(F)F 240690a_100000765723_100000690095 [0,1,0,0,0,0|3,0,0]=4 1498 B16R1.11227 Cc1cccc(c1)C=CC(=O)NNC(C)C 22a_100000741168_100000690095 [0,1,0,0,0,0|2,0,0]=3 1499 B16R1.11227 Cc1cccc(c1)CCC(=O)CCC(C)C 1458a_100000181311_100011713685 [0,1,0,0,0,0|1,0,2]=4 1500 B16R1.11227 Cc1cccc(c1)CCC(=O)CCC(C)C 1458a_100000234952_100000210312 [0,1,0,0,0,0|1,0,2]=4 1501 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)C 11a_100000210953_100000234952 [0,1,0,0,0,0|1,0,2]=4 1502 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)C 1626a_100000210953_100000234952 [0,1,0,0,0,0|1,0,2]=4 1503 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)C 240690a_100000210953_100000234952 [0,1,0,0,0,0|1,0,2]=4 1504 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)C 527a_100000210953_100000234952 [0,1,0,0,0,0|1,0,2]=4 1505 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 11a_100000185548_100000181311 [0,1,0,0,0,0|2,0,1]=4 1506 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 1626a_100000185548_100000181311 [0,1,0,0,0,0|2,0,1]=4 1507 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 240690a_100000185548_100000181311 [0,1,0,0,0,0|2,0,1]=4 1508 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C 527a_100000185548_100000181311 [0,1,0,0,0,0|2,0,1]=4 1509 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C 2708a_100000185548_100000210953 [0,1,0,0,0,0|2,0,1]=4 1510 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C 2708a_100000210953_100000185548 [0,1,0,0,0,0|2,0,1]=4 1511 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C 273464a_100000185548_100000210953 [0,1,0,0,0,0|2,0,1]=4 1512 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C 273464a_100000210953_100000185548 [0,1,0,0,0,0|2,0,1]=4 1513 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C 512a_100000185548_100000210953 [0,1,0,0,0,0|2,0,1]=4 1514 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C 512a_100000210953_100000185548 [0,1,0,0,0,0|2,0,1]=4 1515 B16R1.11227 Cc1cccc(c1)NCC(=O)NCC(C)C 2230a_100000188690_100000183291 [0,1,0,0,0,0|2,0,1]=4 1516 B16R1.11227 Cc1cccc(c1)NCC(=O)NCC(C)C 34a_100000188690_100000183291 [0,1,0,0,0,0|2,0,1]=4 1517 B16R1.11227 Cc1cccc(c1)NNC(=O)CCC(C)C 22a_100000681630_100000181311 [0,1,0,0,0,0|3,0,0]=4 1518 B16R1.11227 Cc1cccc(c1)NNC(=O)NCC(C)C 273464a_100000210953_100000681630 [0,1,0,0,0,0|3,0,0]=4 1519 B16R1.11227 Cc1cccc(c1)NNC(=O)NCC(C)C 512a_100000210953_100000681630 [0,1,0,0,0,0|3,0,0]=4 1520 B16R1.11227 Cc1cccc(c1)NNC(=O)NCC(C)C 512a_100000681630_100000210953 [0,1,0,0,0,0|3,0,0]=4 1521 B16R1.11227 Cc1cccc(c1)OCC(=O)CCC(C)C 1458a_100000183606_100000210312 [0,1,0,0,0,0|2,0,1]=4 1522 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)C 11a_100000210953_100000183606 [0,1,0,0,0,0|2,0,1]=4 1523 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)C 1626a_100000210953_100000183606 [0,1,0,0,0,0|2,0,1]=4 1524 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)C 240690a_100000210953_100000183606 [0,1,0,0,0,0|2,0,1]=4 1525 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)C 34a_100000210337_100000183291 [0,1,0,0,0,0|2,0,1]=4 1526 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)C 527a_100000210953_100000183606 [0,1,0,0,0,0|2,0,1]=4 1527 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)C 7a_100000210337_100000183291 [0,1,0,0,0,0|2,0,1]=4 1528 B16R1.11227 Cc1cccc(c1)SCC(=O)NCC(C)C 62a_100000183291_100011215228 [0,1,0,0,0,0|2,0,1]=4 1529 B16R1.11227 Cc1cccc(c1)SCC(=O)NCC(C)C 62a_100011215228_100000183291 [0,1,0,0,0,0|2,0,1]=4 1530 B16R1.11227 Cc1cncc(c1)C=CC(=O)CCC(C)C 6a_100011998712_100000210476 [0,1,0,0,0,0|2,0,0]=3 1531 B16R1.11227 Cc1cncc(n1)C=CC(=O)CCC(C)C 6a_100000100294_100000210476 [0,1,0,0,0,0|3,0,0]=4 1532 B16R1.11227 O=C(C=Cc1cccc(c1)Br)NCC(F)F 11a_100000765723_100016258244 [0,1,0,0,0,0|3,0,0]=4 1533 B16R1.11227 O=C(C=Cc1cccc(c1)Br)NCC(F)F 1626a_100000765723_100016258244 [0,1,0,0,0,0|3,0,0]=4 1534 B16R1.11227 O=C(C=Cc1cccc(c1)Br)NCC(F)F 240690a_100000765723_100016258244 [0,1,0,0,0,0|3,0,0]=4 1535 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F 11a_100000765723_100000184502 [0,1,0,0,0,0|3,0,0]=4 1536 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F 1626a_100000765723_100000184502 [0,1,0,0,0,0|3,0,0]=4 1537 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F 240690a_100000765723_100000184502 [0,1,0,0,0,0|3,0,0]=4 1538 B16R1.11227 O=C(C=Cc1cccc(c1)F)NCC(F)F 11a_100000765723_100000718793 [0,1,0,0,0,0|3,0,0]=4 1539 B16R1.11227 O=C(C=Cc1cccc(c1)F)NCC(F)F 1626a_100000765723_100000718793 [0,1,0,0,0,0|3,0,0]=4 1540 B16R1.11227 O=C(C=Cc1cccc(c1)F)NCC(F)F 240690a_100000765723_100000718793 [0,1,0,0,0,0|3,0,0]=4 1541 B16R1.11227 O=C(C=Cc1cccc(c1)I)NCC(F)F 11a_100000765723_100020647043 [0,1,0,0,0,0|3,0,0]=4 1542 B16R1.11227 O=C(C=Cc1cccc(c1)I)NCC(F)F 1626a_100000765723_100020647043 [0,1,0,0,0,0|3,0,0]=4 1543 B16R1.11227 O=C(C=Cc1cccc(c1)I)NCC(F)F 240690a_100000765723_100020647043 [0,1,0,0,0,0|3,0,0]=4 1544 B16R1.22556 CC(=NNC(C)(C)C)C=Cc1ccccc1 4a_100000725372_100000204604 [0,1,0,0,0,0|3,0,0]=4 1545 B16R1.22556 CC(C)(C)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000755188 [0,1,0,0,0,0|1,0,2]=4 1546 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755188 [0,1,0,0,0,0|1,0,0]=2 1547 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000755188 [0,1,0,0,0,0|2,0,0]=3 1548 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000755188 [0,1,0,0,0,0|2,0,0]=3 1549 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000755188 [0,1,0,0,0,0|2,0,0]=3 1550 B16R1.22556 CC(C)(C)CCC(=O)CCc1ccccc1 1458a_100000185753_100000755188 [0,1,0,0,0,0|1,0,2]=4 1551 B16R1.22556 CC(C)(C)CCC(=O)CCc1ccccc1 1458a_100000757465_100000765856 [0,1,0,0,0,0|1,0,2]=4 1552 B16R1.22556 CC(C)(C)CCC(=O)COc1ccccc1 1458a_100000186222_100000755188 [0,1,0,0,0,0|2,0,1]=4 1553 B16R1.22556 CC(C)(C)CCC(=O)CSc1ccccc1 1458a_100000211596_100000755188 [0,1,0,0,0,0|2,0,1]=4 1554 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000757465 [0,1,0,0,0,0|2,0,1]=4 1555 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 1626a_100015324214_100000757465 [0,1,0,0,0,0|2,0,1]=4 1556 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000757465 [0,1,0,0,0,0|2,0,1]=4 1557 B16R1.22556 CC(C)(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000757465 [0,1,0,0,0,0|2,0,1]=4 1558 B16R1.22556 CC(C)(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000757465 [0,1,0,0,0,0|3,0,0]=4 1559 B16R1.22556 CC(C)(C)CNC(=O)C#Cc1ccccc1 240690a_100000743828_100000736102 [0,1,0,0,0,0|1,0,2]=4 1560 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 11a_100000743828_100000210462 [0,1,0,0,0,0|1,0,0]=2 1561 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 1626a_100000743828_100000210462 [0,1,0,0,0,0|1,0,0]=2 1562 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccn1 11a_100000743828_100000740811 [0,1,0,0,0,0|2,0,0]=3 1563 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccn1 240690a_100000743828_100000740811 [0,1,0,0,0,0|2,0,0]=3 1564 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1cccnc1 11a_100000743828_100000735890 [0,1,0,0,0,0|2,0,0]=3 1565 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1cccnc1 240690a_100000743828_100000735890 [0,1,0,0,0,0|2,0,0]=3 1566 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccncc1 240690a_100000743828_100000682801 [0,1,0,0,0,0|2,0,0]=3 1567 B16R1.22556 CC(C)(C)CNC(=O)CCc1ccccc1 11a_100000743828_100000185753 [0,1,0,0,0,0|1,0,2]=4 1568 B16R1.22556 CC(C)(C)CNC(=O)CCc1ccccc1 1626a_100000743828_100000185753 [0,1,0,0,0,0|1,0,2]=4 1569 B16R1.22556 CC(C)(C)CNC(=O)CCc1ccccc1 240690a_100000743828_100000185753 [0,1,0,0,0,0|1,0,2]=4 1570 B16R1.22556 CC(C)(C)CNC(=O)CCc1ccccc1 527a_100000743828_100000185753 [0,1,0,0,0,0|1,0,2]=4 1571 B16R1.22556 CC(C)(C)CNC(=O)COc1ccccc1 11a_100000743828_100000186222 [0,1,0,0,0,0|2,0,1]=4 1572 B16R1.22556 CC(C)(C)CNC(=O)COc1ccccc1 1626a_100000743828_100000186222 [0,1,0,0,0,0|2,0,1]=4 1573 B16R1.22556 CC(C)(C)CNC(=O)COc1ccccc1 240690a_100000743828_100000186222 [0,1,0,0,0,0|2,0,1]=4 1574 B16R1.22556 CC(C)(C)CNC(=O)COc1ccccc1 527a_100000743828_100000186222 [0,1,0,0,0,0|2,0,1]=4 1575 B16R1.22556 CC(C)(C)CNC(=O)CSc1ccccc1 11a_100000743828_100000211596 [0,1,0,0,0,0|2,0,1]=4 1576 B16R1.22556 CC(C)(C)CNC(=O)CSc1ccccc1 1626a_100000743828_100000211596 [0,1,0,0,0,0|2,0,1]=4 1577 B16R1.22556 CC(C)(C)CNC(=O)CSc1ccccc1 240690a_100000743828_100000211596 [0,1,0,0,0,0|2,0,1]=4 1578 B16R1.22556 CC(C)(C)CNC(=O)CSc1ccccc1 527a_100000743828_100000211596 [0,1,0,0,0,0|2,0,1]=4 1579 B16R1.22556 CC(C)(C)CNC(=O)NCc1ccccc1 2708a_100000743828_100015324214 [0,1,0,0,0,0|2,0,1]=4 1580 B16R1.22556 CC(C)(C)CNC(=O)NCc1ccccc1 2708a_100015324214_100000743828 [0,1,0,0,0,0|2,0,1]=4 1581 B16R1.22556 CC(C)(C)CNC(=O)NCc1ccccc1 273464a_100000743828_100015324214 [0,1,0,0,0,0|2,0,1]=4 1582 B16R1.22556 CC(C)(C)CNC(=O)NCc1ccccc1 273464a_100015324214_100000743828 [0,1,0,0,0,0|2,0,1]=4 1583 B16R1.22556 CC(C)(C)CNC(=O)NCc1ccccc1 512a_100000743828_100015324214 [0,1,0,0,0,0|2,0,1]=4 1584 B16R1.22556 CC(C)(C)CNC(=O)NCc1ccccc1 512a_100015324214_100000743828 [0,1,0,0,0,0|2,0,1]=4 1585 B16R1.22556 CC(C)(C)CNC(=O)NNc1ccccc1 273464a_100000743828_100015195140 [0,1,0,0,0,0|3,0,0]=4 1586 B16R1.22556 CC(C)(C)CNC(=O)NNc1ccccc1 512a_100000743828_100015195140 [0,1,0,0,0,0|3,0,0]=4 1587 B16R1.22556 CC(C)(C)COC(=O)CNc1ccccc1 34a_100000106764_200010402935 [0,1,0,0,0,0|1,0,1]=3 1588 B16R1.22556 CC(C)(C)COC(=O)COc1ccccc1 34a_100000210340_200010402935 [0,1,0,0,0,0|1,0,1]=3 1589 B16R1.22556 CC(C)(C)COC(=O)COc1ccccc1 7a_100000210340_200010402935 [0,1,0,0,0,0|1,0,1]=3 1590 B16R1.22556 CC(C)(C)COC(=O)COc1cccnc1 34a_100000210849_200010402935 [0,1,0,0,0,0|2,0,1]=4 1591 B16R1.22556 CC(C)(C)COC(=O)COc1cccnc1 7a_100000210849_200010402935 [0,1,0,0,0,0|2,0,1]=4 1592 B16R1.22556 CC(C)(C)COC(=O)COc1ccncc1 34a_100000212176_200010402935 [0,1,0,0,0,0|2,0,1]=4 1593 B16R1.22556 CC(C)(C)COC(=O)CSc1ccccc1 62a_100000719477_200010402935 [0,1,0,0,0,0|1,0,1]=3 1594 B16R1.22556 CC(C)(C)COC(=O)CSc1ccccc1 62a_200010402935_100000041952 [0,1,0,0,0,0|1,0,1]=3 1595 B16R1.22556 CC(C)(C)COC(=O)CSc1ccccn1 62a_100011216584_200010402935 [0,1,0,0,0,0|2,0,1]=4 1596 B16R1.22556 CC(C)(C)COC(=O)CSc1ccccn1 62a_200010402935_100011216584 [0,1,0,0,0,0|2,0,1]=4 1597 B16R1.22556 CC(C)(C)COC(=O)CSc1cccnc1 62a_100000210063_200010402935 [0,1,0,0,0,0|2,0,1]=4 1598 B16R1.22556 CC(C)(C)COC(=O)CSc1cccnc1 62a_200010402935_100000210063 [0,1,0,0,0,0|2,0,1]=4 1599 B16R1.22556 CC(C)(C)COC(=O)CSc1ccncc1 62a_100000728582_200010402935 [0,1,0,0,0,0|2,0,1]=4 1600 B16R1.22556 CC(C)(C)COC(=O)CSc1ccncc1 62a_200010402935_100000728582 [0,1,0,0,0,0|2,0,1]=4 1601 B16R1.22556 CC(C)(C)NNC(=O)C=Cc1ccccc1 22a_100000725372_100000210462 [0,1,0,0,0,0|2,0,0]=3 1602 B16R1.22556 CC(C)(C)NNC(=O)C=Cc1ccccn1 22a_100000725372_100000740811 [0,1,0,0,0,0|3,0,0]=4 1603 B16R1.22556 CC(C)(C)NNC(=O)C=Cc1cccnc1 22a_100000725372_100000735890 [0,1,0,0,0,0|3,0,0]=4 1604 B16R1.22556 CC(C)(C)NNC(=O)C=Cc1ccncc1 22a_100000725372_100000682801 [0,1,0,0,0,0|3,0,0]=4 1605 B16R1.22556 CC(C)(F)CNC(=O)C#Cc1ccccc1 240690a_100020643315_100000736102 [0,1,0,0,0,0|1,0,2]=4 1606 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 11a_100020643315_100000210462 [0,1,0,0,0,0|1,0,0]=2 1607 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 1626a_100020643315_100000210462 [0,1,0,0,0,0|1,0,0]=2 1608 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccn1 11a_100020643315_100000740811 [0,1,0,0,0,0|2,0,0]=3 1609 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccn1 240690a_100020643315_100000740811 [0,1,0,0,0,0|2,0,0]=3 1610 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1cccnc1 11a_100020643315_100000735890 [0,1,0,0,0,0|2,0,0]=3 1611 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1cccnc1 240690a_100020643315_100000735890 [0,1,0,0,0,0|2,0,0]=3 1612 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccncc1 240690a_100020643315_100000682801 [0,1,0,0,0,0|2,0,0]=3 1613 B16R1.22556 CC(C)(F)CNC(=O)CCc1ccccc1 11a_100020643315_100000185753 [0,1,0,0,0,0|1,0,2]=4 1614 B16R1.22556 CC(C)(F)CNC(=O)CCc1ccccc1 1626a_100020643315_100000185753 [0,1,0,0,0,0|1,0,2]=4 1615 B16R1.22556 CC(C)(F)CNC(=O)CCc1ccccc1 240690a_100020643315_100000185753 [0,1,0,0,0,0|1,0,2]=4 1616 B16R1.22556 CC(C)(F)CNC(=O)CCc1ccccc1 527a_100020643315_100000185753 [0,1,0,0,0,0|1,0,2]=4 1617 B16R1.22556 CC(C)(F)CNC(=O)COc1ccccc1 11a_100020643315_100000186222 [0,1,0,0,0,0|2,0,1]=4 1618 B16R1.22556 CC(C)(F)CNC(=O)COc1ccccc1 1626a_100020643315_100000186222 [0,1,0,0,0,0|2,0,1]=4 1619 B16R1.22556 CC(C)(F)CNC(=O)COc1ccccc1 240690a_100020643315_100000186222 [0,1,0,0,0,0|2,0,1]=4 1620 B16R1.22556 CC(C)(F)CNC(=O)COc1ccccc1 527a_100020643315_100000186222 [0,1,0,0,0,0|2,0,1]=4 1621 B16R1.22556 CC(C)(F)CNC(=O)CSc1ccccc1 11a_100020643315_100000211596 [0,1,0,0,0,0|2,0,1]=4 1622 B16R1.22556 CC(C)(F)CNC(=O)CSc1ccccc1 1626a_100020643315_100000211596 [0,1,0,0,0,0|2,0,1]=4 1623 B16R1.22556 CC(C)(F)CNC(=O)CSc1ccccc1 240690a_100020643315_100000211596 [0,1,0,0,0,0|2,0,1]=4 1624 B16R1.22556 CC(C)(F)CNC(=O)CSc1ccccc1 527a_100020643315_100000211596 [0,1,0,0,0,0|2,0,1]=4 1625 B16R1.22556 CC(C)(F)CNC(=O)NCc1ccccc1 2708a_100015324214_100020643315 [0,1,0,0,0,0|2,0,1]=4 1626 B16R1.22556 CC(C)(F)CNC(=O)NCc1ccccc1 2708a_100020643315_100015324214 [0,1,0,0,0,0|2,0,1]=4 1627 B16R1.22556 CC(C)(F)CNC(=O)NCc1ccccc1 273464a_100015324214_100020643315 [0,1,0,0,0,0|2,0,1]=4 1628 B16R1.22556 CC(C)(F)CNC(=O)NCc1ccccc1 273464a_100020643315_100015324214 [0,1,0,0,0,0|2,0,1]=4 1629 B16R1.22556 CC(C)(F)CNC(=O)NCc1ccccc1 512a_100015324214_100020643315 [0,1,0,0,0,0|2,0,1]=4 1630 B16R1.22556 CC(C)(F)CNC(=O)NCc1ccccc1 512a_100020643315_100015324214 [0,1,0,0,0,0|2,0,1]=4 1631 B16R1.22556 CC(C)(F)CNC(=O)NNc1ccccc1 273464a_100020643315_100015195140 [0,1,0,0,0,0|3,0,0]=4 1632 B16R1.22556 CC(C)(F)CNC(=O)NNc1ccccc1 512a_100020643315_100015195140 [0,1,0,0,0,0|3,0,0]=4 1633 B16R1.22556 CC(C)(O)CNC(=O)C#Cc1ccccc1 240690a_100000751335_100000736102 [0,1,0,0,0,0|1,0,2]=4 1634 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccccc1 1626a_100000751335_100000210462 [0,1,0,0,0,0|1,0,0]=2 1635 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccccn1 240690a_100000751335_100000740811 [0,1,0,0,0,0|2,0,0]=3 1636 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1cccnc1 240690a_100000751335_100000735890 [0,1,0,0,0,0|2,0,0]=3 1637 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccncc1 240690a_100000751335_100000682801 [0,1,0,0,0,0|2,0,0]=3 1638 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 1626a_100000751335_100000185753 [0,1,0,0,0,0|1,0,2]=4 1639 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 240690a_100000751335_100000185753 [0,1,0,0,0,0|1,0,2]=4 1640 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 527a_100000751335_100000185753 [0,1,0,0,0,0|1,0,2]=4 1641 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 1626a_100000751335_100000186222 [0,1,0,0,0,0|2,0,1]=4 1642 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 240690a_100000751335_100000186222 [0,1,0,0,0,0|2,0,1]=4 1643 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 527a_100000751335_100000186222 [0,1,0,0,0,0|2,0,1]=4 1644 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 1626a_100000751335_100000211596 [0,1,0,0,0,0|2,0,1]=4 1645 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 240690a_100000751335_100000211596 [0,1,0,0,0,0|2,0,1]=4 1646 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 527a_100000751335_100000211596 [0,1,0,0,0,0|2,0,1]=4 1647 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 2708a_100015324214_100000751335 [0,1,0,0,0,0|2,0,1]=4 1648 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 273464a_100015324214_100000751335 [0,1,0,0,0,0|2,0,1]=4 1649 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 512a_100000751335_100015324214 [0,1,0,0,0,0|2,0,1]=4 1650 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 512a_100015324214_100000751335 [0,1,0,0,0,0|2,0,1]=4 1651 B16R1.22556 CC(C)(O)CNC(=O)NNc1ccccc1 512a_100000751335_100015195140 [0,1,0,0,0,0|3,0,0]=4 1652 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccc1 11a_100000731000_100000210462 [0,1,0,0,0,0|2,0,0]=3 1653 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccc1 1626a_100000731000_100000210462 [0,1,0,0,0,0|2,0,0]=3 1654 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccn1 11a_100000731000_100000740811 [0,1,0,0,0,0|3,0,0]=4 1655 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccn1 240690a_100000731000_100000740811 [0,1,0,0,0,0|3,0,0]=4 1656 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1cccnc1 11a_100000731000_100000735890 [0,1,0,0,0,0|3,0,0]=4 1657 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1cccnc1 240690a_100000731000_100000735890 [0,1,0,0,0,0|3,0,0]=4 1658 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccncc1 240690a_100000731000_100000682801 [0,1,0,0,0,0|3,0,0]=4 1659 B16R1.22556 CS(=O)(=O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731031 [0,1,0,0,0,0|3,0,0]=4 1660 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000085578 [0,1,0,0,0,0|2,0,0]=3 1661 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000085578 [0,1,0,0,0,0|3,0,0]=4 1662 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000085578 [0,1,0,0,0,0|3,0,0]=4 1663 B16R1.22556 C[N+](C)(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000085578 [0,1,0,0,0,0|3,0,0]=4 1664 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_200000733723 [0,1,0,0,0,0|1,1,0]=3 1665 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_200000733723 [0,1,0,0,0,0|2,1,0]=4 1666 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_200000733723 [0,1,0,0,0,0|2,1,0]=4 1667 B16R1.22556 C[Si](C)(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_200000733723 [0,1,0,0,0,0|2,1,0]=4 1668 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccc1 11a_102516607284_100000210462 [0,1,0,0,0,0|1,1,0]=3 1669 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccc1 1626a_102516607284_100000210462 [0,1,0,0,0,0|1,1,0]=3 1670 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccn1 11a_102516607284_100000740811 [0,1,0,0,0,0|2,1,0]=4 1671 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccn1 240690a_102516607284_100000740811 [0,1,0,0,0,0|2,1,0]=4 1672 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1cccnc1 11a_102516607284_100000735890 [0,1,0,0,0,0|2,1,0]=4 1673 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1cccnc1 240690a_102516607284_100000735890 [0,1,0,0,0,0|2,1,0]=4 1674 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccncc1 240690a_102516607284_100000682801 [0,1,0,0,0,0|2,1,0]=4 1675 B16R1.22556 O=C(C=Cc1ccccc1)CCC(F)(F)F 1458a_100000210462_100011219754 [0,1,0,0,0,0|3,0,0]=4 1676 B16R1.22556 O=C(C=Cc1ccccc1)NCC(F)(F)F 11a_100000717047_100000210462 [0,1,0,0,0,0|3,0,0]=4 1677 B16R1.22556 O=C(C=Cc1ccccc1)NCC(F)(F)F 1626a_100000717047_100000210462 [0,1,0,0,0,0|3,0,0]=4 1678 B16R2.333 CC(C)Nc1c(ccc2c1cccc2)Br 34a_100009817101_100000210206 [0,0,0,1,0,0|3,0,0]=4 1679 B16R2.333 CC(C)Nc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210206 [0,0,0,1,0,0|3,0,0]=4 1680 B16R2.333 CC(C)Nc1c(ccc2c1cccc2)O 34a_100000007056_100000210206 [0,0,0,1,0,0|2,0,1]=4 1681 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)Br 34a_100009996032_100000210206 [0,0,0,1,0,0|3,0,0]=4 1682 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)Br 7a_100009996032_100000210206 [0,0,0,1,0,0|3,0,0]=4 1683 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)N 34a_100000007060_100000210206 [0,0,0,1,0,0|3,0,0]=4 1684 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)Br 62a_100000210206_100010090040 [0,0,0,1,0,0|3,0,0]=4 1685 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)Br 62a_100010090040_100000210206 [0,0,0,1,0,0|3,0,0]=4 1686 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)N 62a_100000210206_100000705303 [0,0,0,1,0,0|3,0,0]=4 1687 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)N 62a_100000705303_100000210206 [0,0,0,1,0,0|3,0,0]=4 1688 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)O 62a_100000210206_100000183829 [0,0,0,1,0,0|2,0,1]=4 1689 B16R2.333 CN(C)Cc1c(ccc2c1cccc2)Br 270004a_100102631434_100010090029 [0,0,0,1,0,0|3,0,0]=4 1690 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 2230a_100102631434_100000689653 [0,0,0,1,0,0|3,0,0]=4 1691 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 269982a_100102631434_100000689653 [0,0,0,1,0,0|3,0,0]=4 1692 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 270004a_100102631434_100011361466 [0,0,0,1,0,0|3,0,0]=4 1693 B16R2.333 Cc1ccc2ccccc2c1NC(C)C 34a_100000688109_100000210206 [0,0,0,1,0,0|3,0,0]=4 1694 B16R2.333 Cc1ccc2ccccc2c1OC(C)C 34a_100000039261_100000210206 [0,0,0,1,0,0|3,0,0]=4 1695 B16R2.333 Cc1ccc2ccccc2c1OC(C)C 7a_100000039261_100000210206 [0,0,0,1,0,0|3,0,0]=4 1696 B16R2.333 Cc1ccc2ccccc2c1SC(C)C 62a_100000210206_100000759710 [0,0,0,1,0,0|3,0,0]=4 1697 B16R2.333 Cc1ccc2ccccc2c1SC(C)C 62a_100000759710_100000210206 [0,0,0,1,0,0|3,0,0]=4 1698 B16R2.477 C=C(C)COc1ccc2ccccc2c1 34a_100000185828_100000748629 [0,0,0,1,0,0|1,0,2]=4 1699 B16R2.477 C=C(C)COc1ccc2ccccc2c1 7a_100000185828_100000748629 [0,0,0,1,0,0|1,0,2]=4 1700 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,0,0,1,0,0|2,0,1]=4 1701 B16R2.477 CC(C)C=Cc1ccc2ccccc2c1 271570a_100016257149_100000233703 [0,0,0,1,0,0|2,0,1]=4 1702 B16R2.477 CC(C)C=Cc1ccc2ccccc2n1 271570a_100016257149_100011291633 [0,0,0,1,0,0|2,0,1]=4 1703 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,0,0,1,0,0|2,0,0]=3 1704 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,0,0,1,0,0|2,0,0]=3 1705 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [0,0,0,1,0,0|2,0,0]=3 1706 B16R2.477 CC(C)CNc1ccc2cccnc2c1 34a_100102887122_100000210624 [0,0,0,1,0,0|3,0,0]=4 1707 B16R2.477 CC(C)CNc1ccc2cccnc2n1 27a_100000210953_100000075685 [0,0,0,1,0,0|3,0,0]=4 1708 B16R2.477 CC(C)CNc1ccc2ccncc2n1 27a_100000210953_100000020162 [0,0,0,1,0,0|3,0,0]=4 1709 B16R2.477 CC(C)CNc1ccc2cnccc2c1 34a_100000039641_100000210624 [0,0,0,1,0,0|3,0,0]=4 1710 B16R2.477 CC(C)CNc1ccc2ncccc2c1 34a_100011198106_100000210624 [0,0,0,1,0,0|3,0,0]=4 1711 B16R2.477 CC(C)CNc1ccc2ncccc2n1 27a_100000210953_100000073381 [0,0,0,1,0,0|3,0,0]=4 1712 B16R2.477 CC(C)CNc1cnc2ccccc2n1 27a_100000210953_100000756483 [0,0,0,1,0,0|3,0,0]=4 1713 B16R2.477 CC(C)CNc1ncc2ccccc2n1 27a_100000210953_100000097389 [0,0,0,1,0,0|3,0,0]=4 1714 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [0,0,0,1,0,0|1,0,0]=2 1715 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [0,0,0,1,0,0|1,0,0]=2 1716 B16R2.477 CC(C)COc1ccc2cccnc2c1 34a_100011216045_100000210624 [0,0,0,1,0,0|2,0,0]=3 1717 B16R2.477 CC(C)COc1ccc2ccncc2c1 7a_100000752006_100000210760 [0,0,0,1,0,0|2,0,0]=3 1718 B16R2.477 CC(C)COc1ccc2cnccc2c1 34a_100000046372_100000210624 [0,0,0,1,0,0|2,0,0]=3 1719 B16R2.477 CC(C)COc1ccc2cnccc2c1 7a_100000046372_100000210760 [0,0,0,1,0,0|2,0,0]=3 1720 B16R2.477 CC(C)COc1ccc2ncccc2c1 34a_100011215586_100000210624 [0,0,0,1,0,0|2,0,0]=3 1721 B16R2.477 CC(C)COc1ccc2ncccc2c1 7a_100011215586_100000210760 [0,0,0,1,0,0|2,0,0]=3 1722 B16R2.477 CC(C)COc1ccc2nccnc2c1 34a_100000694412_100000210624 [0,0,0,1,0,0|3,0,0]=4 1723 B16R2.477 CC(C)COc1cnc2ccccc2c1 34a_100011934006_100000210624 [0,0,0,1,0,0|2,0,0]=3 1724 B16R2.477 CC(C)COc1cnc2ccccc2c1 7a_100011934006_100000210760 [0,0,0,1,0,0|2,0,0]=3 1725 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100000210624_100000047361 [0,0,0,1,0,0|2,1,0]=4 1726 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100009816522_100000210760 [0,0,0,1,0,0|2,1,0]=4 1727 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [0,0,0,1,0,0|1,1,0]=3 1728 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100000210624_100011291633 [0,0,0,1,0,0|1,1,0]=3 1729 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000210760 [0,0,0,1,0,0|1,1,0]=3 1730 B16R2.477 CC(C)CSc1ccc2cccnc2c1 62a_100000210624_100009816655 [0,0,0,1,0,0|2,1,0]=4 1731 B16R2.477 CC(C)CSc1ccc2cccnc2n1 62a_100000075685_100000210760 [0,0,0,1,0,0|2,1,0]=4 1732 B16R2.477 CC(C)CSc1ccc2cccnc2n1 62a_100000210624_100000075685 [0,0,0,1,0,0|2,1,0]=4 1733 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000210624_100000686496 [0,0,0,1,0,0|2,1,0]=4 1734 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000686496_100000210760 [0,0,0,1,0,0|2,1,0]=4 1735 B16R2.477 CC(C)CSc1ccc2ccncc2n1 62a_100000210624_100000020162 [0,0,0,1,0,0|2,1,0]=4 1736 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100000210624_100009816743 [0,0,0,1,0,0|2,1,0]=4 1737 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100009816743_100000210760 [0,0,0,1,0,0|2,1,0]=4 1738 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100000210624_100011215947 [0,0,0,1,0,0|2,1,0]=4 1739 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100011215947_100000210760 [0,0,0,1,0,0|2,1,0]=4 1740 B16R2.477 CC(C)CSc1ccc2ncccc2n1 62a_100000210624_100000073381 [0,0,0,1,0,0|2,1,0]=4 1741 B16R2.477 CC(C)CSc1cnc2ccccc2c1 62a_100000210624_100000737414 [0,0,0,1,0,0|2,1,0]=4 1742 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000210624_100000756483 [0,0,0,1,0,0|2,1,0]=4 1743 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000756483_100000210760 [0,0,0,1,0,0|2,1,0]=4 1744 B16R2.477 CC(C)CSc1ncc2ccccc2n1 62a_100000210624_100000097389 [0,0,0,1,0,0|2,1,0]=4 1745 B16R2.477 CC(C)NCc1ccc2ccccc2c1 207a_100138425928_100000211584 [0,0,0,1,0,0|3,0,0]=4 1746 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000210206 [0,0,0,1,0,0|3,0,0]=4 1747 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100138425928_100011216711 [0,0,0,1,0,0|3,0,0]=4 1748 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210206 [0,0,0,1,0,0|3,0,0]=4 1749 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100138425928_100011216711 [0,0,0,1,0,0|3,0,0]=4 1750 B16R2.477 CC(C)NCc1ccc2ccccc2n1 207a_100138425928_100000759686 [0,0,0,1,0,0|3,0,0]=4 1751 B16R2.477 CC(C)NCc1ccc2ccccc2n1 2230a_100138425928_100000737579 [0,0,0,1,0,0|3,0,0]=4 1752 B16R2.477 CC(C)NCc1ccc2ccccc2n1 34a_100138425928_100000737579 [0,0,0,1,0,0|3,0,0]=4 1753 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100000212225_100011216711 [0,0,0,1,0,0|3,0,0]=4 1754 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210206 [0,0,0,1,0,0|3,0,0]=4 1755 B16R2.477 CC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210206 [0,0,0,1,0,0|3,0,0]=4 1756 B16R2.477 CC(C)OCc1ccc2ccccc2n1 34a_100000212225_100000737579 [0,0,0,1,0,0|3,0,0]=4 1757 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100000210206_100011216711 [0,0,0,1,0,0|3,0,0]=4 1758 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000210206 [0,0,0,1,0,0|3,0,0]=4 1759 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000210206_100000737579 [0,0,0,1,0,0|3,0,0]=4 1760 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000210206 [0,0,0,1,0,0|3,0,0]=4 1761 B16R2.477 CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218427 [0,0,0,1,0,0|3,0,0]=4 1762 B16R2.477 CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218427 [0,0,0,1,0,0|3,0,0]=4 1763 B16R2.477 CC(O)CNc1ccc2ccccc2n1 27a_100000210904_100011291633 [0,0,0,1,0,0|3,0,0]=4 1764 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [0,0,0,1,0,0|2,0,0]=3 1765 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [0,0,0,1,0,0|2,0,0]=3 1766 B16R2.477 CC(O)COc1ccc2cccnc2c1 34a_100011216045_100011218427 [0,0,0,1,0,0|3,0,0]=4 1767 B16R2.477 CC(O)COc1ccc2ccncc2c1 7a_100000752006_100011218427 [0,0,0,1,0,0|3,0,0]=4 1768 B16R2.477 CC(O)COc1ccc2cnccc2c1 34a_100000046372_100011218427 [0,0,0,1,0,0|3,0,0]=4 1769 B16R2.477 CC(O)COc1ccc2cnccc2c1 7a_100000046372_100011218427 [0,0,0,1,0,0|3,0,0]=4 1770 B16R2.477 CC(O)COc1ccc2ncccc2c1 34a_100011215586_100011218427 [0,0,0,1,0,0|3,0,0]=4 1771 B16R2.477 CC(O)COc1ccc2ncccc2c1 7a_100011215586_100011218427 [0,0,0,1,0,0|3,0,0]=4 1772 B16R2.477 CC(O)COc1cnc2ccccc2c1 34a_100011934006_100011218427 [0,0,0,1,0,0|3,0,0]=4 1773 B16R2.477 CC(O)COc1cnc2ccccc2c1 7a_100011934006_100011218427 [0,0,0,1,0,0|3,0,0]=4 1774 B16R2.477 CC(O)CSc1ccc2ccccc2c1 62a_100011218427_100000233703 [0,0,0,1,0,0|2,1,0]=4 1775 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011218427_100011291633 [0,0,0,1,0,0|2,1,0]=4 1776 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218427 [0,0,0,1,0,0|2,1,0]=4 1777 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009817552 [0,0,0,1,0,0|3,0,0]=4 1778 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009817552 [0,0,0,1,0,0|3,0,0]=4 1779 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [0,0,0,1,0,0|2,0,0]=3 1780 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [0,0,0,1,0,0|2,0,0]=3 1781 B16R2.477 C[C@@H](O)COc1ccc2cccnc2c1 34a_100011216045_100009817552 [0,0,0,1,0,0|3,0,0]=4 1782 B16R2.477 C[C@@H](O)COc1ccc2ccncc2c1 7a_100000752006_100009817552 [0,0,0,1,0,0|3,0,0]=4 1783 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 34a_100000046372_100009817552 [0,0,0,1,0,0|3,0,0]=4 1784 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 7a_100000046372_100009817552 [0,0,0,1,0,0|3,0,0]=4 1785 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 34a_100011215586_100009817552 [0,0,0,1,0,0|3,0,0]=4 1786 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 7a_100011215586_100009817552 [0,0,0,1,0,0|3,0,0]=4 1787 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 34a_100011934006_100009817552 [0,0,0,1,0,0|3,0,0]=4 1788 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 7a_100011934006_100009817552 [0,0,0,1,0,0|3,0,0]=4 1789 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2c1 62a_100009817552_100000233703 [0,0,0,1,0,0|2,1,0]=4 1790 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100009817552_100011291633 [0,0,0,1,0,0|2,1,0]=4 1791 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100011291633_100009817552 [0,0,0,1,0,0|2,1,0]=4 1792 B16R2.477 FC(F)COc1ccc2ccccc2c1 34a_100000185828_100011934356 [0,0,0,1,0,0|3,0,0]=4 1793 B16R2.477 FC(F)COc1ccc2ccccc2c1 7a_100000185828_100011934356 [0,0,0,1,0,0|3,0,0]=4 1794 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,0,0,1,0,0|2,0,1]=4 1795 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100000210462 [0,0,0,1,0,0|2,0,0]=3 1796 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000210462 [0,0,0,1,0,0|2,0,0]=3 1797 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000740811 [0,0,0,1,0,0|3,0,0]=4 1798 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@H]2F 11a_100025746932_100000740811 [0,0,0,1,0,0|3,0,0]=4 1799 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000740811 [0,0,0,1,0,0|3,0,0]=4 1800 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000735890 [0,0,0,1,0,0|3,0,0]=4 1801 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@H]2F 11a_100025746932_100000735890 [0,0,0,1,0,0|3,0,0]=4 1802 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000735890 [0,0,0,1,0,0|3,0,0]=4 1803 B16R2.3193 O=C(C=Cc1ccncc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000682801 [0,0,0,1,0,0|3,0,0]=4 1804 B16R2.3193 O=C(C=Cc1ccncc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000682801 [0,0,0,1,0,0|3,0,0]=4 1805 B16R2.3322 CC1CC(C1)C(=O)CCc2ccccc2 1458a_100000686124_100000765856 [0,0,0,1,0,0|1,0,2]=4 1806 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 11a_100015324214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1807 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 1626a_100015324214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1808 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 240690a_100015324214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1809 B16R2.3322 CC1CC(C1)C(=O)NCc2ccccc2 527a_100015324214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1810 B16R2.3322 CC1CC(C1)C(=O)NNc2ccccc2 22a_100015195140_100000686124 [0,0,0,1,0,0|3,0,0]=4 1811 B16R2.3322 CC1CN(C1)C(=O)C#Cc2ccccc2 240690a_100000702820_100000736102 [0,0,0,1,0,0|1,0,2]=4 1812 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccc2 11a_100000702820_100000210462 [0,0,0,1,0,0|1,0,0]=2 1813 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccn2 11a_100000702820_100000740811 [0,0,0,1,0,0|2,0,0]=3 1814 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccn2 240690a_100000702820_100000740811 [0,0,0,1,0,0|2,0,0]=3 1815 B16R2.3322 CC1CN(C1)C(=O)C=Cc2cccnc2 11a_100000702820_100000735890 [0,0,0,1,0,0|2,0,0]=3 1816 B16R2.3322 CC1CN(C1)C(=O)C=Cc2cccnc2 240690a_100000702820_100000735890 [0,0,0,1,0,0|2,0,0]=3 1817 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccncc2 240690a_100000702820_100000682801 [0,0,0,1,0,0|2,0,0]=3 1818 B16R2.3322 CC1CN(C1)C(=O)CCc2ccccc2 11a_100000702820_100000185753 [0,0,0,1,0,0|1,0,2]=4 1819 B16R2.3322 CC1CN(C1)C(=O)CCc2ccccc2 240690a_100000702820_100000185753 [0,0,0,1,0,0|1,0,2]=4 1820 B16R2.3322 CC1CN(C1)C(=O)CCc2ccccc2 527a_100000702820_100000185753 [0,0,0,1,0,0|1,0,2]=4 1821 B16R2.3322 CC1CN(C1)C(=O)COc2ccccc2 11a_100000702820_100000186222 [0,0,0,1,0,0|2,0,1]=4 1822 B16R2.3322 CC1CN(C1)C(=O)COc2ccccc2 240690a_100000702820_100000186222 [0,0,0,1,0,0|2,0,1]=4 1823 B16R2.3322 CC1CN(C1)C(=O)COc2ccccc2 527a_100000702820_100000186222 [0,0,0,1,0,0|2,0,1]=4 1824 B16R2.3322 CC1CN(C1)C(=O)CSc2ccccc2 11a_100000702820_100000211596 [0,0,0,1,0,0|2,0,1]=4 1825 B16R2.3322 CC1CN(C1)C(=O)CSc2ccccc2 240690a_100000702820_100000211596 [0,0,0,1,0,0|2,0,1]=4 1826 B16R2.3322 CC1CN(C1)C(=O)CSc2ccccc2 527a_100000702820_100000211596 [0,0,0,1,0,0|2,0,1]=4 1827 B16R2.3322 CC1CN(C1)C(=O)NCc2ccccc2 2708a_100015324214_100000702820 [0,0,0,1,0,0|2,0,1]=4 1828 B16R2.3322 CC1CN(C1)C(=O)NCc2ccccc2 273464a_100015324214_100000702820 [0,0,0,1,0,0|2,0,1]=4 1829 B16R2.3322 O=C(C=Cc1ccccc1)N2CC(C2)F 11a_100000690557_100000210462 [0,0,0,1,0,0|2,0,0]=3 1830 B16R2.3322 O=C(C=Cc1ccccc1)N2CC(C2)O 11a_100000749847_100000210462 [0,0,0,1,0,0|2,0,0]=3 1831 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)F 11a_100000690557_100000740811 [0,0,0,1,0,0|3,0,0]=4 1832 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)F 240690a_100000690557_100000740811 [0,0,0,1,0,0|3,0,0]=4 1833 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)O 11a_100000749847_100000740811 [0,0,0,1,0,0|3,0,0]=4 1834 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)O 240690a_100000749847_100000740811 [0,0,0,1,0,0|3,0,0]=4 1835 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)F 11a_100000690557_100000735890 [0,0,0,1,0,0|3,0,0]=4 1836 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)F 240690a_100000690557_100000735890 [0,0,0,1,0,0|3,0,0]=4 1837 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)O 11a_100000749847_100000735890 [0,0,0,1,0,0|3,0,0]=4 1838 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)O 240690a_100000749847_100000735890 [0,0,0,1,0,0|3,0,0]=4 1839 B16R2.3322 O=C(C=Cc1ccncc1)N2CC(C2)F 240690a_100000690557_100000682801 [0,0,0,1,0,0|3,0,0]=4 1840 B16R2.3322 O=C(C=Cc1ccncc1)N2CC(C2)O 240690a_100000749847_100000682801 [0,0,0,1,0,0|3,0,0]=4 1841 B16R2.44147 CC1(C[C@@H]1C(=O)CCc2ccccc2)C 1458a_100000692687_100000765856 [0,0,0,1,0,0|1,0,2]=4 1842 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 11a_100015324214_100000692687 [0,0,0,1,0,0|2,0,1]=4 1843 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 1626a_100015324214_100000692687 [0,0,0,1,0,0|2,0,1]=4 1844 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 240690a_100015324214_100000692687 [0,0,0,1,0,0|2,0,1]=4 1845 B16R2.44147 CC1(C[C@@H]1C(=O)NCc2ccccc2)C 527a_100015324214_100000692687 [0,0,0,1,0,0|2,0,1]=4 1846 B16R2.44147 CC1(C[C@@H]1C(=O)NNc2ccccc2)C 22a_100015195140_100000692687 [0,0,0,1,0,0|3,0,0]=4 1847 B16R2.44153 CC(=NNC1CC1)C=Cc2ccccc2 4a_100000701032_100000204604 [0,0,0,1,0,0|3,0,0]=4 1848 B16R2.44153 O=C(C#Cc1ccccc1)CCC2CC2 1458a_100000736102_100000694398 [0,0,0,1,0,0|1,0,2]=4 1849 B16R2.44153 O=C(C#Cc1ccccc1)NCC2CC2 240690a_100000735609_100000736102 [0,0,0,1,0,0|1,0,2]=4 1850 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CC2 1458a_100000210462_100000694398 [0,0,0,1,0,0|1,0,0]=2 1851 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CO2 1458a_100000210462_100000732470 [0,0,0,1,0,0|2,0,0]=3 1852 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 11a_100000735609_100000210462 [0,0,0,1,0,0|1,0,0]=2 1853 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 1626a_100000735609_100000210462 [0,0,0,1,0,0|1,0,0]=2 1854 B16R2.44153 O=C(C=Cc1ccccc1)NNC2CC2 22a_100000701032_100000210462 [0,0,0,1,0,0|2,0,0]=3 1855 B16R2.44153 O=C(C=Cc1ccccn1)CCC2CC2 1458a_100000740811_100000694398 [0,0,0,1,0,0|2,0,0]=3 1856 B16R2.44153 O=C(C=Cc1ccccn1)CCC2CO2 1458a_100000740811_100000732470 [0,0,0,1,0,0|3,0,0]=4 1857 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 11a_100000735609_100000740811 [0,0,0,1,0,0|2,0,0]=3 1858 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 240690a_100000735609_100000740811 [0,0,0,1,0,0|2,0,0]=3 1859 B16R2.44153 O=C(C=Cc1ccccn1)NNC2CC2 22a_100000701032_100000740811 [0,0,0,1,0,0|3,0,0]=4 1860 B16R2.44153 O=C(C=Cc1cccnc1)CCC2CC2 1458a_100000735890_100000694398 [0,0,0,1,0,0|2,0,0]=3 1861 B16R2.44153 O=C(C=Cc1cccnc1)CCC2CO2 1458a_100000735890_100000732470 [0,0,0,1,0,0|3,0,0]=4 1862 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 11a_100000735609_100000735890 [0,0,0,1,0,0|2,0,0]=3 1863 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 240690a_100000735609_100000735890 [0,0,0,1,0,0|2,0,0]=3 1864 B16R2.44153 O=C(C=Cc1cccnc1)NNC2CC2 22a_100000701032_100000735890 [0,0,0,1,0,0|3,0,0]=4 1865 B16R2.44153 O=C(C=Cc1ccncc1)CCC2CC2 1458a_100000682801_100000694398 [0,0,0,1,0,0|2,0,0]=3 1866 B16R2.44153 O=C(C=Cc1ccncc1)CCC2CO2 1458a_100000682801_100000732470 [0,0,0,1,0,0|3,0,0]=4 1867 B16R2.44153 O=C(C=Cc1ccncc1)NCC2CC2 240690a_100000735609_100000682801 [0,0,0,1,0,0|2,0,0]=3 1868 B16R2.44153 O=C(C=Cc1ccncc1)NNC2CC2 22a_100000701032_100000682801 [0,0,0,1,0,0|3,0,0]=4 1869 B16R2.44153 O=C(CCC1CC1)COc2ccccc2 1458a_100000186222_100000694398 [0,0,0,1,0,0|2,0,1]=4 1870 B16R2.44153 O=C(CCC1CC1)CSc2ccccc2 1458a_100000211596_100000694398 [0,0,0,1,0,0|2,0,1]=4 1871 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 11a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 1872 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 1626a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 1873 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 240690a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 1874 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 527a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 1875 B16R2.44153 O=C(CCC1CC1)NNc2ccccc2 22a_100015195140_100000756386 [0,0,0,1,0,0|3,0,0]=4 1876 B16R2.44153 O=C(CCc1ccccc1)CCC2CC2 1458a_100000185753_100000694398 [0,0,0,1,0,0|1,0,2]=4 1877 B16R2.44153 O=C(CCc1ccccc1)CCC2CC2 1458a_100000756386_100000765856 [0,0,0,1,0,0|1,0,2]=4 1878 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 11a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 1879 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 1626a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 1880 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 240690a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 1881 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 527a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 1882 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 11a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 1883 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 1626a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 1884 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 240690a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 1885 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 527a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 1886 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 11a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 1887 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 1626a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 1888 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 240690a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 1889 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 527a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 1890 B16R2.44153 O=C(NCC1CC1)NNc2ccccc2 273464a_100000735609_100015195140 [0,0,0,1,0,0|3,0,0]=4 1891 B16R2.44153 O=C(NCC1CC1)NNc2ccccc2 512a_100000735609_100015195140 [0,0,0,1,0,0|3,0,0]=4 1892 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 2708a_100000735609_100015324214 [0,0,0,1,0,0|2,0,1]=4 1893 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 2708a_100015324214_100000735609 [0,0,0,1,0,0|2,0,1]=4 1894 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 273464a_100000735609_100015324214 [0,0,0,1,0,0|2,0,1]=4 1895 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 273464a_100015324214_100000735609 [0,0,0,1,0,0|2,0,1]=4 1896 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 512a_100000735609_100015324214 [0,0,0,1,0,0|2,0,1]=4 1897 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 512a_100015324214_100000735609 [0,0,0,1,0,0|2,0,1]=4 1898 B16R2.249076 CC(C)CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210312 [0,0,0,1,0,0|1,0,2]=4 1899 B16R2.249076 CC(C)CNC(=O)C1Cc2c1cccc2 11a_100000210953_200000238571 [0,0,0,1,0,0|1,0,2]=4 1900 B16R2.249076 CC(C)CNC(=O)C1Cc2c1cccc2 1626a_100000210953_200000238571 [0,0,0,1,0,0|1,0,2]=4 1901 B16R2.249076 CC(C)CNC(=O)C1Cc2c1cccc2 240690a_100000210953_200000238571 [0,0,0,1,0,0|1,0,2]=4 1902 B16R2.249076 CC(C)CNC(=O)C1Cc2c1cccc2 527a_100000210953_200000238571 [0,0,0,1,0,0|1,0,2]=4 1903 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 34a_200025717232_100000210206 [0,0,0,0,1,0|3,0,0]=4 1904 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 7a_200025717232_100000210206 [0,0,0,0,1,0|3,0,0]=4 1905 B14R1.423 CC(C)C=CC(=O)Cc1ccccc1 1458a_100016268746_100015291786 [0,0,0,0,1,0|1,0,2]=4 1906 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 11a_100000106764_100016268746 [0,0,0,0,1,0|2,0,1]=4 1907 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 1626a_100000106764_100016268746 [0,0,0,0,1,0|2,0,1]=4 1908 B14R1.423 CC(C)C=CC(=O)Nc1ccccc1 22a_100000106764_100016268746 [0,0,0,0,1,0|2,0,1]=4 1909 B14R1.423 CC(C)CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210312 [0,0,0,0,1,0|2,0,1]=4 1910 B14R1.423 CC(C)CCC(=O)Cc1ccccc1 1458a_100000181311_100015291786 [0,0,0,0,1,0|1,0,1]=3 1911 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000181311_100000721315 [0,0,0,0,1,0|2,0,1]=4 1912 B14R1.423 CC(C)CCC(=O)Cc1ccccn1 1458a_100000233486_100000210312 [0,0,0,0,1,0|2,0,1]=4 1913 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000181311_100000733263 [0,0,0,0,1,0|2,0,1]=4 1914 B14R1.423 CC(C)CCC(=O)Cc1cccnc1 1458a_100000737805_100000210312 [0,0,0,0,1,0|2,0,1]=4 1915 B14R1.423 CC(C)CCC(=O)Cc1ccncc1 1458a_100000181311_100000705612 [0,0,0,0,1,0|2,0,1]=4 1916 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000181311 [0,0,0,0,1,0|2,0,0]=3 1917 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000181311 [0,0,0,0,1,0|2,0,0]=3 1918 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000181311 [0,0,0,0,1,0|2,0,0]=3 1919 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000181311 [0,0,0,0,1,0|2,0,0]=3 1920 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 11a_100000210953_200000086051 [0,0,0,0,1,0|2,0,1]=4 1921 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 240690a_100000210953_200000086051 [0,0,0,0,1,0|2,0,1]=4 1922 B14R1.423 CC(C)CNC(=O)C[n+]1ccccc1 527a_100000210953_200000086051 [0,0,0,0,1,0|2,0,1]=4 1923 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 11a_100000210953_100000233486 [0,0,0,0,1,0|2,0,1]=4 1924 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 11a_100000210953_100000737805 [0,0,0,0,1,0|2,0,1]=4 1925 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 240690a_100000210953_100000737805 [0,0,0,0,1,0|2,0,1]=4 1926 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 527a_100000210953_100000737805 [0,0,0,0,1,0|2,0,1]=4 1927 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 11a_100000210953_100011201483 [0,0,0,0,1,0|2,0,1]=4 1928 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 240690a_100000210953_100011201483 [0,0,0,0,1,0|2,0,1]=4 1929 B14R1.423 CC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210953 [0,0,0,0,1,0|2,0,0]=3 1930 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000210257_200011218536 [0,0,0,0,1,0|1,0,2]=4 1931 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000748627_100000210624 [0,0,0,0,1,0|1,0,2]=4 1932 B14R1.423 CC(C)COC(C)Cc1ccccc1 7a_100000748627_100000210760 [0,0,0,0,1,0|1,0,2]=4 1933 B14R1.423 CC(C)NCC(=O)Cc1ccccc1 2230a_100138425928_100000233483 [0,0,0,0,1,0|2,0,1]=4 1934 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 2230a_100138425928_100000182850 [0,0,0,0,1,0|3,0,0]=4 1935 B14R1.423 CC(C)NCC(=O)Nc1ccccc1 34a_100138425928_100000182850 [0,0,0,0,1,0|3,0,0]=4 1936 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 2230a_100138425928_100009813826 [0,0,0,0,1,0|3,0,0]=4 1937 B14R1.423 CC(C)NCC(=O)Oc1ccccc1 34a_100138425928_100009813826 [0,0,0,0,1,0|3,0,0]=4 1938 B14R1.423 CC(C)OCC(=O)Cc1ccccc1 1458a_100000745533_100015291786 [0,0,0,0,1,0|2,0,1]=4 1939 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 11a_100000106764_100000745533 [0,0,0,0,1,0|3,0,0]=4 1940 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 1626a_100000106764_100000745533 [0,0,0,0,1,0|3,0,0]=4 1941 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 22a_100000106764_100000745533 [0,0,0,0,1,0|3,0,0]=4 1942 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000212225_100000182850 [0,0,0,0,1,0|3,0,0]=4 1943 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 34a_100000246334_100000210206 [0,0,0,0,1,0|3,0,0]=4 1944 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 527a_100000106764_100000745533 [0,0,0,0,1,0|3,0,0]=4 1945 B14R1.423 CC(C)OCC(=O)Oc1ccccc1 34a_100000212225_100009813826 [0,0,0,0,1,0|3,0,0]=4 1946 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 1458a_100000241585_100015291786 [0,0,0,0,1,0|2,0,1]=4 1947 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000210206_100000233483 [0,0,0,0,1,0|2,0,1]=4 1948 B14R1.423 CC(C)SCC(=O)Cc1ccccc1 62a_100000233483_100000210206 [0,0,0,0,1,0|2,0,1]=4 1949 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 11a_100000106764_100000241585 [0,0,0,0,1,0|3,0,0]=4 1950 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 1626a_100000106764_100000241585 [0,0,0,0,1,0|3,0,0]=4 1951 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 22a_100000106764_100000241585 [0,0,0,0,1,0|3,0,0]=4 1952 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 527a_100000106764_100000241585 [0,0,0,0,1,0|3,0,0]=4 1953 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100000210206_100000182850 [0,0,0,0,1,0|3,0,0]=4 1954 B14R1.423 CC(C)SCC(=O)Nc1ccccc1 62a_100012148978_100000210206 [0,0,0,0,1,0|3,0,0]=4 1955 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100000210206_100009813826 [0,0,0,0,1,0|3,0,0]=4 1956 B14R1.423 CC(C)SCC(=O)Oc1ccccc1 62a_100009813826_100000210206 [0,0,0,0,1,0|3,0,0]=4 1957 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000718519 [0,0,0,0,1,0|3,0,0]=4 1958 B14R1.423 CC(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210904 [0,0,0,0,1,0|3,0,0]=4 1959 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000689311 [0,0,0,0,1,0|3,0,0]=4 1960 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 2230a_100102631434_100000242058 [0,0,0,0,1,0|3,0,0]=4 1961 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000689311 [0,0,0,0,1,0|3,0,0]=4 1962 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 269982a_100102631434_100000242058 [0,0,0,0,1,0|3,0,0]=4 1963 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000689311 [0,0,0,0,1,0|3,0,0]=4 1964 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 2230a_100102631434_200000035796 [0,0,0,0,1,0|3,0,0]=4 1965 B14R1.423 CN(C)CCC(=O)Oc1ccccc1 269982a_100102631434_200000035796 [0,0,0,0,1,0|3,0,0]=4 1966 B14R1.423 C[S+](C)CCC(=O)Cc1ccccc1 1458a_100009452791_100015291786 [0,0,0,0,1,0|2,0,1]=4 1967 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 11a_100000106764_100009452791 [0,0,0,0,1,0|3,0,0]=4 1968 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 1626a_100000106764_100009452791 [0,0,0,0,1,0|3,0,0]=4 1969 B14R1.423 C[S+](C)CCC(=O)Nc1ccccc1 22a_100000106764_100009452791 [0,0,0,0,1,0|3,0,0]=4 1970 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [0,0,0,0,1,0|0,0,2]=3 1971 B14R1.818 C=C(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748629 [0,0,0,0,1,0|1,0,2]=4 1972 B14R1.818 C=C(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748629 [0,0,0,0,1,0|1,0,2]=4 1973 B14R1.818 C=C(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748629 [0,0,0,0,1,0|1,0,2]=4 1974 B14R1.818 C=C(F)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009893438 [0,0,0,0,1,0|1,0,2]=4 1975 B14R1.818 CC(C)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000210624 [0,0,0,0,1,0|0,0,2]=3 1976 B14R1.818 CC(C)CC(=O)C#Cc1ccccn1 1458a_102125277312_100000210624 [0,0,0,0,1,0|1,0,2]=4 1977 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [0,0,0,0,1,0|0,0,0]=1 1978 B14R1.818 CC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000210624 [0,0,0,0,1,0|1,0,0]=2 1979 B14R1.818 CC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000210624 [0,0,0,0,1,0|1,0,0]=2 1980 B14R1.818 CC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000210624 [0,0,0,0,1,0|1,0,0]=2 1981 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000210624 [0,0,0,0,1,0|0,0,2]=3 1982 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000210554_100000765856 [0,0,0,0,1,0|0,0,2]=3 1983 B14R1.818 CC(C)CC(=O)CCc1ccccn1 1458a_100000210554_100015183660 [0,0,0,0,1,0|1,0,2]=4 1984 B14R1.818 CC(C)CC(=O)CCc1ccccn1 1458a_100015195070_100000210624 [0,0,0,0,1,0|1,0,2]=4 1985 B14R1.818 CC(C)CC(=O)CCc1cccnc1 1458a_100000198484_100000210624 [0,0,0,0,1,0|1,0,2]=4 1986 B14R1.818 CC(C)CC(=O)CCc1cccnc1 1458a_100000210554_200011713674 [0,0,0,0,1,0|1,0,2]=4 1987 B14R1.818 CC(C)CC(=O)CCc1ccncc1 1458a_100000210554_100000723409 [0,0,0,0,1,0|1,0,2]=4 1988 B14R1.818 CC(C)CC(=O)CCc1ccncc1 1458a_100011225043_100000210624 [0,0,0,0,1,0|1,0,2]=4 1989 B14R1.818 CC(C)CC(=O)COc1ccccc1 1458a_100000186222_100000210624 [0,0,0,0,1,0|1,0,1]=3 1990 B14R1.818 CC(C)CC(=O)COc1ccccn1 1458a_100102699861_100000210624 [0,0,0,0,1,0|2,0,1]=4 1991 B14R1.818 CC(C)CC(=O)COc1cccnc1 1458a_100015207166_100000210624 [0,0,0,0,1,0|2,0,1]=4 1992 B14R1.818 CC(C)CC(=O)CSc1ccccc1 1458a_100000211596_100000210624 [0,0,0,0,1,0|1,0,1]=3 1993 B14R1.818 CC(C)CC(=O)CSc1ccccn1 1458a_100000156281_100000210624 [0,0,0,0,1,0|2,0,1]=4 1994 B14R1.818 CC(C)CC(=O)CSc1ccncc1 1458a_100000211328_100000210624 [0,0,0,0,1,0|2,0,1]=4 1995 B14R1.818 CC(C)CC(=O)NCc1ccccc1 11a_100015324214_100000210554 [0,0,0,0,1,0|1,0,1]=3 1996 B14R1.818 CC(C)CC(=O)NCc1ccccc1 1626a_100015324214_100000210554 [0,0,0,0,1,0|1,0,1]=3 1997 B14R1.818 CC(C)CC(=O)NCc1ccccc1 240690a_100015324214_100000210554 [0,0,0,0,1,0|1,0,1]=3 1998 B14R1.818 CC(C)CC(=O)NCc1ccccc1 527a_100015324214_100000210554 [0,0,0,0,1,0|1,0,1]=3 1999 B14R1.818 CC(C)CC(=O)NCc1ccccn1 11a_100000210449_100000210554 [0,0,0,0,1,0|2,0,1]=4 2000 B14R1.818 CC(C)CC(=O)NCc1ccccn1 1626a_100000210449_100000210554 [0,0,0,0,1,0|2,0,1]=4 2001 B14R1.818 CC(C)CC(=O)NCc1ccccn1 240690a_100000210449_100000210554 [0,0,0,0,1,0|2,0,1]=4 2002 B14R1.818 CC(C)CC(=O)NCc1ccccn1 527a_100000210449_100000210554 [0,0,0,0,1,0|2,0,1]=4 2003 B14R1.818 CC(C)CC(=O)NCc1cccnc1 11a_100000210453_100000210554 [0,0,0,0,1,0|2,0,1]=4 2004 B14R1.818 CC(C)CC(=O)NCc1cccnc1 240690a_100000210453_100000210554 [0,0,0,0,1,0|2,0,1]=4 2005 B14R1.818 CC(C)CC(=O)NCc1cccnc1 527a_100000210453_100000210554 [0,0,0,0,1,0|2,0,1]=4 2006 B14R1.818 CC(C)CC(=O)NCc1ccncc1 11a_100000210450_100000210554 [0,0,0,0,1,0|2,0,1]=4 2007 B14R1.818 CC(C)CC(=O)NCc1ccncc1 1626a_100000210450_100000210554 [0,0,0,0,1,0|2,0,1]=4 2008 B14R1.818 CC(C)CC(=O)NCc1ccncc1 240690a_100000210450_100000210554 [0,0,0,0,1,0|2,0,1]=4 2009 B14R1.818 CC(C)CC(=O)NCc1ccncc1 527a_100000210450_100000210554 [0,0,0,0,1,0|2,0,1]=4 2010 B14R1.818 CC(C)CC(=O)NNc1ccccc1 22a_100015195140_100000210554 [0,0,0,0,1,0|2,0,0]=3 2011 B14R1.818 CC(C)CC(=O)NNc1ccccn1 22a_100000183288_100000210554 [0,0,0,0,1,0|3,0,0]=4 2012 B14R1.818 CC(C)CC(=O)NNc1cccnc1 22a_100000728903_100000210554 [0,0,0,0,1,0|3,0,0]=4 2013 B14R1.818 CC(C)CC(=O)NNc1ccncc1 22a_100000698918_100000210554 [0,0,0,0,1,0|3,0,0]=4 2014 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 240690a_100138425928_100000736102 [0,0,0,0,1,0|1,0,2]=4 2015 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [0,0,0,0,1,0|1,0,0]=2 2016 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [0,0,0,0,1,0|1,0,0]=2 2017 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 11a_100138425928_100000740811 [0,0,0,0,1,0|2,0,0]=3 2018 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 240690a_100138425928_100000740811 [0,0,0,0,1,0|2,0,0]=3 2019 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 11a_100138425928_100000735890 [0,0,0,0,1,0|2,0,0]=3 2020 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 240690a_100138425928_100000735890 [0,0,0,0,1,0|2,0,0]=3 2021 B14R1.818 CC(C)NC(=O)C=Cc1ccncc1 240690a_100138425928_100000682801 [0,0,0,0,1,0|2,0,0]=3 2022 B14R1.818 CC(C)NC(=O)CCc1ccccc1 11a_100138425928_100000185753 [0,0,0,0,1,0|1,0,2]=4 2023 B14R1.818 CC(C)NC(=O)CCc1ccccc1 1626a_100138425928_100000185753 [0,0,0,0,1,0|1,0,2]=4 2024 B14R1.818 CC(C)NC(=O)CCc1ccccc1 240690a_100138425928_100000185753 [0,0,0,0,1,0|1,0,2]=4 2025 B14R1.818 CC(C)NC(=O)CCc1ccccc1 527a_100138425928_100000185753 [0,0,0,0,1,0|1,0,2]=4 2026 B14R1.818 CC(C)NC(=O)CNc1ccccc1 34a_100000106764_100000183996 [0,0,0,0,1,0|2,0,1]=4 2027 B14R1.818 CC(C)NC(=O)COc1ccccc1 11a_100138425928_100000186222 [0,0,0,0,1,0|2,0,1]=4 2028 B14R1.818 CC(C)NC(=O)COc1ccccc1 1626a_100138425928_100000186222 [0,0,0,0,1,0|2,0,1]=4 2029 B14R1.818 CC(C)NC(=O)COc1ccccc1 240690a_100138425928_100000186222 [0,0,0,0,1,0|2,0,1]=4 2030 B14R1.818 CC(C)NC(=O)COc1ccccc1 34a_100000210340_100000183996 [0,0,0,0,1,0|2,0,1]=4 2031 B14R1.818 CC(C)NC(=O)COc1ccccc1 527a_100138425928_100000186222 [0,0,0,0,1,0|2,0,1]=4 2032 B14R1.818 CC(C)NC(=O)COc1ccccc1 7a_100000210340_100000183996 [0,0,0,0,1,0|2,0,1]=4 2033 B14R1.818 CC(C)NC(=O)CSc1ccccc1 11a_100138425928_100000211596 [0,0,0,0,1,0|2,0,1]=4 2034 B14R1.818 CC(C)NC(=O)CSc1ccccc1 1626a_100138425928_100000211596 [0,0,0,0,1,0|2,0,1]=4 2035 B14R1.818 CC(C)NC(=O)CSc1ccccc1 240690a_100138425928_100000211596 [0,0,0,0,1,0|2,0,1]=4 2036 B14R1.818 CC(C)NC(=O)CSc1ccccc1 527a_100138425928_100000211596 [0,0,0,0,1,0|2,0,1]=4 2037 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000183996_100000041952 [0,0,0,0,1,0|2,0,1]=4 2038 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000719477_100000183996 [0,0,0,0,1,0|2,0,1]=4 2039 B14R1.818 CC(C)NC(=O)NCc1ccccc1 2708a_100015324214_100138425928 [0,0,0,0,1,0|2,0,1]=4 2040 B14R1.818 CC(C)NC(=O)NCc1ccccc1 2708a_100138425928_100015324214 [0,0,0,0,1,0|2,0,1]=4 2041 B14R1.818 CC(C)NC(=O)NCc1ccccc1 273464a_100138425928_100015324214 [0,0,0,0,1,0|2,0,1]=4 2042 B14R1.818 CC(C)NC(=O)NCc1ccccc1 512a_100015324214_100138425928 [0,0,0,0,1,0|2,0,1]=4 2043 B14R1.818 CC(C)NC(=O)NCc1ccccc1 512a_100138425928_100015324214 [0,0,0,0,1,0|2,0,1]=4 2044 B14R1.818 CC(C)NC(=O)NNc1ccccc1 273464a_100138425928_100015195140 [0,0,0,0,1,0|3,0,0]=4 2045 B14R1.818 CC(C)NC(=O)NNc1ccccc1 512a_100138425928_100015195140 [0,0,0,0,1,0|3,0,0]=4 2046 B14R1.818 CC(C)OC(=O)CNc1ccccc1 34a_100000106764_100011215430 [0,0,0,0,1,0|1,0,1]=3 2047 B14R1.818 CC(C)OC(=O)COc1ccccc1 34a_100000210340_100011215430 [0,0,0,0,1,0|1,0,1]=3 2048 B14R1.818 CC(C)OC(=O)COc1ccccc1 7a_100000210340_100011215430 [0,0,0,0,1,0|1,0,1]=3 2049 B14R1.818 CC(C)OC(=O)COc1cccnc1 34a_100000210849_100011215430 [0,0,0,0,1,0|2,0,1]=4 2050 B14R1.818 CC(C)OC(=O)COc1cccnc1 7a_100000210849_100011215430 [0,0,0,0,1,0|2,0,1]=4 2051 B14R1.818 CC(C)OC(=O)COc1ccncc1 34a_100000212176_100011215430 [0,0,0,0,1,0|2,0,1]=4 2052 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100000719477_100011215430 [0,0,0,0,1,0|1,0,1]=3 2053 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100011215430_100000041952 [0,0,0,0,1,0|1,0,1]=3 2054 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011215430_100011216584 [0,0,0,0,1,0|2,0,1]=4 2055 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011216584_100011215430 [0,0,0,0,1,0|2,0,1]=4 2056 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100000210063_100011215430 [0,0,0,0,1,0|2,0,1]=4 2057 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100011215430_100000210063 [0,0,0,0,1,0|2,0,1]=4 2058 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100000728582_100011215430 [0,0,0,0,1,0|2,0,1]=4 2059 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100011215430_100000728582 [0,0,0,0,1,0|2,0,1]=4 2060 B14R1.818 CC(O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100011218427 [0,0,0,0,1,0|1,0,2]=4 2061 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [0,0,0,0,1,0|1,0,0]=2 2062 B14R1.818 CC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218427 [0,0,0,0,1,0|2,0,0]=3 2063 B14R1.818 CC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218427 [0,0,0,0,1,0|2,0,0]=3 2064 B14R1.818 CC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218427 [0,0,0,0,1,0|2,0,0]=3 2065 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [0,0,0,0,1,0|1,0,2]=4 2066 B14R1.818 CC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218427 [0,0,0,0,1,0|2,0,1]=4 2067 B14R1.818 CC(O)CC(=O)CSc1ccccc1 1458a_100000211596_100011218427 [0,0,0,0,1,0|2,0,1]=4 2068 B14R1.818 CN(C)CC(=O)CCc1ccccc1 1458a_100000750896_100000765856 [0,0,0,0,1,0|1,0,2]=4 2069 B14R1.818 CN(C)CC(=O)CCc1ccccc1 2230a_100102631434_100012361361 [0,0,0,0,1,0|1,0,2]=4 2070 B14R1.818 CN(C)CC(=O)CCc1ccccc1 269982a_100102631434_100012361361 [0,0,0,0,1,0|1,0,2]=4 2071 B14R1.818 CN(C)CC(=O)NCc1ccccc1 11a_100015324214_100000750896 [0,0,0,0,1,0|2,0,1]=4 2072 B14R1.818 CN(C)CC(=O)NCc1ccccc1 2230a_100015205873_200000210301 [0,0,0,0,1,0|2,0,1]=4 2073 B14R1.818 CN(C)CC(=O)NCc1ccccc1 2230a_100102631434_100000183539 [0,0,0,0,1,0|2,0,1]=4 2074 B14R1.818 CN(C)CC(=O)NCc1ccccc1 240690a_100015324214_100000750896 [0,0,0,0,1,0|2,0,1]=4 2075 B14R1.818 CN(C)CC(=O)NCc1ccccc1 269982a_100015205873_200000210301 [0,0,0,0,1,0|2,0,1]=4 2076 B14R1.818 CN(C)CC(=O)NCc1ccccc1 269982a_100102631434_100000183539 [0,0,0,0,1,0|2,0,1]=4 2077 B14R1.818 CN(C)CC(=O)NCc1ccccc1 527a_100015324214_100000750896 [0,0,0,0,1,0|2,0,1]=4 2078 B14R1.818 CN(C)CC(=O)NNc1ccccc1 22a_100015195140_100000750896 [0,0,0,0,1,0|3,0,0]=4 2079 B14R1.818 CN(C)CC(=O)OCc1ccccc1 2230a_100020626385_200000210301 [0,0,0,0,1,0|2,0,1]=4 2080 B14R1.818 CN(C)CC(=O)OCc1ccccc1 2230a_100102631434_100000753625 [0,0,0,0,1,0|2,0,1]=4 2081 B14R1.818 CN(C)CC(=O)OCc1ccccc1 269982a_100020626385_200000210301 [0,0,0,0,1,0|2,0,1]=4 2082 B14R1.818 CN(C)CC(=O)OCc1ccccc1 269982a_100102631434_100000753625 [0,0,0,0,1,0|2,0,1]=4 2083 B14R1.818 CN([13CH3])CC(=O)NCc1ccccc1 2230a_100015205873_200025704644 [0,0,0,0,1,0|2,0,1]=4 2084 B14R1.818 CN([13CH3])CC(=O)NCc1ccccc1 269982a_100015205873_200025704644 [0,0,0,0,1,0|2,0,1]=4 2085 B14R1.818 CN([13CH3])CC(=O)OCc1ccccc1 2230a_100020626385_200025704644 [0,0,0,0,1,0|2,0,1]=4 2086 B14R1.818 CN([13CH3])CC(=O)OCc1ccccc1 269982a_100020626385_200025704644 [0,0,0,0,1,0|2,0,1]=4 2087 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [0,0,0,0,1,0|1,0,2]=4 2088 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 240690a_100015324214_100011933948 [0,0,0,0,1,0|2,0,1]=4 2089 B14R1.818 C[C@@H](O)CC(=O)NNc1ccccc1 22a_100015195140_100011933948 [0,0,0,0,1,0|3,0,0]=4 2090 B14R1.818 C[S+](C)CC(=O)CCc1ccccc1 1458a_200159257847_100000765856 [0,0,0,0,1,0|1,0,2]=4 2091 B14R1.818 C[S+](C)CC(=O)NCc1ccccc1 11a_100015324214_200159257847 [0,0,0,0,1,0|2,0,1]=4 2092 B14R1.818 C[S+](C)CC(=O)NCc1ccccc1 1626a_100015324214_200159257847 [0,0,0,0,1,0|2,0,1]=4 2093 B14R1.818 C[S+](C)CC(=O)NCc1ccccc1 240690a_100015324214_200159257847 [0,0,0,0,1,0|2,0,1]=4 2094 B14R1.818 C[S+](C)CC(=O)NCc1ccccc1 527a_100015324214_200159257847 [0,0,0,0,1,0|2,0,1]=4 2095 B14R1.818 C[S+](C)CC(=O)NNc1ccccc1 22a_100015195140_200159257847 [0,0,0,0,1,0|3,0,0]=4 2096 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [0,0,0,0,1,0|2,0,1]=4 2097 B14R1.818 O=C(C=Cc1ccccc1)CC(F)F 1458a_100000210462_100011934356 [0,0,0,0,1,0|2,0,0]=3 2098 B14R1.818 O=C(C=Cc1ccccc1)C[N+](=O)[O-] 1458a_100000210462_100000761209 [0,0,0,0,1,0|3,0,0]=4 2099 B14R1.818 O=C(C=Cc1ccccn1)CC(F)F 1458a_100000740811_100011934356 [0,0,0,0,1,0|3,0,0]=4 2100 B14R1.818 O=C(C=Cc1cccnc1)CC(F)F 1458a_100000735890_100011934356 [0,0,0,0,1,0|3,0,0]=4 2101 B14R1.818 O=C(C=Cc1ccncc1)CC(F)F 1458a_100000682801_100011934356 [0,0,0,0,1,0|3,0,0]=4 2102 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [0,0,0,0,1,0|2,0,1]=4 2103 B14R1.4526 CC(C)CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210312 [0,0,0,0,1,0|3,0,0]=4 2104 B14R1.4526 CC(C)CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210312 [0,0,0,0,1,0|2,0,0]=3 2105 B14R1.4526 CC(C)CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210312 [0,0,0,0,1,0|2,0,0]=3 2106 B14R1.4526 CC(C)CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210312 [0,0,0,0,1,0|2,0,0]=3 2107 B14R1.4526 CC(C)CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210312 [0,0,0,0,1,0|3,0,0]=4 2108 B14R1.4526 CC(C)CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210312 [0,0,0,0,1,0|3,0,0]=4 2109 B14R1.4526 CC(C)CCC(=O)C=Cc1nccs1 6a_100000750902_100000210476 [0,0,0,0,1,0|3,0,0]=4 2110 B14R1.4526 CC(C)CNC(=O)C=Cc1c[nH]cn1 240690a_100000210953_100102678534 [0,0,0,0,1,0|3,0,0]=4 2111 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 11a_100000210953_100000182767 [0,0,0,0,1,0|2,0,0]=3 2112 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 1626a_100000210953_100000182767 [0,0,0,0,1,0|2,0,0]=3 2113 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 240690a_100000210953_100000182767 [0,0,0,0,1,0|2,0,0]=3 2114 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 11a_100000210953_100000238621 [0,0,0,0,1,0|2,0,0]=3 2115 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 1626a_100000210953_100000238621 [0,0,0,0,1,0|2,0,0]=3 2116 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 240690a_100000210953_100000238621 [0,0,0,0,1,0|2,0,0]=3 2117 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 11a_100000210953_100000698588 [0,0,0,0,1,0|2,0,0]=3 2118 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 1626a_100000210953_100000698588 [0,0,0,0,1,0|2,0,0]=3 2119 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 240690a_100000210953_100000698588 [0,0,0,0,1,0|2,0,0]=3 2120 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 527a_100000210953_100000698588 [0,0,0,0,1,0|2,0,0]=3 2121 B14R1.4526 CC(C)CNC(=O)C=Cc1cscn1 11a_100000210953_200000747928 [0,0,0,0,1,0|3,0,0]=4 2122 B14R1.4526 CC(C)CNC(=O)C=Cc1cscn1 1626a_100000210953_200000747928 [0,0,0,0,1,0|3,0,0]=4 2123 B14R1.4526 CC(C)CNC(=O)C=Cc1cscn1 240690a_100000210953_200000747928 [0,0,0,0,1,0|3,0,0]=4 2124 B14R1.4526 CC(C)CNC(=O)C=Cc1nccs1 11a_100000210953_100102558208 [0,0,0,0,1,0|3,0,0]=4 2125 B14R1.4526 CC(C)CNC(=O)C=Cc1nccs1 240690a_100000210953_100102558208 [0,0,0,0,1,0|3,0,0]=4 2126 B14R1.4526 CC(C)NNC(=O)C=Cc1ccco1 22a_100000741168_100000720202 [0,0,0,0,1,0|3,0,0]=4 2127 B14R1.4526 CC(C)NNC(=O)C=Cc1cccs1 22a_100000741168_100000182767 [0,0,0,0,1,0|3,0,0]=4 2128 B14R1.4526 CC(C)NNC(=O)C=Cc1ccoc1 22a_100000741168_100000238621 [0,0,0,0,1,0|3,0,0]=4 2129 B14R1.4526 CC(C)NNC(=O)C=Cc1ccsc1 22a_100000741168_100000698588 [0,0,0,0,1,0|3,0,0]=4 2130 B14R1.4526 CC(O)CCC(=O)C=Cc1cccs1 1458a_100000182767_100012276601 [0,0,0,0,1,0|3,0,0]=4 2131 B14R1.4526 CC(O)CCC(=O)C=Cc1ccoc1 1458a_100000238621_100012276601 [0,0,0,0,1,0|3,0,0]=4 2132 B14R1.4526 CC(O)CCC(=O)C=Cc1ccsc1 1458a_100000698588_100012276601 [0,0,0,0,1,0|3,0,0]=4 2133 B14R1.4526 CC(O)CNC(=O)C=Cc1cccs1 11a_100000210904_100000182767 [0,0,0,0,1,0|3,0,0]=4 2134 B14R1.4526 CC(O)CNC(=O)C=Cc1cccs1 240690a_100000210904_100000182767 [0,0,0,0,1,0|3,0,0]=4 2135 B14R1.4526 CC(O)CNC(=O)C=Cc1ccoc1 11a_100000210904_100000238621 [0,0,0,0,1,0|3,0,0]=4 2136 B14R1.4526 CC(O)CNC(=O)C=Cc1ccoc1 240690a_100000210904_100000238621 [0,0,0,0,1,0|3,0,0]=4 2137 B14R1.4526 CC(O)CNC(=O)C=Cc1ccsc1 11a_100000210904_100000698588 [0,0,0,0,1,0|3,0,0]=4 2138 B14R1.4526 CC(O)CNC(=O)C=Cc1ccsc1 240690a_100000210904_100000698588 [0,0,0,0,1,0|3,0,0]=4 2139 B14R1.4526 CC(O)CNC(=O)C=Cc1ccsc1 527a_100000210904_100000698588 [0,0,0,0,1,0|3,0,0]=4 2140 B16R1.608 C=C(C)CNNC(=O)C=Cc1ccccc1 22a_100000729518_100000210462 [0,0,0,0,0,1|1,0,2]=4 2141 B16R1.608 CC(=CCCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100011217483 [0,0,0,0,0,1|1,0,1]=3 2142 B16R1.608 CC(=CCCC(=O)C=Cc1ccccn1)C 1458a_100000740811_100011217483 [0,0,0,0,0,1|2,0,1]=4 2143 B16R1.608 CC(=CCCC(=O)C=Cc1cccnc1)C 1458a_100000735890_100011217483 [0,0,0,0,0,1|2,0,1]=4 2144 B16R1.608 CC(=CCCC(=O)C=Cc1ccncc1)C 1458a_100000682801_100011217483 [0,0,0,0,0,1|2,0,1]=4 2145 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 11a_100000718196_100000210462 [0,0,0,0,0,1|1,0,1]=3 2146 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 1626a_100000718196_100000210462 [0,0,0,0,0,1|1,0,1]=3 2147 B16R1.608 CC(=CCNC(=O)C=Cc1ccccn1)C 11a_100000718196_100000740811 [0,0,0,0,0,1|2,0,1]=4 2148 B16R1.608 CC(=CCNC(=O)C=Cc1cccnc1)C 11a_100000718196_100000735890 [0,0,0,0,0,1|2,0,1]=4 2149 B16R1.608 CC(=NNCC(C)O)C=Cc1ccccc1 4a_200000730056_100000204604 [0,0,0,0,0,1|3,0,0]=4 2150 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215641 [0,0,0,0,0,1|2,0,1]=4 2151 B16R1.608 CC(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200000210301 [0,0,0,0,0,1|2,0,1]=4 2152 B16R1.608 CC(=O)NCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000189650 [0,0,0,0,0,1|2,0,1]=4 2153 B16R1.608 CC(=O)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100009814007 [0,0,0,0,0,1|2,0,1]=4 2154 B16R1.608 CC(Br)COCC(=O)CCc1ccccc1 34a_100012180447_100012361361 [0,0,0,0,0,1|1,0,2]=4 2155 B16R1.608 CC(Br)COCC(=O)NCc1ccccc1 34a_100012180447_100000183539 [0,0,0,0,0,1|2,0,1]=4 2156 B16R1.608 CC(Br)COCC(=O)OCc1ccccc1 34a_100012180447_100000753625 [0,0,0,0,0,1|2,0,1]=4 2157 B16R1.608 CC(C)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011214892 [0,0,0,0,0,1|1,0,2]=4 2158 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214892 [0,0,0,0,0,1|1,0,0]=2 2159 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214892 [0,0,0,0,0,1|2,0,0]=3 2160 B16R1.608 CC(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214892 [0,0,0,0,0,1|2,0,0]=3 2161 B16R1.608 CC(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214892 [0,0,0,0,0,1|2,0,0]=3 2162 B16R1.608 CC(C)CCCC(=O)C=Cc1cncnc1 6a_100000749868_100000753411 [0,0,0,0,0,1|3,0,0]=4 2163 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100000185753_100011214892 [0,0,0,0,0,1|1,0,2]=4 2164 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100011216857_100000765856 [0,0,0,0,0,1|1,0,2]=4 2165 B16R1.608 CC(C)CCCC(=O)COc1ccccc1 1458a_100000186222_100011214892 [0,0,0,0,0,1|2,0,1]=4 2166 B16R1.608 CC(C)CCCC(=O)CSc1ccccc1 1458a_100000211596_100011214892 [0,0,0,0,0,1|2,0,1]=4 2167 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 11a_100015324214_100011216857 [0,0,0,0,0,1|2,0,1]=4 2168 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 1626a_100015324214_100011216857 [0,0,0,0,0,1|2,0,1]=4 2169 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 240690a_100015324214_100011216857 [0,0,0,0,0,1|2,0,1]=4 2170 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 527a_100015324214_100011216857 [0,0,0,0,0,1|2,0,1]=4 2171 B16R1.608 CC(C)CCCC(=O)NNc1ccccc1 22a_100015195140_100011216857 [0,0,0,0,0,1|3,0,0]=4 2172 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 240690a_100000210545_100000736102 [0,0,0,0,0,1|1,0,2]=4 2173 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 11a_100000210545_100000210462 [0,0,0,0,0,1|1,0,0]=2 2174 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 1626a_100000210545_100000210462 [0,0,0,0,0,1|1,0,0]=2 2175 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 11a_100000210545_100000740811 [0,0,0,0,0,1|2,0,0]=3 2176 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210545_100000740811 [0,0,0,0,0,1|2,0,0]=3 2177 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 11a_100000210545_100000735890 [0,0,0,0,0,1|2,0,0]=3 2178 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210545_100000735890 [0,0,0,0,0,1|2,0,0]=3 2179 B16R1.608 CC(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210545_100000682801 [0,0,0,0,0,1|2,0,0]=3 2180 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 11a_100000210545_100000185753 [0,0,0,0,0,1|1,0,2]=4 2181 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 1626a_100000210545_100000185753 [0,0,0,0,0,1|1,0,2]=4 2182 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 240690a_100000210545_100000185753 [0,0,0,0,0,1|1,0,2]=4 2183 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 527a_100000210545_100000185753 [0,0,0,0,0,1|1,0,2]=4 2184 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 11a_100000210545_100000186222 [0,0,0,0,0,1|2,0,1]=4 2185 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 1626a_100000210545_100000186222 [0,0,0,0,0,1|2,0,1]=4 2186 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 240690a_100000210545_100000186222 [0,0,0,0,0,1|2,0,1]=4 2187 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 527a_100000210545_100000186222 [0,0,0,0,0,1|2,0,1]=4 2188 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 11a_100000210545_100000211596 [0,0,0,0,0,1|2,0,1]=4 2189 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 1626a_100000210545_100000211596 [0,0,0,0,0,1|2,0,1]=4 2190 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 240690a_100000210545_100000211596 [0,0,0,0,0,1|2,0,1]=4 2191 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 527a_100000210545_100000211596 [0,0,0,0,0,1|2,0,1]=4 2192 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100000210545_100015324214 [0,0,0,0,0,1|2,0,1]=4 2193 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000210545 [0,0,0,0,0,1|2,0,1]=4 2194 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100000210545_100015324214 [0,0,0,0,0,1|2,0,1]=4 2195 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000210545 [0,0,0,0,0,1|2,0,1]=4 2196 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100000210545_100015324214 [0,0,0,0,0,1|2,0,1]=4 2197 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100000210545 [0,0,0,0,0,1|2,0,1]=4 2198 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 273464a_100000210545_100015195140 [0,0,0,0,0,1|3,0,0]=4 2199 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 512a_100000210545_100015195140 [0,0,0,0,0,1|3,0,0]=4 2200 B16R1.608 CC(C)CNCC(=O)CCc1ccccc1 2230a_100000210953_100012361361 [0,0,0,0,0,1|1,0,2]=4 2201 B16R1.608 CC(C)CNCC(=O)CCc1ccccc1 34a_100000210953_100012361361 [0,0,0,0,0,1|1,0,2]=4 2202 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 2230a_100000210953_100000183539 [0,0,0,0,0,1|2,0,1]=4 2203 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 2230a_100000739245_100000210760 [0,0,0,0,0,1|2,0,1]=4 2204 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 270004a_100000739245_100000210432 [0,0,0,0,0,1|2,0,1]=4 2205 B16R1.608 CC(C)CNCC(=O)NCc1ccccc1 34a_100000210953_100000183539 [0,0,0,0,0,1|2,0,1]=4 2206 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 2230a_100000210953_100000753625 [0,0,0,0,0,1|2,0,1]=4 2207 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 34a_100000210953_100000753625 [0,0,0,0,0,1|2,0,1]=4 2208 B16R1.608 CC(C)CNNC(=O)C#Cc1ccccc1 22a_100000696102_100000736102 [0,0,0,0,0,1|1,0,2]=4 2209 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccc1 22a_100000696102_100000210462 [0,0,0,0,0,1|1,0,0]=2 2210 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccn1 22a_100000696102_100000740811 [0,0,0,0,0,1|2,0,0]=3 2211 B16R1.608 CC(C)CNNC(=O)C=Cc1cccnc1 22a_100000696102_100000735890 [0,0,0,0,0,1|2,0,0]=3 2212 B16R1.608 CC(C)CNNC(=O)C=Cc1ccncc1 22a_100000696102_100000682801 [0,0,0,0,0,1|2,0,0]=3 2213 B16R1.608 CC(C)CNNC(=O)CCc1ccccc1 22a_100000696102_100000185753 [0,0,0,0,0,1|1,0,2]=4 2214 B16R1.608 CC(C)CNNC(=O)COc1ccccc1 22a_100000696102_100000186222 [0,0,0,0,0,1|2,0,1]=4 2215 B16R1.608 CC(C)CNNC(=O)CSc1ccccc1 22a_100000696102_100000211596 [0,0,0,0,0,1|2,0,1]=4 2216 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 273464a_100015324214_100000696102 [0,0,0,0,0,1|2,0,1]=4 2217 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 512a_100000696102_100015324214 [0,0,0,0,0,1|2,0,1]=4 2218 B16R1.608 CC(C)CNNC(=O)NCc1ccccc1 512a_100015324214_100000696102 [0,0,0,0,0,1|2,0,1]=4 2219 B16R1.608 CC(C)CNNC(=O)NNc1ccccc1 512a_100000696102_100015195140 [0,0,0,0,0,1|3,0,0]=4 2220 B16R1.608 CC(C)COCC(=O)CCc1ccccc1 1458a_100011223364_100000765856 [0,0,0,0,0,1|0,0,2]=3 2221 B16R1.608 CC(C)COCC(=O)CCc1ccccc1 34a_100000210257_100012361361 [0,0,0,0,0,1|0,0,2]=3 2222 B16R1.608 CC(C)COCC(=O)CCc1ccccn1 1458a_100011223364_100015183660 [0,0,0,0,0,1|1,0,2]=4 2223 B16R1.608 CC(C)COCC(=O)CCc1cccnc1 1458a_100011223364_200011713674 [0,0,0,0,0,1|1,0,2]=4 2224 B16R1.608 CC(C)COCC(=O)CCc1ccncc1 1458a_100011223364_100000723409 [0,0,0,0,0,1|1,0,2]=4 2225 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 11a_100015324214_100011223364 [0,0,0,0,0,1|1,0,1]=3 2226 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 1626a_100015324214_100011223364 [0,0,0,0,0,1|1,0,1]=3 2227 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 240690a_100015324214_100011223364 [0,0,0,0,0,1|1,0,1]=3 2228 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 34a_100000210257_100000183539 [0,0,0,0,0,1|1,0,1]=3 2229 B16R1.608 CC(C)COCC(=O)NCc1ccccc1 527a_100015324214_100011223364 [0,0,0,0,0,1|1,0,1]=3 2230 B16R1.608 CC(C)COCC(=O)NCc1ccccn1 11a_100000210449_100011223364 [0,0,0,0,0,1|2,0,1]=4 2231 B16R1.608 CC(C)COCC(=O)NCc1ccccn1 1626a_100000210449_100011223364 [0,0,0,0,0,1|2,0,1]=4 2232 B16R1.608 CC(C)COCC(=O)NCc1ccccn1 240690a_100000210449_100011223364 [0,0,0,0,0,1|2,0,1]=4 2233 B16R1.608 CC(C)COCC(=O)NCc1ccccn1 34a_100000210257_100000684169 [0,0,0,0,0,1|2,0,1]=4 2234 B16R1.608 CC(C)COCC(=O)NCc1ccccn1 527a_100000210449_100011223364 [0,0,0,0,0,1|2,0,1]=4 2235 B16R1.608 CC(C)COCC(=O)NCc1cccnc1 11a_100000210453_100011223364 [0,0,0,0,0,1|2,0,1]=4 2236 B16R1.608 CC(C)COCC(=O)NCc1cccnc1 240690a_100000210453_100011223364 [0,0,0,0,0,1|2,0,1]=4 2237 B16R1.608 CC(C)COCC(=O)NCc1cccnc1 527a_100000210453_100011223364 [0,0,0,0,0,1|2,0,1]=4 2238 B16R1.608 CC(C)COCC(=O)NCc1ccncc1 11a_100000210450_100011223364 [0,0,0,0,0,1|2,0,1]=4 2239 B16R1.608 CC(C)COCC(=O)NCc1ccncc1 1626a_100000210450_100011223364 [0,0,0,0,0,1|2,0,1]=4 2240 B16R1.608 CC(C)COCC(=O)NCc1ccncc1 240690a_100000210450_100011223364 [0,0,0,0,0,1|2,0,1]=4 2241 B16R1.608 CC(C)COCC(=O)NCc1ccncc1 527a_100000210450_100011223364 [0,0,0,0,0,1|2,0,1]=4 2242 B16R1.608 CC(C)COCC(=O)NNc1ccccc1 22a_100015195140_100011223364 [0,0,0,0,0,1|2,0,0]=3 2243 B16R1.608 CC(C)COCC(=O)NNc1ccccn1 22a_100000183288_100011223364 [0,0,0,0,0,1|3,0,0]=4 2244 B16R1.608 CC(C)COCC(=O)NNc1cccnc1 22a_100000728903_100011223364 [0,0,0,0,0,1|3,0,0]=4 2245 B16R1.608 CC(C)COCC(=O)NNc1ccncc1 22a_100000698918_100011223364 [0,0,0,0,0,1|3,0,0]=4 2246 B16R1.608 CC(C)COCC(=O)OCc1ccccc1 34a_100000210257_100000753625 [0,0,0,0,0,1|1,0,1]=3 2247 B16R1.608 CC(C)CSCC(=O)CCc1ccccc1 62a_100000210624_100012361361 [0,0,0,0,0,1|0,1,2]=4 2248 B16R1.608 CC(C)CSCC(=O)CCc1ccccc1 62a_100012361361_100000210760 [0,0,0,0,0,1|0,1,2]=4 2249 B16R1.608 CC(C)CSCC(=O)NCc1ccccc1 62a_100000183539_100000210760 [0,0,0,0,0,1|1,1,1]=4 2250 B16R1.608 CC(C)CSCC(=O)NCc1ccccc1 62a_100000210624_100000183539 [0,0,0,0,0,1|1,1,1]=4 2251 B16R1.608 CC(C)CSCC(=O)OCc1ccccc1 62a_100000210624_100000753625 [0,0,0,0,0,1|1,1,1]=4 2252 B16R1.608 CC(C)CSCC(=O)OCc1ccccc1 62a_100000753625_100000210760 [0,0,0,0,0,1|1,1,1]=4 2253 B16R1.608 CC(C)NCCC(=O)NCc1ccccc1 2230a_100025741942_100000210206 [0,0,0,0,0,1|2,0,1]=4 2254 B16R1.608 CC(C)NCCC(=O)NCc1ccccc1 34a_100025741942_100000210206 [0,0,0,0,0,1|2,0,1]=4 2255 B16R1.608 CC(C)NCCC(=O)OCc1ccccc1 2230a_100138425928_100009813219 [0,0,0,0,0,1|2,0,1]=4 2256 B16R1.608 CC(C)OCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000211751 [0,0,0,0,0,1|1,0,2]=4 2257 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211751 [0,0,0,0,0,1|1,0,0]=2 2258 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000211751 [0,0,0,0,0,1|2,0,0]=3 2259 B16R1.608 CC(C)OCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000211751 [0,0,0,0,0,1|2,0,0]=3 2260 B16R1.608 CC(C)OCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000211751 [0,0,0,0,0,1|2,0,0]=3 2261 B16R1.608 CC(C)OCCC(=O)C=Cc1cncnc1 6a_100000749868_200011219172 [0,0,0,0,0,1|3,0,0]=4 2262 B16R1.608 CC(C)OCCC(=O)CCc1ccccc1 1458a_100000185753_100000211751 [0,0,0,0,0,1|1,0,2]=4 2263 B16R1.608 CC(C)OCCC(=O)COc1ccccc1 1458a_100000186222_100000211751 [0,0,0,0,0,1|2,0,1]=4 2264 B16R1.608 CC(C)OCCC(=O)CSc1ccccc1 1458a_100000211596_100000211751 [0,0,0,0,0,1|2,0,1]=4 2265 B16R1.608 CC(C)OCCC(=O)OCc1ccccc1 7a_100009831632_100000210206 [0,0,0,0,0,1|2,0,1]=4 2266 B16R1.608 CC(C)SCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000730970 [0,0,0,0,0,1|1,0,2]=4 2267 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730970 [0,0,0,0,0,1|1,0,0]=2 2268 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730970 [0,0,0,0,0,1|2,0,0]=3 2269 B16R1.608 CC(C)SCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730970 [0,0,0,0,0,1|2,0,0]=3 2270 B16R1.608 CC(C)SCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730970 [0,0,0,0,0,1|2,0,0]=3 2271 B16R1.608 CC(C)SCCC(=O)CCc1ccccc1 1458a_100000185753_100000730970 [0,0,0,0,0,1|1,0,2]=4 2272 B16R1.608 CC(C)SCCC(=O)COc1ccccc1 1458a_100000186222_100000730970 [0,0,0,0,0,1|2,0,1]=4 2273 B16R1.608 CC(C)SCCC(=O)CSc1ccccc1 1458a_100000211596_100000730970 [0,0,0,0,0,1|2,0,1]=4 2274 B16R1.608 CC(C)SCCC(=O)OCc1ccccc1 62a_100000210206_100009813219 [0,0,0,0,0,1|2,0,1]=4 2275 B16R1.608 CC(C)SCCC(=O)OCc1ccccc1 62a_100009813219_100000210206 [0,0,0,0,0,1|2,0,1]=4 2276 B16R1.608 CC(F)COCC(=O)CCc1ccccc1 34a_100015925927_100012361361 [0,0,0,0,0,1|1,0,2]=4 2277 B16R1.608 CC(F)COCC(=O)NCc1ccccc1 34a_100015925927_100000183539 [0,0,0,0,0,1|2,0,1]=4 2278 B16R1.608 CC(F)COCC(=O)OCc1ccccc1 34a_100015925927_100000753625 [0,0,0,0,0,1|2,0,1]=4 2279 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000718107 [0,0,0,0,0,1|2,0,0]=3 2280 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_200000718107 [0,0,0,0,0,1|3,0,0]=4 2281 B16R1.608 CC(O)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_200000718107 [0,0,0,0,0,1|3,0,0]=4 2282 B16R1.608 CC(O)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_200000718107 [0,0,0,0,0,1|3,0,0]=4 2283 B16R1.608 CC(O)CCNC(=O)C=Cc1ccccn1 240690a_200000755665_100000740811 [0,0,0,0,0,1|3,0,0]=4 2284 B16R1.608 CC(O)CCNC(=O)C=Cc1cccnc1 240690a_200000755665_100000735890 [0,0,0,0,0,1|3,0,0]=4 2285 B16R1.608 CC(O)CCNC(=O)C=Cc1ccncc1 240690a_200000755665_100000682801 [0,0,0,0,0,1|3,0,0]=4 2286 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccc1 22a_200000730056_100000210462 [0,0,0,0,0,1|2,0,0]=3 2287 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccn1 22a_200000730056_100000740811 [0,0,0,0,0,1|3,0,0]=4 2288 B16R1.608 CC(O)CNNC(=O)C=Cc1cccnc1 22a_200000730056_100000735890 [0,0,0,0,0,1|3,0,0]=4 2289 B16R1.608 CC(O)CNNC(=O)C=Cc1ccncc1 22a_200000730056_100000682801 [0,0,0,0,0,1|3,0,0]=4 2290 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000695564 [0,0,0,0,0,1|2,0,0]=3 2291 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000695564 [0,0,0,0,0,1|3,0,0]=4 2292 B16R1.608 CN(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000695564 [0,0,0,0,0,1|3,0,0]=4 2293 B16R1.608 CN(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000695564 [0,0,0,0,0,1|3,0,0]=4 2294 B16R1.608 CN(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210585_100000740811 [0,0,0,0,0,1|3,0,0]=4 2295 B16R1.608 CN(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210585_100000735890 [0,0,0,0,0,1|3,0,0]=4 2296 B16R1.608 CN(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210585_100000682801 [0,0,0,0,0,1|3,0,0]=4 2297 B16R1.608 C[C@@H](Cl)COCC(=O)CCc1ccccc1 34a_100016084084_100012361361 [0,0,0,0,0,1|1,0,2]=4 2298 B16R1.608 C[C@@H](Cl)COCC(=O)NCc1ccccc1 34a_100016084084_100000183539 [0,0,0,0,0,1|2,0,1]=4 2299 B16R1.608 C[C@@H](Cl)COCC(=O)OCc1ccccc1 34a_100016084084_100000753625 [0,0,0,0,0,1|2,0,1]=4 2300 B16R1.608 C[C@@H](N)COCC(=O)CCc1ccccc1 34a_100000737577_100012361361 [0,0,0,0,0,1|1,0,2]=4 2301 B16R1.608 C[C@@H](N)COCC(=O)NCc1ccccc1 34a_100000737577_100000183539 [0,0,0,0,0,1|2,0,1]=4 2302 B16R1.608 C[C@@H](N)COCC(=O)OCc1ccccc1 34a_100000737577_100000753625 [0,0,0,0,0,1|2,0,1]=4 2303 B16R1.608 [13CH3]C(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200025704644 [0,0,0,0,0,1|2,0,1]=4 2304 B16R1.18213 C=C(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000730704 [0,0,0,0,0,1|1,0,2]=4 2305 B16R1.18213 C=C(C)CCC(=O)C/C=C/c1ccccc1 1458a_200000688413_100016265936 [0,0,0,0,0,1|1,0,2]=4 2306 B16R1.18213 C=C(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000730704 [0,0,0,0,0,1|1,0,2]=4 2307 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 11a_100000765925_100011219626 [0,0,0,0,0,1|1,0,2]=4 2308 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 1626a_100000765925_100011219626 [0,0,0,0,0,1|1,0,2]=4 2309 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 240690a_100000765925_100011219626 [0,0,0,0,0,1|1,0,2]=4 2310 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 11a_100000765925_100016262050 [0,0,0,0,0,1|1,0,2]=4 2311 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 1626a_100000765925_100016262050 [0,0,0,0,0,1|1,0,2]=4 2312 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 240690a_100000765925_100016262050 [0,0,0,0,0,1|1,0,2]=4 2313 B16R1.18213 CC(=CCC(=O)C/C=C/c1ccccc1)C 1458a_100011219626_100000761012 [0,0,0,0,0,1|1,0,2]=4 2314 B16R1.18213 CC(=CCC(=O)C/C=C/c1ccccc1)C 1458a_100011220947_100016265936 [0,0,0,0,0,1|1,0,2]=4 2315 B16R1.18213 CC(=CCC(=O)C=CSc1ccccc1)C 1458a_100016262050_100000761012 [0,0,0,0,0,1|1,0,2]=4 2316 B16R1.18213 CC(C)C=CC(=O)C/C=C/c1ccccc1 1458a_100016268746_100016265936 [0,0,0,0,0,1|1,0,1]=3 2317 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000181311_100016265936 [0,0,0,0,0,1|1,0,0]=2 2318 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210312 [0,0,0,0,0,1|1,0,0]=2 2319 B16R1.18213 CC(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210312 [0,0,0,0,0,1|1,0,0]=2 2320 B16R1.18213 CC(C)CCC(=O)CC#Cc1ccccc1 1458a_100000181311_100011352542 [0,0,0,0,0,1|1,0,2]=4 2321 B16R1.18213 CC(C)CCC(=O)CCCc1ccccc1 1458a_100000181311_100000211621 [0,0,0,0,0,1|1,0,2]=4 2322 B16R1.18213 CC(C)CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210312 [0,0,0,0,0,1|1,0,2]=4 2323 B16R1.18213 CC(C)CCC(=O)CCOc1ccccc1 1458a_100000181311_100000184471 [0,0,0,0,0,1|1,0,2]=4 2324 B16R1.18213 CC(C)CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210312 [0,0,0,0,0,1|1,0,2]=4 2325 B16R1.18213 CC(C)CCC(=O)CCSc1ccccc1 1458a_100000181311_100000246102 [0,0,0,0,0,1|1,0,2]=4 2326 B16R1.18213 CC(C)CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210312 [0,0,0,0,0,1|1,0,2]=4 2327 B16R1.18213 CC(C)CCC(=O)COCc1ccccc1 1458a_100000230186_100000210312 [0,0,0,0,0,1|1,0,2]=4 2328 B16R1.18213 CC(C)CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210312 [0,0,0,0,0,1|1,0,2]=4 2329 B16R1.18213 CC(C)CCC(=O)CSCc1ccccc1 1458a_100000181311_200011217039 [0,0,0,0,0,1|1,0,2]=4 2330 B16R1.18213 CC(C)CCC(=O)NCCc1ccccc1 11a_100000106460_100000181311 [0,0,0,0,0,1|1,0,2]=4 2331 B16R1.18213 CC(C)CCC(=O)NCCc1ccccc1 1626a_100000106460_100000181311 [0,0,0,0,0,1|1,0,2]=4 2332 B16R1.18213 CC(C)CCC(=O)NCCc1ccccc1 240690a_100000106460_100000181311 [0,0,0,0,0,1|1,0,2]=4 2333 B16R1.18213 CC(C)CCC(=O)NCCc1ccccc1 527a_100000106460_100000181311 [0,0,0,0,0,1|1,0,2]=4 2334 B16R1.18213 CC(C)CCC(=O)NNCc1ccccc1 22a_100000007032_100000181311 [0,0,0,0,0,1|2,0,1]=4 2335 B16R1.18213 CC(C)CCN(C)C/C=C/c1ccccc1 2230a_100000742789_100016265936 [0,0,0,0,0,1|3,0,0]=4 2336 B16R1.18213 CC(C)CCN(C)C/C=C/c1ccccc1 269982a_100000742789_100016265936 [0,0,0,0,0,1|3,0,0]=4 2337 B16R1.18213 CC(C)CCN(C)CC=Cc1ccccc1 270004a_100000742789_100000210105 [0,0,0,0,0,1|3,0,0]=4 2338 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 11a_100000210953_100011219626 [0,0,0,0,0,1|1,0,0]=2 2339 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 1626a_100000210953_100011219626 [0,0,0,0,0,1|1,0,0]=2 2340 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 240690a_100000210953_100011219626 [0,0,0,0,0,1|1,0,0]=2 2341 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 11a_100000210953_100016262050 [0,0,0,0,0,1|1,0,0]=2 2342 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 1626a_100000210953_100016262050 [0,0,0,0,0,1|1,0,0]=2 2343 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 240690a_100000210953_100016262050 [0,0,0,0,0,1|1,0,0]=2 2344 B16R1.18213 CC(C)CNC(=O)CCCc1ccccc1 11a_100000210953_100011207963 [0,0,0,0,0,1|1,0,2]=4 2345 B16R1.18213 CC(C)CNC(=O)CCCc1ccccc1 1626a_100000210953_100011207963 [0,0,0,0,0,1|1,0,2]=4 2346 B16R1.18213 CC(C)CNC(=O)CCCc1ccccc1 240690a_100000210953_100011207963 [0,0,0,0,0,1|1,0,2]=4 2347 B16R1.18213 CC(C)CNC(=O)CCCc1ccccc1 527a_100000210953_100011207963 [0,0,0,0,0,1|1,0,2]=4 2348 B16R1.18213 CC(C)CNC(=O)CCOc1ccccc1 11a_100000210953_100000182761 [0,0,0,0,0,1|1,0,2]=4 2349 B16R1.18213 CC(C)CNC(=O)CCOc1ccccc1 1626a_100000210953_100000182761 [0,0,0,0,0,1|1,0,2]=4 2350 B16R1.18213 CC(C)CNC(=O)CCOc1ccccc1 240690a_100000210953_100000182761 [0,0,0,0,0,1|1,0,2]=4 2351 B16R1.18213 CC(C)CNC(=O)CCSc1ccccc1 11a_100000210953_100000182436 [0,0,0,0,0,1|1,0,2]=4 2352 B16R1.18213 CC(C)CNC(=O)CCSc1ccccc1 1626a_100000210953_100000182436 [0,0,0,0,0,1|1,0,2]=4 2353 B16R1.18213 CC(C)CNC(=O)CCSc1ccccc1 240690a_100000210953_100000182436 [0,0,0,0,0,1|1,0,2]=4 2354 B16R1.18213 CC(C)CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183291 [0,0,0,0,0,1|1,0,2]=4 2355 B16R1.18213 CC(C)CNC(=O)CNCc1ccccc1 34a_100015324214_100000183291 [0,0,0,0,0,1|1,0,2]=4 2356 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 11a_100000210953_100000230186 [0,0,0,0,0,1|1,0,2]=4 2357 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 1626a_100000210953_100000230186 [0,0,0,0,0,1|1,0,2]=4 2358 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 240690a_100000210953_100000230186 [0,0,0,0,0,1|1,0,2]=4 2359 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 34a_100000210790_100000183291 [0,0,0,0,0,1|1,0,2]=4 2360 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 527a_100000210953_100000230186 [0,0,0,0,0,1|1,0,2]=4 2361 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 7a_100000210790_100000183291 [0,0,0,0,0,1|1,0,2]=4 2362 B16R1.18213 CC(C)CNC(=O)CSCc1ccccc1 11a_100000210953_100000150264 [0,0,0,0,0,1|1,0,2]=4 2363 B16R1.18213 CC(C)CNC(=O)CSCc1ccccc1 1626a_100000210953_100000150264 [0,0,0,0,0,1|1,0,2]=4 2364 B16R1.18213 CC(C)CNC(=O)CSCc1ccccc1 240690a_100000210953_100000150264 [0,0,0,0,0,1|1,0,2]=4 2365 B16R1.18213 CC(C)CNC(=O)CSCc1ccccc1 527a_100000210953_100000150264 [0,0,0,0,0,1|1,0,2]=4 2366 B16R1.18213 CC(C)CNC(=O)CSCc1ccccc1 62a_100000183291_100015291786 [0,0,0,0,0,1|1,0,2]=4 2367 B16R1.18213 CC(C)CNC(=O)CSCc1ccccc1 62a_100000211182_100000183291 [0,0,0,0,0,1|1,0,2]=4 2368 B16R1.18213 CC(C)CNC(=O)NCCc1ccccc1 2708a_100000106460_100000210953 [0,0,0,0,0,1|1,0,2]=4 2369 B16R1.18213 CC(C)CNC(=O)NCCc1ccccc1 2708a_100000210953_100000106460 [0,0,0,0,0,1|1,0,2]=4 2370 B16R1.18213 CC(C)CNC(=O)NCCc1ccccc1 273464a_100000106460_100000210953 [0,0,0,0,0,1|1,0,2]=4 2371 B16R1.18213 CC(C)CNC(=O)NCCc1ccccc1 273464a_100000210953_100000106460 [0,0,0,0,0,1|1,0,2]=4 2372 B16R1.18213 CC(C)CNC(=O)NCCc1ccccc1 512a_100000106460_100000210953 [0,0,0,0,0,1|1,0,2]=4 2373 B16R1.18213 CC(C)CNC(=O)NCCc1ccccc1 512a_100000210953_100000106460 [0,0,0,0,0,1|1,0,2]=4 2374 B16R1.18213 CC(C)CNC(=O)NNCc1ccccc1 273464a_100000210953_100000007032 [0,0,0,0,0,1|2,0,1]=4 2375 B16R1.18213 CC(C)CNC(=O)NNCc1ccccc1 512a_100000210953_100000007032 [0,0,0,0,0,1|2,0,1]=4 2376 B16R1.18213 CC(C)NNC(=O)C/C=C/c1ccccc1 22a_100000741168_100011219626 [0,0,0,0,0,1|2,0,0]=3 2377 B16R1.18213 CC(C)NNC(=O)C=CSc1ccccc1 22a_100000741168_100016262050 [0,0,0,0,0,1|2,0,0]=3 2378 B16R1.18213 CC(C)OCC(=O)C/C=C/c1ccccc1 1458a_100000745533_100016265936 [0,0,0,0,0,1|2,0,0]=3 2379 B16R1.18213 CC(C)SCC(=O)C/C=C/c1ccccc1 1458a_100000241585_100016265936 [0,0,0,0,0,1|2,0,0]=3 2380 B16R1.18213 CC(O)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100012276601 [0,0,0,0,0,1|2,0,0]=3 2381 B16R1.18213 CC(O)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100012276601 [0,0,0,0,0,1|2,0,0]=3 2382 B16R1.18213 CC(O)CNC(=O)C/C=C/c1ccccc1 11a_100000210904_100011219626 [0,0,0,0,0,1|2,0,0]=3 2383 B16R1.18213 CC(O)CNC(=O)C/C=C/c1ccccc1 240690a_100000210904_100011219626 [0,0,0,0,0,1|2,0,0]=3 2384 B16R1.18213 CC(O)CNC(=O)C=CSc1ccccc1 11a_100000210904_100016262050 [0,0,0,0,0,1|2,0,0]=3 2385 B16R1.18213 CC(O)CNC(=O)C=CSc1ccccc1 240690a_100000210904_100016262050 [0,0,0,0,0,1|2,0,0]=3 2386 B16R1.18213 C[S+](C)CCC(=O)C/C=C/c1ccccc1 1458a_100009452791_100016265936 [0,0,0,0,0,1|2,0,0]=3 2387 B16R1.18213 O=C(C/C=C/c1ccccc1)NCC(F)F 11a_100000765723_100011219626 [0,0,0,0,0,1|3,0,0]=4 2388 B16R1.18213 O=C(C/C=C/c1ccccc1)NCC(F)F 1626a_100000765723_100011219626 [0,0,0,0,0,1|3,0,0]=4 2389 B16R1.18213 O=C(C/C=C/c1ccccc1)NCC(F)F 240690a_100000765723_100011219626 [0,0,0,0,0,1|3,0,0]=4 2390 B16R1.18213 O=C(C=CSc1ccccc1)NCC(F)F 11a_100000765723_100016262050 [0,0,0,0,0,1|3,0,0]=4 2391 B16R1.18213 O=C(C=CSc1ccccc1)NCC(F)F 1626a_100000765723_100016262050 [0,0,0,0,0,1|3,0,0]=4 2392 B16R1.18213 O=C(C=CSc1ccccc1)NCC(F)F 240690a_100000765723_100016262050 [0,0,0,0,0,1|3,0,0]=4 2393 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [2,0,0,0,0,0|1,0,1]=4 2394 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [2,0,0,0,0,0|1,0,1]=4 2395 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [2,0,0,0,0,0|1,0,1]=4 2396 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [2,0,0,0,0,0|1,0,1]=4 2397 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [2,0,0,0,0,0|1,0,1]=4 2398 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [2,0,0,0,0,0|0,0,1]=3 2399 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [2,0,0,0,0,0|0,0,1]=3 2400 B13R1.28 CCCOC/C=C/c1cccnc1 34a_200102594124_100000210303 [2,0,0,0,0,0|1,0,1]=4 2401 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [2,0,0,0,0,0|0,1,1]=4 2402 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [2,0,0,0,0,0|0,1,1]=4 2403 B13R1.28 CCNN=CC=Cc1ccccc1 4a_100000756455_100000210105 [2,0,0,0,0,0|2,0,0]=4 2404 B13R1.28 CSCOC/C=C/c1ccccc1 34a_100000210256_100011218213 [2,0,0,0,0,0|1,0,1]=4 2405 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [2,0,0,0,0,0|1,0,1]=4 2406 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [2,0,0,0,0,0|1,0,1]=4 2407 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [2,0,0,0,0,0|1,0,1]=4 2408 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [2,0,0,0,0,0|0,0,2]=4 2409 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [2,0,0,0,0,0|0,0,2]=4 2410 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [2,0,0,0,0,0|0,0,2]=4 2411 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [2,0,0,0,0,0|0,0,0]=2 2412 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [2,0,0,0,0,0|1,0,0]=3 2413 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [2,0,0,0,0,0|1,0,0]=3 2414 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [2,0,0,0,0,0|1,0,0]=3 2415 B13R1.42 CCCC(=O)C=Cc1cncnc1 6a_100000749868_100011215381 [2,0,0,0,0,0|2,0,0]=4 2416 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [2,0,0,0,0,0|0,0,2]=4 2417 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [2,0,0,0,0,0|0,0,2]=4 2418 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [2,0,0,0,0,0|1,0,1]=4 2419 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [2,0,0,0,0,0|1,0,1]=4 2420 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [2,0,0,0,0,0|1,0,1]=4 2421 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [2,0,0,0,0,0|1,0,1]=4 2422 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [2,0,0,0,0,0|1,0,1]=4 2423 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 2424 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 2425 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 2426 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 2427 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [2,0,0,0,0,0|2,0,0]=4 2428 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [2,0,0,0,0,0|1,0,0]=3 2429 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [2,0,0,0,0,0|2,0,0]=4 2430 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [2,0,0,0,0,0|2,0,0]=4 2431 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [2,0,0,0,0,0|2,0,0]=4 2432 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [2,0,0,0,0,0|2,0,0]=4 2433 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [2,0,0,0,0,0|2,0,0]=4 2434 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [2,0,0,0,0,0|0,0,0]=2 2435 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [2,0,0,0,0,0|1,0,0]=3 2436 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [2,0,0,0,0,0|1,0,0]=3 2437 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [2,0,0,0,0,0|2,0,0]=4 2438 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [2,0,0,0,0,0|1,0,0]=3 2439 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [2,0,0,0,0,0|2,0,0]=4 2440 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [2,0,0,0,0,0|2,0,0]=4 2441 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [2,0,0,0,0,0|2,0,0]=4 2442 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [2,0,0,0,0,0|2,0,0]=4 2443 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [2,0,0,0,0,0|2,0,0]=4 2444 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [2,0,0,0,0,0|1,0,1]=4 2445 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [2,0,0,0,0,0|1,0,1]=4 2446 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [2,0,0,0,0,0|1,0,1]=4 2447 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [2,0,0,0,0,0|1,0,1]=4 2448 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [2,0,0,0,0,0|1,0,1]=4 2449 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [2,0,0,0,0,0|2,0,0]=4 2450 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [2,0,0,0,0,0|1,0,1]=4 2451 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [2,0,0,0,0,0|1,0,0]=3 2452 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [2,0,0,0,0,0|1,0,0]=3 2453 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [2,0,0,0,0,0|2,0,0]=4 2454 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [2,0,0,0,0,0|2,0,0]=4 2455 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [2,0,0,0,0,0|2,0,0]=4 2456 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [2,0,0,0,0,0|2,0,0]=4 2457 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [2,0,0,0,0,0|2,0,0]=4 2458 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [2,0,0,0,0,0|2,0,0]=4 2459 B15R1.78 C#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731252 [1,1,0,0,0,0|1,0,1]=4 2460 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 11a_100000755551_100000210462 [1,1,0,0,0,0|1,0,1]=4 2461 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 1626a_100000755551_100000210462 [1,1,0,0,0,0|1,0,1]=4 2462 B15R1.78 C=CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757094 [1,1,0,0,0,0|1,0,1]=4 2463 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 11a_100015191253_100000210462 [1,1,0,0,0,0|1,0,1]=4 2464 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 1626a_100015191253_100000210462 [1,1,0,0,0,0|1,0,1]=4 2465 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 11a_100000685387_100000210462 [1,1,0,0,0,0|1,0,1]=4 2466 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 1626a_100000685387_100000210462 [1,1,0,0,0,0|1,0,1]=4 2467 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccc1 1458a_100000210462_100103147603 [1,1,0,0,0,0|1,0,1]=4 2468 B15R1.78 CCC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100009813939 [1,1,0,0,0,0|1,0,1]=4 2469 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [1,1,0,0,0,0|1,0,0]=3 2470 B15R1.78 CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210326 [1,1,0,0,0,0|2,0,0]=4 2471 B15R1.78 CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210326 [1,1,0,0,0,0|2,0,0]=4 2472 B15R1.78 CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210326 [1,1,0,0,0,0|2,0,0]=4 2473 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [1,1,0,0,0,0|1,0,0]=3 2474 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [1,1,0,0,0,0|1,0,0]=3 2475 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 11a_100000102301_100000740811 [1,1,0,0,0,0|2,0,0]=4 2476 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 240690a_100000102301_100000740811 [1,1,0,0,0,0|2,0,0]=4 2477 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 11a_100000102301_100000735890 [1,1,0,0,0,0|2,0,0]=4 2478 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 240690a_100000102301_100000735890 [1,1,0,0,0,0|2,0,0]=4 2479 B15R1.78 CCCCNC(=O)C=Cc1ccncc1 240690a_100000102301_100000682801 [1,1,0,0,0,0|2,0,0]=4 2480 B15R1.78 CCCCOC(=O)CNc1ccccc1 34a_100000106764_100000211628 [1,1,0,0,0,0|1,0,1]=4 2481 B15R1.78 CCCCOC(=O)COc1ccccc1 34a_100000210340_100000211628 [1,1,0,0,0,0|1,0,1]=4 2482 B15R1.78 CCCCOC(=O)COc1ccccc1 7a_100000210340_100000211628 [1,1,0,0,0,0|1,0,1]=4 2483 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000211628_100000041952 [1,1,0,0,0,0|1,0,1]=4 2484 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000719477_100000211628 [1,1,0,0,0,0|1,0,1]=4 2485 B15R1.78 CCCNN=C(C)C=Cc1ccccc1 4a_100000740057_100000204604 [1,1,0,0,0,0|2,0,0]=4 2486 B15R1.78 CCCNNC(=O)C=Cc1ccccc1 22a_100000740057_100000210462 [1,1,0,0,0,0|1,0,0]=3 2487 B15R1.78 CCCNNC(=O)C=Cc1ccccn1 22a_100000740057_100000740811 [1,1,0,0,0,0|2,0,0]=4 2488 B15R1.78 CCCNNC(=O)C=Cc1cccnc1 22a_100000740057_100000735890 [1,1,0,0,0,0|2,0,0]=4 2489 B15R1.78 CCCNNC(=O)C=Cc1ccncc1 22a_100000740057_100000682801 [1,1,0,0,0,0|2,0,0]=4 2490 B15R1.78 CCCOCC(=O)C=Cc1cncnc1 6a_100000749868_100010632825 [1,1,0,0,0,0|2,0,0]=4 2491 B15R1.78 CCCOCC(=O)CCc1ccccc1 1458a_100000745993_100000765856 [1,1,0,0,0,0|0,0,2]=4 2492 B15R1.78 CCCOCC(=O)CCc1ccccc1 34a_100000210258_100012361361 [1,1,0,0,0,0|0,0,2]=4 2493 B15R1.78 CCCOCC(=O)NCc1ccccc1 11a_100015324214_100000745993 [1,1,0,0,0,0|1,0,1]=4 2494 B15R1.78 CCCOCC(=O)NCc1ccccc1 1626a_100015324214_100000745993 [1,1,0,0,0,0|1,0,1]=4 2495 B15R1.78 CCCOCC(=O)NCc1ccccc1 240690a_100015324214_100000745993 [1,1,0,0,0,0|1,0,1]=4 2496 B15R1.78 CCCOCC(=O)NCc1ccccc1 34a_100000210258_100000183539 [1,1,0,0,0,0|1,0,1]=4 2497 B15R1.78 CCCOCC(=O)NCc1ccccc1 527a_100015324214_100000745993 [1,1,0,0,0,0|1,0,1]=4 2498 B15R1.78 CCCOCC(=O)NNc1ccccc1 22a_100015195140_100000745993 [1,1,0,0,0,0|2,0,0]=4 2499 B15R1.78 CCCOCC(=O)OCc1ccccc1 34a_100000210258_100000753625 [1,1,0,0,0,0|1,0,1]=4 2500 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [1,1,0,0,0,0|1,0,0]=3 2501 B15R1.78 CCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215890 [1,1,0,0,0,0|2,0,0]=4 2502 B15R1.78 CCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215890 [1,1,0,0,0,0|2,0,0]=4 2503 B15R1.78 CCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215890 [1,1,0,0,0,0|2,0,0]=4 2504 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [1,1,0,0,0,0|1,0,0]=3 2505 B15R1.78 CCSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757381 [1,1,0,0,0,0|2,0,0]=4 2506 B15R1.78 CCSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757381 [1,1,0,0,0,0|2,0,0]=4 2507 B15R1.78 CCSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757381 [1,1,0,0,0,0|2,0,0]=4 2508 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [1,1,0,0,0,0|1,0,0]=3 2509 B15R1.78 COCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000740836 [1,1,0,0,0,0|2,0,0]=4 2510 B15R1.78 COCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000740836 [1,1,0,0,0,0|2,0,0]=4 2511 B15R1.78 COCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000740836 [1,1,0,0,0,0|2,0,0]=4 2512 B15R1.78 COCCNC(=O)C=Cc1ccccc1 1626a_100000209980_100000210462 [1,1,0,0,0,0|1,0,0]=3 2513 B15R1.78 COCCNC(=O)C=Cc1ccccn1 240690a_100000209980_100000740811 [1,1,0,0,0,0|2,0,0]=4 2514 B15R1.78 COCCNC(=O)C=Cc1cccnc1 240690a_100000209980_100000735890 [1,1,0,0,0,0|2,0,0]=4 2515 B15R1.78 COCCNC(=O)C=Cc1ccncc1 240690a_100000209980_100000682801 [1,1,0,0,0,0|2,0,0]=4 2516 B15R1.78 COCCOC(=O)CNc1ccccc1 34a_100000106764_200000040189 [1,1,0,0,0,0|1,0,1]=4 2517 B15R1.78 COCCOC(=O)COc1ccccc1 34a_100000210340_200000040189 [1,1,0,0,0,0|1,0,1]=4 2518 B15R1.78 COCCOC(=O)COc1ccccc1 7a_100000210340_200000040189 [1,1,0,0,0,0|1,0,1]=4 2519 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_100000719477_200000040189 [1,1,0,0,0,0|1,0,1]=4 2520 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_200000040189_100000041952 [1,1,0,0,0,0|1,0,1]=4 2521 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 11a_100020590264_100000210462 [1,1,0,0,0,0|1,0,0]=3 2522 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 1626a_100020590264_100000210462 [1,1,0,0,0,0|1,0,0]=3 2523 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 11a_100020590264_100000740811 [1,1,0,0,0,0|2,0,0]=4 2524 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 240690a_100020590264_100000740811 [1,1,0,0,0,0|2,0,0]=4 2525 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 11a_100020590264_100000735890 [1,1,0,0,0,0|2,0,0]=4 2526 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 240690a_100020590264_100000735890 [1,1,0,0,0,0|2,0,0]=4 2527 B15R1.78 CSCCNC(=O)C=Cc1ccncc1 240690a_100020590264_100000682801 [1,1,0,0,0,0|2,0,0]=4 2528 B15R1.78 N#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211468 [1,1,0,0,0,0|1,0,1]=4 2529 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 11a_100000720768_100000210462 [1,1,0,0,0,0|1,0,1]=4 2530 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 1626a_100000720768_100000210462 [1,1,0,0,0,0|1,0,1]=4 2531 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [1,1,0,0,0,0|1,0,0]=3 2532 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [1,1,0,0,0,0|1,0,0]=3 2533 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 11a_100015189416_100000210462 [1,1,0,0,0,0|1,0,0]=3 2534 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 1626a_100015189416_100000210462 [1,1,0,0,0,0|1,0,0]=3 2535 B15R1.78 O=C(C=Cc1ccccc1)NNCCO 22a_100000210001_100000210462 [1,1,0,0,0,0|2,0,0]=4 2536 B15R1.78 O=C(C=Cc1ccccn1)CCCCF 1458a_100000740811_100000729493 [1,1,0,0,0,0|2,0,0]=4 2537 B15R1.78 O=C(C=Cc1ccccn1)CCCCO 1458a_100000740811_100000210776 [1,1,0,0,0,0|2,0,0]=4 2538 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 11a_100015189416_100000740811 [1,1,0,0,0,0|2,0,0]=4 2539 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 240690a_100015189416_100000740811 [1,1,0,0,0,0|2,0,0]=4 2540 B15R1.78 O=C(C=Cc1ccccn1)NCCCO 240690a_100000182051_100000740811 [1,1,0,0,0,0|2,0,0]=4 2541 B15R1.78 O=C(C=Cc1cccnc1)CCCCF 1458a_100000735890_100000729493 [1,1,0,0,0,0|2,0,0]=4 2542 B15R1.78 O=C(C=Cc1cccnc1)CCCCO 1458a_100000735890_100000210776 [1,1,0,0,0,0|2,0,0]=4 2543 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 11a_100015189416_100000735890 [1,1,0,0,0,0|2,0,0]=4 2544 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 240690a_100015189416_100000735890 [1,1,0,0,0,0|2,0,0]=4 2545 B15R1.78 O=C(C=Cc1cccnc1)NCCCO 240690a_100000182051_100000735890 [1,1,0,0,0,0|2,0,0]=4 2546 B15R1.78 O=C(C=Cc1ccncc1)CCCCF 1458a_100000682801_100000729493 [1,1,0,0,0,0|2,0,0]=4 2547 B15R1.78 O=C(C=Cc1ccncc1)CCCCO 1458a_100000682801_100000210776 [1,1,0,0,0,0|2,0,0]=4 2548 B15R1.78 O=C(C=Cc1ccncc1)NCCCF 240690a_100015189416_100000682801 [1,1,0,0,0,0|2,0,0]=4 2549 B15R1.78 O=C(C=Cc1ccncc1)NCCCO 240690a_100000182051_100000682801 [1,1,0,0,0,0|2,0,0]=4 2550 B15R1.115 CC(=CC(=O)CCCF)c1ccccc1 1458a_100000743005_100011934791 [1,1,0,0,0,0|2,0,0]=4 2551 B15R1.115 CC(=CC(=O)CCCO)c1ccccc1 1458a_100000743005_100011215043 [1,1,0,0,0,0|2,0,0]=4 2552 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 11a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 2553 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 2554 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 2555 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 527a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 2556 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000743005 [1,1,0,0,0,0|2,0,0]=4 2557 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 527a_100000210304_100000743005 [1,1,0,0,0,0|2,0,0]=4 2558 B15R1.115 CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210211 [1,1,0,0,0,0|1,0,0]=3 2559 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [1,1,0,0,0,0|1,0,1]=4 2560 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 11a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 2561 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 1626a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 2562 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 240690a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 2563 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 527a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 2564 B15R1.115 CCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183358 [1,1,0,0,0,0|1,0,1]=4 2565 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [1,1,0,0,0,0|0,0,1]=3 2566 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200011215008 [1,1,0,0,0,0|1,0,1]=4 2567 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200011215008 [1,1,0,0,0,0|1,0,1]=4 2568 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200011215008 [1,1,0,0,0,0|1,0,1]=4 2569 B15R1.115 CCNNC(=O)C=C(C)c1ccccc1 22a_100000756455_100000743005 [1,1,0,0,0,0|2,0,0]=4 2570 B15R1.115 COCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000233755 [1,1,0,0,0,0|2,0,0]=4 2571 B15R1.115 CSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000751147 [1,1,0,0,0,0|2,0,0]=4 2572 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210211 [1,1,0,0,0,0|1,0,0]=3 2573 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000032102 [1,1,0,0,0,0|1,0,0]=3 2574 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210211 [1,1,0,0,0,0|1,0,0]=3 2575 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210211 [1,1,0,0,0,0|1,0,0]=3 2576 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210211 [1,1,0,0,0,0|1,0,0]=3 2577 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000032102 [1,1,0,0,0,0|1,0,0]=3 2578 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210211 [1,1,0,0,0,0|1,0,0]=3 2579 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000032102 [1,1,0,0,0,0|1,0,0]=3 2580 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000032102 [1,1,0,0,0,0|2,0,0]=4 2581 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000032102 [1,1,0,0,0,0|2,0,0]=4 2582 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000032102 [1,1,0,0,0,0|2,0,0]=4 2583 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000032102 [1,1,0,0,0,0|2,0,0]=4 2584 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 11a_100020643023_100016258244 [1,1,0,0,0,0|1,0,0]=3 2585 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020643023_100016258244 [1,1,0,0,0,0|1,0,0]=3 2586 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020643023_100016258244 [1,1,0,0,0,0|1,0,0]=3 2587 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 11a_100020643023_100000690095 [1,1,0,0,0,0|1,0,0]=3 2588 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 1626a_100020643023_100000690095 [1,1,0,0,0,0|1,0,0]=3 2589 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 240690a_100020643023_100000690095 [1,1,0,0,0,0|1,0,0]=3 2590 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020643023_100000184502 [1,1,0,0,0,0|1,0,0]=3 2591 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020643023_100000184502 [1,1,0,0,0,0|1,0,0]=3 2592 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020643023_100000184502 [1,1,0,0,0,0|1,0,0]=3 2593 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 11a_100020643023_100000718793 [1,1,0,0,0,0|1,0,0]=3 2594 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 1626a_100020643023_100000718793 [1,1,0,0,0,0|1,0,0]=3 2595 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 240690a_100020643023_100000718793 [1,1,0,0,0,0|1,0,0]=3 2596 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 11a_100020643023_100020647043 [1,1,0,0,0,0|1,0,0]=3 2597 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 1626a_100020643023_100020647043 [1,1,0,0,0,0|1,0,0]=3 2598 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 240690a_100020643023_100020647043 [1,1,0,0,0,0|1,0,0]=3 2599 B15R1.127 CCCOC(=O)CNc1cccc(c1)Br 34a_100000210019_200011215008 [1,1,0,0,0,0|1,0,1]=4 2600 B15R1.127 CCCOC(=O)CNc1cccc(c1)C 2230a_100000188690_200011215008 [1,1,0,0,0,0|1,0,1]=4 2601 B15R1.127 CCCOC(=O)CNc1cccc(c1)C 34a_100000188690_200011215008 [1,1,0,0,0,0|1,0,1]=4 2602 B15R1.127 CCCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_200011215008 [1,1,0,0,0,0|1,0,1]=4 2603 B15R1.127 CCCOC(=O)CNc1cccc(c1)F 34a_100000210047_200011215008 [1,1,0,0,0,0|1,0,1]=4 2604 B15R1.127 CCCOC(=O)CNc1cccc(c1)I 34a_100000211102_200011215008 [1,1,0,0,0,0|1,0,1]=4 2605 B15R1.127 CCCOC(=O)CNc1cccc(c1)O 34a_100000210217_200011215008 [1,1,0,0,0,0|1,0,1]=4 2606 B15R1.127 CCCOC(=O)COc1cccc(c1)Br 34a_100000210342_200011215008 [1,1,0,0,0,0|1,0,1]=4 2607 B15R1.127 CCCOC(=O)COc1cccc(c1)Br 7a_100000210342_200011215008 [1,1,0,0,0,0|1,0,1]=4 2608 B15R1.127 CCCOC(=O)COc1cccc(c1)C 34a_100000210337_200011215008 [1,1,0,0,0,0|1,0,1]=4 2609 B15R1.127 CCCOC(=O)COc1cccc(c1)C 7a_100000210337_200011215008 [1,1,0,0,0,0|1,0,1]=4 2610 B15R1.127 CCCOC(=O)COc1cccc(c1)Cl 34a_100000210295_200011215008 [1,1,0,0,0,0|1,0,1]=4 2611 B15R1.127 CCCOC(=O)COc1cccc(c1)Cl 7a_100000210295_200011215008 [1,1,0,0,0,0|1,0,1]=4 2612 B15R1.127 CCCOC(=O)COc1cccc(c1)F 34a_100000210426_200011215008 [1,1,0,0,0,0|1,0,1]=4 2613 B15R1.127 CCCOC(=O)COc1cccc(c1)F 7a_100000210426_200011215008 [1,1,0,0,0,0|1,0,1]=4 2614 B15R1.127 CCCOC(=O)COc1cccc(c1)I 34a_100000211634_200011215008 [1,1,0,0,0,0|1,0,1]=4 2615 B15R1.127 CCCOC(=O)COc1cccc(c1)I 7a_100000211634_200011215008 [1,1,0,0,0,0|1,0,1]=4 2616 B15R1.127 CCCOC(=O)COc1cccc(c1)N 34a_100000210217_200011215008 [1,1,0,0,0,0|1,0,1]=4 2617 B15R1.127 CCCOC(=O)CSc1cccc(c1)Br 62a_100000691529_200011215008 [1,1,0,0,0,0|1,0,1]=4 2618 B15R1.127 CCCOC(=O)CSc1cccc(c1)Br 62a_200011215008_100000691529 [1,1,0,0,0,0|1,0,1]=4 2619 B15R1.127 CCCOC(=O)CSc1cccc(c1)C 62a_100011215228_200011215008 [1,1,0,0,0,0|1,0,1]=4 2620 B15R1.127 CCCOC(=O)CSc1cccc(c1)C 62a_200011215008_100011215228 [1,1,0,0,0,0|1,0,1]=4 2621 B15R1.127 CCCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_200011215008 [1,1,0,0,0,0|1,0,1]=4 2622 B15R1.127 CCCOC(=O)CSc1cccc(c1)Cl 62a_200011215008_100000699651 [1,1,0,0,0,0|1,0,1]=4 2623 B15R1.127 CCCOC(=O)CSc1cccc(c1)F 62a_100000685547_200011215008 [1,1,0,0,0,0|1,0,1]=4 2624 B15R1.127 CCCOC(=O)CSc1cccc(c1)F 62a_200011215008_100000685547 [1,1,0,0,0,0|1,0,1]=4 2625 B15R1.127 CCCOC(=O)CSc1cccc(c1)N 62a_100000210019_200011215008 [1,1,0,0,0,0|1,0,1]=4 2626 B15R1.127 CCCOC(=O)CSc1cccc(c1)N 62a_200011215008_100000210019 [1,1,0,0,0,0|1,0,1]=4 2627 B15R1.127 CCCOC(=O)CSc1cccc(c1)O 62a_200011215008_100000211634 [1,1,0,0,0,0|1,0,1]=4 2628 B15R1.127 CCCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_200011215008 [1,1,0,0,0,0|1,0,1]=4 2629 B15R1.127 CCCOC(=O)CSc1cccc(c1)[S] 62a_200011215008_114929384022 [1,1,0,0,0,0|1,0,1]=4 2630 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Br 22a_100000756455_100016258244 [1,1,0,0,0,0|2,0,0]=4 2631 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)C 22a_100000756455_100000690095 [1,1,0,0,0,0|2,0,0]=4 2632 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000756455_100000184502 [1,1,0,0,0,0|2,0,0]=4 2633 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)F 22a_100000756455_100000718793 [1,1,0,0,0,0|2,0,0]=4 2634 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)I 22a_100000756455_100020647043 [1,1,0,0,0,0|2,0,0]=4 2635 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)O 22a_100000756455_100102525460 [1,1,0,0,0,0|2,0,0]=4 2636 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000209952 [1,1,0,0,0,0|2,0,0]=4 2637 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000209952 [1,1,0,0,0,0|2,0,0]=4 2638 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000209952 [1,1,0,0,0,0|2,0,0]=4 2639 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216171 [1,1,0,0,0,0|2,0,0]=4 2640 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216171 [1,1,0,0,0,0|2,0,0]=4 2641 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216171 [1,1,0,0,0,0|2,0,0]=4 2642 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000233755 [1,1,0,0,0,0|2,0,0]=4 2643 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000742357 [1,1,0,0,0,0|2,0,0]=4 2644 B15R1.127 COCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000233755 [1,1,0,0,0,0|2,0,0]=4 2645 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000233755 [1,1,0,0,0,0|2,0,0]=4 2646 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000233755 [1,1,0,0,0,0|2,0,0]=4 2647 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000742357 [1,1,0,0,0,0|2,0,0]=4 2648 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000233755 [1,1,0,0,0,0|2,0,0]=4 2649 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000742357 [1,1,0,0,0,0|2,0,0]=4 2650 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000751147 [1,1,0,0,0,0|2,0,0]=4 2651 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011217047 [1,1,0,0,0,0|2,0,0]=4 2652 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000751147 [1,1,0,0,0,0|2,0,0]=4 2653 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000751147 [1,1,0,0,0,0|2,0,0]=4 2654 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000751147 [1,1,0,0,0,0|2,0,0]=4 2655 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011217047 [1,1,0,0,0,0|2,0,0]=4 2656 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000751147 [1,1,0,0,0,0|2,0,0]=4 2657 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011217047 [1,1,0,0,0,0|2,0,0]=4 2658 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCF 1458a_100000690095_100011934791 [1,1,0,0,0,0|2,0,0]=4 2659 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCO 1458a_100000690095_100011215043 [1,1,0,0,0,0|2,0,0]=4 2660 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 11a_100000724931_100000690095 [1,1,0,0,0,0|2,0,0]=4 2661 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 1626a_100000724931_100000690095 [1,1,0,0,0,0|2,0,0]=4 2662 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 240690a_100000724931_100000690095 [1,1,0,0,0,0|2,0,0]=4 2663 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCO 240690a_100000210304_100000690095 [1,1,0,0,0,0|2,0,0]=4 2664 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCBr 6a_100000210085_100000685027 [1,1,0,0,0,0|2,0,0]=4 2665 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCCl 6a_100000210085_100011215641 [1,1,0,0,0,0|2,0,0]=4 2666 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCF 1458a_100016258244_100011934791 [1,1,0,0,0,0|2,0,0]=4 2667 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCO 1458a_100016258244_100011215043 [1,1,0,0,0,0|2,0,0]=4 2668 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 11a_100000724931_100016258244 [1,1,0,0,0,0|2,0,0]=4 2669 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 1626a_100000724931_100016258244 [1,1,0,0,0,0|2,0,0]=4 2670 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 240690a_100000724931_100016258244 [1,1,0,0,0,0|2,0,0]=4 2671 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCO 240690a_100000210304_100016258244 [1,1,0,0,0,0|2,0,0]=4 2672 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCF 1458a_100000184502_100011934791 [1,1,0,0,0,0|2,0,0]=4 2673 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCO 1458a_100000184502_100011215043 [1,1,0,0,0,0|2,0,0]=4 2674 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 11a_100000724931_100000184502 [1,1,0,0,0,0|2,0,0]=4 2675 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 1626a_100000724931_100000184502 [1,1,0,0,0,0|2,0,0]=4 2676 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100000184502 [1,1,0,0,0,0|2,0,0]=4 2677 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000184502 [1,1,0,0,0,0|2,0,0]=4 2678 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCBr 6a_100000210812_100000685027 [1,1,0,0,0,0|2,0,0]=4 2679 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCCl 6a_100000210812_100011215641 [1,1,0,0,0,0|2,0,0]=4 2680 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCF 1458a_100000718793_100011934791 [1,1,0,0,0,0|2,0,0]=4 2681 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCO 1458a_100000718793_100011215043 [1,1,0,0,0,0|2,0,0]=4 2682 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 11a_100000724931_100000718793 [1,1,0,0,0,0|2,0,0]=4 2683 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 1626a_100000724931_100000718793 [1,1,0,0,0,0|2,0,0]=4 2684 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 240690a_100000724931_100000718793 [1,1,0,0,0,0|2,0,0]=4 2685 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCO 240690a_100000210304_100000718793 [1,1,0,0,0,0|2,0,0]=4 2686 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCBr 6a_100000014684_100000685027 [1,1,0,0,0,0|2,0,0]=4 2687 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCCl 6a_100000014684_100011215641 [1,1,0,0,0,0|2,0,0]=4 2688 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCF 1458a_100020647043_100011934791 [1,1,0,0,0,0|2,0,0]=4 2689 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCO 1458a_100020647043_100011215043 [1,1,0,0,0,0|2,0,0]=4 2690 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 11a_100000724931_100020647043 [1,1,0,0,0,0|2,0,0]=4 2691 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 1626a_100000724931_100020647043 [1,1,0,0,0,0|2,0,0]=4 2692 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 240690a_100000724931_100020647043 [1,1,0,0,0,0|2,0,0]=4 2693 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCO 240690a_100000210304_100020647043 [1,1,0,0,0,0|2,0,0]=4 2694 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210211 [1,1,0,0,0,0|1,0,0]=3 2695 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000032102 [1,1,0,0,0,0|1,0,0]=3 2696 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210211 [1,1,0,0,0,0|1,0,0]=3 2697 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210211 [1,1,0,0,0,0|1,0,0]=3 2698 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210211 [1,1,0,0,0,0|1,0,0]=3 2699 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000032102 [1,1,0,0,0,0|1,0,0]=3 2700 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210211 [1,1,0,0,0,0|1,0,0]=3 2701 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000032102 [1,1,0,0,0,0|1,0,0]=3 2702 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000032102 [1,1,0,0,0,0|2,0,0]=4 2703 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210211 [1,1,0,0,0,0|2,0,0]=4 2704 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000032102 [1,1,0,0,0,0|2,0,0]=4 2705 B15R1.139 CCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210211 [1,1,0,0,0,0|2,0,0]=4 2706 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020643023_100016267368 [1,1,0,0,0,0|1,0,0]=3 2707 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020643023_100016267368 [1,1,0,0,0,0|1,0,0]=3 2708 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 11a_100020643023_100000716854 [1,1,0,0,0,0|1,0,0]=3 2709 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020643023_100000716854 [1,1,0,0,0,0|1,0,0]=3 2710 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020643023_100000716854 [1,1,0,0,0,0|1,0,0]=3 2711 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020643023_100000184863 [1,1,0,0,0,0|1,0,0]=3 2712 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020643023_100000184863 [1,1,0,0,0,0|1,0,0]=3 2713 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020643023_100000184863 [1,1,0,0,0,0|1,0,0]=3 2714 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 11a_100020643023_100000182136 [1,1,0,0,0,0|1,0,0]=3 2715 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020643023_100000182136 [1,1,0,0,0,0|1,0,0]=3 2716 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020643023_100000182136 [1,1,0,0,0,0|1,0,0]=3 2717 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 11a_100020643023_100102526154 [1,1,0,0,0,0|1,0,0]=3 2718 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020643023_100102526154 [1,1,0,0,0,0|1,0,0]=3 2719 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020643023_100102526154 [1,1,0,0,0,0|1,0,0]=3 2720 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020643023_100016269017 [1,1,0,0,0,0|1,0,0]=3 2721 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 11a_100020643023_100020630499 [1,1,0,0,0,0|2,0,0]=4 2722 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100020643023_100020630499 [1,1,0,0,0,0|2,0,0]=4 2723 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100020643023_100020630499 [1,1,0,0,0,0|2,0,0]=4 2724 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100020643023_100020588214 [1,1,0,0,0,0|2,0,0]=4 2725 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020643023_100020588214 [1,1,0,0,0,0|2,0,0]=4 2726 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020643023_100020588214 [1,1,0,0,0,0|2,0,0]=4 2727 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_200011215008 [1,1,0,0,0,0|1,0,1]=4 2728 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_200011215008 [1,1,0,0,0,0|1,0,1]=4 2729 B15R1.139 CCCOC(=O)CNc1ccc(cc1)C 34a_100000124888_200011215008 [1,1,0,0,0,0|1,0,1]=4 2730 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_200011215008 [1,1,0,0,0,0|1,0,1]=4 2731 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_200011215008 [1,1,0,0,0,0|1,0,1]=4 2732 B15R1.139 CCCOC(=O)CNc1ccc(cc1)F 34a_100000185862_200011215008 [1,1,0,0,0,0|1,0,1]=4 2733 B15R1.139 CCCOC(=O)CNc1ccc(cc1)I 34a_100000185761_200011215008 [1,1,0,0,0,0|1,0,1]=4 2734 B15R1.139 CCCOC(=O)CNc1ccc(cc1)O 34a_100000185829_200011215008 [1,1,0,0,0,0|1,0,1]=4 2735 B15R1.139 CCCOC(=O)COc1ccc(cc1)Br 34a_100000185759_200011215008 [1,1,0,0,0,0|1,0,1]=4 2736 B15R1.139 CCCOC(=O)COc1ccc(cc1)Br 7a_100000185759_200011215008 [1,1,0,0,0,0|1,0,1]=4 2737 B15R1.139 CCCOC(=O)COc1ccc(cc1)C 34a_100000210336_200011215008 [1,1,0,0,0,0|1,0,1]=4 2738 B15R1.139 CCCOC(=O)COc1ccc(cc1)C 7a_100000210336_200011215008 [1,1,0,0,0,0|1,0,1]=4 2739 B15R1.139 CCCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_200011215008 [1,1,0,0,0,0|1,0,1]=4 2740 B15R1.139 CCCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_200011215008 [1,1,0,0,0,0|1,0,1]=4 2741 B15R1.139 CCCOC(=O)COc1ccc(cc1)F 34a_100000210339_200011215008 [1,1,0,0,0,0|1,0,1]=4 2742 B15R1.139 CCCOC(=O)COc1ccc(cc1)I 34a_100000212066_200011215008 [1,1,0,0,0,0|1,0,1]=4 2743 B15R1.139 CCCOC(=O)COc1ccc(cc1)I 7a_100000212066_200011215008 [1,1,0,0,0,0|1,0,1]=4 2744 B15R1.139 CCCOC(=O)COc1ccc(cc1)N 34a_100000185829_200011215008 [1,1,0,0,0,0|1,0,1]=4 2745 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_200011215008 [1,1,0,0,0,0|1,0,1]=4 2746 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Br 62a_200011215008_100000752885 [1,1,0,0,0,0|1,0,1]=4 2747 B15R1.139 CCCOC(=O)CSc1ccc(cc1)C 62a_100000186775_200011215008 [1,1,0,0,0,0|1,0,1]=4 2748 B15R1.139 CCCOC(=O)CSc1ccc(cc1)C 62a_200011215008_100000186775 [1,1,0,0,0,0|1,0,1]=4 2749 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_200011215008 [1,1,0,0,0,0|1,0,1]=4 2750 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Cl 62a_200011215008_100000755918 [1,1,0,0,0,0|1,0,1]=4 2751 B15R1.139 CCCOC(=O)CSc1ccc(cc1)F 62a_100000211213_200011215008 [1,1,0,0,0,0|1,0,1]=4 2752 B15R1.139 CCCOC(=O)CSc1ccc(cc1)F 62a_200011215008_100000211213 [1,1,0,0,0,0|1,0,1]=4 2753 B15R1.139 CCCOC(=O)CSc1ccc(cc1)N 62a_100000185761_200011215008 [1,1,0,0,0,0|1,0,1]=4 2754 B15R1.139 CCCOC(=O)CSc1ccc(cc1)N 62a_200011215008_100000185761 [1,1,0,0,0,0|1,0,1]=4 2755 B15R1.139 CCCOC(=O)CSc1ccc(cc1)O 62a_200011215008_100000185759 [1,1,0,0,0,0|1,0,1]=4 2756 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000756455_100016267368 [1,1,0,0,0,0|2,0,0]=4 2757 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)C 22a_100000756455_100000716854 [1,1,0,0,0,0|2,0,0]=4 2758 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000756455_100000184863 [1,1,0,0,0,0|2,0,0]=4 2759 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)F 22a_100000756455_100000182136 [1,1,0,0,0,0|2,0,0]=4 2760 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)I 22a_100000756455_100102526154 [1,1,0,0,0,0|2,0,0]=4 2761 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)O 22a_100000756455_100016269017 [1,1,0,0,0,0|2,0,0]=4 2762 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000209952 [1,1,0,0,0,0|2,0,0]=4 2763 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000209952 [1,1,0,0,0,0|2,0,0]=4 2764 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000209952 [1,1,0,0,0,0|2,0,0]=4 2765 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216171 [1,1,0,0,0,0|2,0,0]=4 2766 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216171 [1,1,0,0,0,0|2,0,0]=4 2767 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216171 [1,1,0,0,0,0|2,0,0]=4 2768 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000233755 [1,1,0,0,0,0|2,0,0]=4 2769 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000742357 [1,1,0,0,0,0|2,0,0]=4 2770 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000233755 [1,1,0,0,0,0|2,0,0]=4 2771 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000233755 [1,1,0,0,0,0|2,0,0]=4 2772 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000233755 [1,1,0,0,0,0|2,0,0]=4 2773 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000742357 [1,1,0,0,0,0|2,0,0]=4 2774 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000233755 [1,1,0,0,0,0|2,0,0]=4 2775 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000742357 [1,1,0,0,0,0|2,0,0]=4 2776 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000751147 [1,1,0,0,0,0|2,0,0]=4 2777 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011217047 [1,1,0,0,0,0|2,0,0]=4 2778 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000751147 [1,1,0,0,0,0|2,0,0]=4 2779 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000751147 [1,1,0,0,0,0|2,0,0]=4 2780 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000751147 [1,1,0,0,0,0|2,0,0]=4 2781 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011217047 [1,1,0,0,0,0|2,0,0]=4 2782 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000751147 [1,1,0,0,0,0|2,0,0]=4 2783 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011217047 [1,1,0,0,0,0|2,0,0]=4 2784 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCF 1458a_100000716854_100011934791 [1,1,0,0,0,0|2,0,0]=4 2785 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCO 1458a_100000716854_100011215043 [1,1,0,0,0,0|2,0,0]=4 2786 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000716854 [1,1,0,0,0,0|2,0,0]=4 2787 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000716854 [1,1,0,0,0,0|2,0,0]=4 2788 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100000716854 [1,1,0,0,0,0|2,0,0]=4 2789 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100000716854 [1,1,0,0,0,0|2,0,0]=4 2790 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCBr 6a_100000186029_100000685027 [1,1,0,0,0,0|2,0,0]=4 2791 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCCl 6a_100000186029_100011215641 [1,1,0,0,0,0|2,0,0]=4 2792 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCF 1458a_100016267368_100011934791 [1,1,0,0,0,0|2,0,0]=4 2793 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCO 1458a_100016267368_100011215043 [1,1,0,0,0,0|2,0,0]=4 2794 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 11a_100000724931_100016267368 [1,1,0,0,0,0|2,0,0]=4 2795 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 1626a_100000724931_100016267368 [1,1,0,0,0,0|2,0,0]=4 2796 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCF 1458a_100000184863_100011934791 [1,1,0,0,0,0|2,0,0]=4 2797 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCO 1458a_100000184863_100011215043 [1,1,0,0,0,0|2,0,0]=4 2798 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 11a_100000724931_100000184863 [1,1,0,0,0,0|2,0,0]=4 2799 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 1626a_100000724931_100000184863 [1,1,0,0,0,0|2,0,0]=4 2800 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000184863 [1,1,0,0,0,0|2,0,0]=4 2801 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000184863 [1,1,0,0,0,0|2,0,0]=4 2802 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCBr 6a_100000210084_100000685027 [1,1,0,0,0,0|2,0,0]=4 2803 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCCl 6a_100000210084_100011215641 [1,1,0,0,0,0|2,0,0]=4 2804 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCF 1458a_100000182136_100011934791 [1,1,0,0,0,0|2,0,0]=4 2805 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCO 1458a_100000182136_100011215043 [1,1,0,0,0,0|2,0,0]=4 2806 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 11a_100000724931_100000182136 [1,1,0,0,0,0|2,0,0]=4 2807 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 1626a_100000724931_100000182136 [1,1,0,0,0,0|2,0,0]=4 2808 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000182136 [1,1,0,0,0,0|2,0,0]=4 2809 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000182136 [1,1,0,0,0,0|2,0,0]=4 2810 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCBr 6a_100000188517_100000685027 [1,1,0,0,0,0|2,0,0]=4 2811 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCCl 6a_100000188517_100011215641 [1,1,0,0,0,0|2,0,0]=4 2812 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCF 1458a_100102526154_100011934791 [1,1,0,0,0,0|2,0,0]=4 2813 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCO 1458a_100102526154_100011215043 [1,1,0,0,0,0|2,0,0]=4 2814 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 11a_100000724931_100102526154 [1,1,0,0,0,0|2,0,0]=4 2815 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 1626a_100000724931_100102526154 [1,1,0,0,0,0|2,0,0]=4 2816 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 240690a_100000724931_100102526154 [1,1,0,0,0,0|2,0,0]=4 2817 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCO 240690a_100000210304_100102526154 [1,1,0,0,0,0|2,0,0]=4 2818 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCF 240690a_100000724931_100016269017 [1,1,0,0,0,0|2,0,0]=4 2819 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCO 240690a_100000210304_100016269017 [1,1,0,0,0,0|2,0,0]=4 2820 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCF 1458a_100016990649_100011934791 [1,1,0,0,0,0|2,0,0]=4 2821 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCO 1458a_100016990649_100011215043 [1,1,0,0,0,0|2,0,0]=4 2822 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 11a_100000724931_100016990649 [1,1,0,0,0,0|2,0,0]=4 2823 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 1626a_100000724931_100016990649 [1,1,0,0,0,0|2,0,0]=4 2824 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 527a_100000724931_100016990649 [1,1,0,0,0,0|2,0,0]=4 2825 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCO 527a_100000210304_100016990649 [1,1,0,0,0,0|2,0,0]=4 2826 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 11a_100020643023_100000066491 [1,1,0,0,0,0|1,0,1]=4 2827 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 1626a_100020643023_100000066491 [1,1,0,0,0,0|1,0,1]=4 2828 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210211 [1,1,0,0,0,0|1,0,0]=3 2829 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210211 [1,1,0,0,0,0|1,0,0]=3 2830 B15R1.551 CCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210211 [1,1,0,0,0,0|2,0,0]=4 2831 B15R1.551 CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210211 [1,1,0,0,0,0|1,0,0]=3 2832 B15R1.551 CCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210211 [1,1,0,0,0,0|2,0,0]=4 2833 B15R1.551 CCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210211 [1,1,0,0,0,0|2,0,0]=4 2834 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020643023_100016990649 [1,1,0,0,0,0|1,0,0]=3 2835 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020643023_100016990649 [1,1,0,0,0,0|1,0,0]=3 2836 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020643023_100016990649 [1,1,0,0,0,0|1,0,0]=3 2837 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 2838 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 2839 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 2840 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 2841 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 11a_100020643023_100025712827 [1,1,0,0,0,0|2,0,0]=4 2842 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020643023_100025712827 [1,1,0,0,0,0|2,0,0]=4 2843 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 527a_100020643023_100025712827 [1,1,0,0,0,0|2,0,0]=4 2844 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020643023_100020889036 [1,1,0,0,0,0|1,0,0]=3 2845 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020643023_100020889036 [1,1,0,0,0,0|1,0,0]=3 2846 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 11a_100020643023_100000731744 [1,1,0,0,0,0|2,0,0]=4 2847 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 240690a_100020643023_100000731744 [1,1,0,0,0,0|2,0,0]=4 2848 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 527a_100020643023_100000731744 [1,1,0,0,0,0|2,0,0]=4 2849 B15R1.551 CCCNC(=O)C(=O)Cc1ccccc1 1458a_200011297150_100015291786 [1,1,0,0,0,0|1,0,1]=4 2850 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297150 [1,1,0,0,0,0|2,0,0]=4 2851 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297150 [1,1,0,0,0,0|2,0,0]=4 2852 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 240690a_100020643023_100000738435 [1,1,0,0,0,0|2,0,0]=4 2853 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297150 [1,1,0,0,0,0|2,0,0]=4 2854 B15R1.551 CCCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100000760410 [1,1,0,0,0,0|1,0,1]=4 2855 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100000760410 [1,1,0,0,0,0|1,0,1]=4 2856 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100000760410 [1,1,0,0,0,0|1,0,1]=4 2857 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100000760410 [1,1,0,0,0,0|1,0,1]=4 2858 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000760410_100000041952 [1,1,0,0,0,0|1,0,1]=4 2859 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000756455_100016990649 [1,1,0,0,0,0|2,0,0]=4 2860 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000756455_200020598536 [1,1,0,0,0,0|2,0,0]=4 2861 B15R1.551 CCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000756455_100020889036 [1,1,0,0,0,0|2,0,0]=4 2862 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000233755 [1,1,0,0,0,0|2,0,0]=4 2863 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000233755 [1,1,0,0,0,0|2,0,0]=4 2864 B15R1.551 COCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000233755 [1,1,0,0,0,0|2,0,0]=4 2865 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000751147 [1,1,0,0,0,0|2,0,0]=4 2866 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000751147 [1,1,0,0,0,0|2,0,0]=4 2867 B15R1.551 CSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000751147 [1,1,0,0,0,0|2,0,0]=4 2868 B15R1.551 O=C(CCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011934791 [1,1,0,0,0,0|2,0,0]=4 2869 B15R1.551 O=C(CCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011934791 [1,1,0,0,0,0|2,0,0]=4 2870 B15R1.551 O=C(CCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215043 [1,1,0,0,0,0|2,0,0]=4 2871 B15R1.551 O=C(CCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215043 [1,1,0,0,0,0|2,0,0]=4 2872 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 11a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 2873 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 1626a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 2874 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 240690a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 2875 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 527a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 2876 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 11a_100000724931_100020889036 [1,1,0,0,0,0|2,0,0]=4 2877 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 527a_100000724931_100020889036 [1,1,0,0,0,0|2,0,0]=4 2878 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 240690a_100000210304_200020598536 [1,1,0,0,0,0|2,0,0]=4 2879 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 527a_100000210304_200020598536 [1,1,0,0,0,0|2,0,0]=4 2880 B15R1.551 O=C(NCCO)/C(=C\c1ccccc1)/F 527a_100000210304_100020889036 [1,1,0,0,0,0|2,0,0]=4 2881 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747405 [1,1,0,0,0,0|1,0,1]=4 2882 B15R1.741 CCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748023 [1,1,0,0,0,0|1,0,0]=3 2883 B15R1.741 CCC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748023 [1,1,0,0,0,0|2,0,0]=4 2884 B15R1.741 CCC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748023 [1,1,0,0,0,0|2,0,0]=4 2885 B15R1.741 CCC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748023 [1,1,0,0,0,0|2,0,0]=4 2886 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 11a_100000209981_100000210462 [1,1,0,0,0,0|1,0,0]=3 2887 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 1626a_100000209981_100000210462 [1,1,0,0,0,0|1,0,0]=3 2888 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 11a_100000209981_100000740811 [1,1,0,0,0,0|2,0,0]=4 2889 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 240690a_100000209981_100000740811 [1,1,0,0,0,0|2,0,0]=4 2890 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 11a_100000209981_100000735890 [1,1,0,0,0,0|2,0,0]=4 2891 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 240690a_100000209981_100000735890 [1,1,0,0,0,0|2,0,0]=4 2892 B15R1.741 CCC(C)NC(=O)C=Cc1ccncc1 240690a_100000209981_100000682801 [1,1,0,0,0,0|2,0,0]=4 2893 B15R1.741 CCC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218378 [1,1,0,0,0,0|1,0,0]=3 2894 B15R1.741 CCC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218378 [1,1,0,0,0,0|2,0,0]=4 2895 B15R1.741 CCC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218378 [1,1,0,0,0,0|2,0,0]=4 2896 B15R1.741 CCC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218378 [1,1,0,0,0,0|2,0,0]=4 2897 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009816398 [1,1,0,0,0,0|1,0,0]=3 2898 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100009816398 [1,1,0,0,0,0|2,0,0]=4 2899 B15R1.741 CC[C@H](C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100009816398 [1,1,0,0,0,0|2,0,0]=4 2900 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100009816398 [1,1,0,0,0,0|2,0,0]=4 2901 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000059175 [1,1,0,0,0,0|2,0,0]=4 2902 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 11a_100102880703_100000210462 [1,1,0,0,0,0|2,0,0]=4 2903 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 1626a_100102880703_100000210462 [1,1,0,0,0,0|2,0,0]=4 2904 B15R1.826 CC(CCO)C(=O)C=Cc1ccccc1 1458a_100000210462_100009893172 [1,1,0,0,0,0|2,0,0]=4 2905 B15R1.826 CCCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000766640 [1,1,0,0,0,0|1,0,0]=3 2906 B15R1.826 CCCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000766640 [1,1,0,0,0,0|2,0,0]=4 2907 B15R1.826 CCCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000766640 [1,1,0,0,0,0|2,0,0]=4 2908 B15R1.826 CCCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000766640 [1,1,0,0,0,0|2,0,0]=4 2909 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 11a_100000747261_100000210462 [1,1,0,0,0,0|1,0,0]=3 2910 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 1626a_100000747261_100000210462 [1,1,0,0,0,0|1,0,0]=3 2911 B15R1.826 CCCN(C)C(=O)C=Cc1ccccn1 11a_100000747261_100000740811 [1,1,0,0,0,0|2,0,0]=4 2912 B15R1.826 CCCN(C)C(=O)C=Cc1ccccn1 240690a_100000747261_100000740811 [1,1,0,0,0,0|2,0,0]=4 2913 B15R1.826 CCCN(C)C(=O)C=Cc1cccnc1 11a_100000747261_100000735890 [1,1,0,0,0,0|2,0,0]=4 2914 B15R1.826 CCCN(C)C(=O)C=Cc1cccnc1 240690a_100000747261_100000735890 [1,1,0,0,0,0|2,0,0]=4 2915 B15R1.826 CCCN(C)C(=O)C=Cc1ccncc1 240690a_100000747261_100000682801 [1,1,0,0,0,0|2,0,0]=4 2916 B15R1.826 COCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000765312 [1,1,0,0,0,0|2,0,0]=4 2917 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210211 [1,1,0,0,0,0|1,0,0]=3 2918 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210211 [1,1,0,0,0,0|1,0,0]=3 2919 B15R1.1208 CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210211 [1,1,0,0,0,0|1,0,0]=3 2920 B15R1.1208 CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210211 [1,1,0,0,0,0|1,0,0]=3 2921 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 11a_100020643023_100000719032 [1,1,0,0,0,0|1,0,0]=3 2922 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 1626a_100020643023_100000719032 [1,1,0,0,0,0|1,0,0]=3 2923 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 240690a_100020643023_100000719032 [1,1,0,0,0,0|1,0,0]=3 2924 B15R1.1208 CCCNC(=O)C=Cc1ccccc1C 1626a_100020643023_100016266485 [1,1,0,0,0,0|1,0,0]=3 2925 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 11a_100020643023_100000720304 [1,1,0,0,0,0|1,0,0]=3 2926 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 1626a_100020643023_100000720304 [1,1,0,0,0,0|1,0,0]=3 2927 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 240690a_100020643023_100000720304 [1,1,0,0,0,0|1,0,0]=3 2928 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 11a_100020643023_100016256065 [1,1,0,0,0,0|1,0,0]=3 2929 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 1626a_100020643023_100016256065 [1,1,0,0,0,0|1,0,0]=3 2930 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 240690a_100020643023_100016256065 [1,1,0,0,0,0|1,0,0]=3 2931 B15R1.1208 CCCOC(=O)CNc1ccccc1Br 34a_100000210017_200011215008 [1,1,0,0,0,0|1,0,1]=4 2932 B15R1.1208 CCCOC(=O)CNc1ccccc1C 34a_100015192222_200011215008 [1,1,0,0,0,0|1,0,1]=4 2933 B15R1.1208 CCCOC(=O)CNc1ccccc1Cl 34a_100000185783_200011215008 [1,1,0,0,0,0|1,0,1]=4 2934 B15R1.1208 CCCOC(=O)CNc1ccccc1F 34a_100000210422_200011215008 [1,1,0,0,0,0|1,0,1]=4 2935 B15R1.1208 CCCOC(=O)CNc1ccccc1I 34a_100000210053_200011215008 [1,1,0,0,0,0|1,0,1]=4 2936 B15R1.1208 CCCOC(=O)CNc1ccccc1O 34a_100000185747_200011215008 [1,1,0,0,0,0|1,0,1]=4 2937 B15R1.1208 CCCOC(=O)COc1ccccc1Br 34a_100000181306_200011215008 [1,1,0,0,0,0|1,0,1]=4 2938 B15R1.1208 CCCOC(=O)COc1ccccc1Br 7a_100000181306_200011215008 [1,1,0,0,0,0|1,0,1]=4 2939 B15R1.1208 CCCOC(=O)COc1ccccc1C 34a_100000210338_200011215008 [1,1,0,0,0,0|1,0,1]=4 2940 B15R1.1208 CCCOC(=O)COc1ccccc1C 7a_100000210338_200011215008 [1,1,0,0,0,0|1,0,1]=4 2941 B15R1.1208 CCCOC(=O)COc1ccccc1Cl 34a_100000210172_200011215008 [1,1,0,0,0,0|1,0,1]=4 2942 B15R1.1208 CCCOC(=O)COc1ccccc1Cl 7a_100000210172_200011215008 [1,1,0,0,0,0|1,0,1]=4 2943 B15R1.1208 CCCOC(=O)COc1ccccc1F 34a_100000210171_200011215008 [1,1,0,0,0,0|1,0,1]=4 2944 B15R1.1208 CCCOC(=O)COc1ccccc1F 7a_100000210171_200011215008 [1,1,0,0,0,0|1,0,1]=4 2945 B15R1.1208 CCCOC(=O)COc1ccccc1I 34a_100000739446_200011215008 [1,1,0,0,0,0|1,0,1]=4 2946 B15R1.1208 CCCOC(=O)COc1ccccc1I 7a_100000739446_200011215008 [1,1,0,0,0,0|1,0,1]=4 2947 B15R1.1208 CCCOC(=O)COc1ccccc1N 34a_100000185747_200011215008 [1,1,0,0,0,0|1,0,1]=4 2948 B15R1.1208 CCCOC(=O)COc1ccccc1N 7a_100000185747_200011215008 [1,1,0,0,0,0|1,0,1]=4 2949 B15R1.1208 CCCOC(=O)CSc1ccccc1Br 62a_100000695589_200011215008 [1,1,0,0,0,0|1,0,1]=4 2950 B15R1.1208 CCCOC(=O)CSc1ccccc1Br 62a_200011215008_100000695589 [1,1,0,0,0,0|1,0,1]=4 2951 B15R1.1208 CCCOC(=O)CSc1ccccc1C 62a_100000210755_200011215008 [1,1,0,0,0,0|1,0,1]=4 2952 B15R1.1208 CCCOC(=O)CSc1ccccc1C 62a_200011215008_100000210755 [1,1,0,0,0,0|1,0,1]=4 2953 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl 62a_100000764095_200011215008 [1,1,0,0,0,0|1,0,1]=4 2954 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl 62a_200011215008_100000764095 [1,1,0,0,0,0|1,0,1]=4 2955 B15R1.1208 CCCOC(=O)CSc1ccccc1F 62a_100011215700_200011215008 [1,1,0,0,0,0|1,0,1]=4 2956 B15R1.1208 CCCOC(=O)CSc1ccccc1F 62a_200011215008_100011215700 [1,1,0,0,0,0|1,0,1]=4 2957 B15R1.1208 CCCOC(=O)CSc1ccccc1N 62a_100000210017_200011215008 [1,1,0,0,0,0|1,0,1]=4 2958 B15R1.1208 CCCOC(=O)CSc1ccccc1N 62a_200011215008_100000210017 [1,1,0,0,0,0|1,0,1]=4 2959 B15R1.1208 CCCOC(=O)CSc1ccccc1O 62a_100000739446_200011215008 [1,1,0,0,0,0|1,0,1]=4 2960 B15R1.1208 CCCOC(=O)CSc1ccccc1O 62a_200011215008_100000739446 [1,1,0,0,0,0|1,0,1]=4 2961 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Br 22a_100000756455_100000719032 [1,1,0,0,0,0|2,0,0]=4 2962 B15R1.1208 CCNNC(=O)C=Cc1ccccc1C 22a_100000756455_100016266485 [1,1,0,0,0,0|2,0,0]=4 2963 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Cl 22a_100000756455_100000720304 [1,1,0,0,0,0|2,0,0]=4 2964 B15R1.1208 CCNNC(=O)C=Cc1ccccc1F 22a_100000756455_100016256065 [1,1,0,0,0,0|2,0,0]=4 2965 B15R1.1208 CCNNC(=O)C=Cc1ccccc1O 22a_100000756455_100016263591 [1,1,0,0,0,0|2,0,0]=4 2966 B15R1.1208 COCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000233755 [1,1,0,0,0,0|2,0,0]=4 2967 B15R1.1208 COCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000233755 [1,1,0,0,0,0|2,0,0]=4 2968 B15R1.1208 COCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000233755 [1,1,0,0,0,0|2,0,0]=4 2969 B15R1.1208 COCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000233755 [1,1,0,0,0,0|2,0,0]=4 2970 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000751147 [1,1,0,0,0,0|2,0,0]=4 2971 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000751147 [1,1,0,0,0,0|2,0,0]=4 2972 B15R1.1208 CSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000751147 [1,1,0,0,0,0|2,0,0]=4 2973 B15R1.1208 CSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000751147 [1,1,0,0,0,0|2,0,0]=4 2974 B15R1.1208 Cc1ccccc1C=CC(=O)NCCF 1626a_100000724931_100016266485 [1,1,0,0,0,0|2,0,0]=4 2975 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCF 1458a_100000719032_100011934791 [1,1,0,0,0,0|2,0,0]=4 2976 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCO 1458a_100000719032_100011215043 [1,1,0,0,0,0|2,0,0]=4 2977 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 11a_100000724931_100000719032 [1,1,0,0,0,0|2,0,0]=4 2978 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 1626a_100000724931_100000719032 [1,1,0,0,0,0|2,0,0]=4 2979 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 240690a_100000724931_100000719032 [1,1,0,0,0,0|2,0,0]=4 2980 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCO 240690a_100000210304_100000719032 [1,1,0,0,0,0|2,0,0]=4 2981 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCF 1458a_100000720304_100011934791 [1,1,0,0,0,0|2,0,0]=4 2982 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCO 1458a_100000720304_100011215043 [1,1,0,0,0,0|2,0,0]=4 2983 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 11a_100000724931_100000720304 [1,1,0,0,0,0|2,0,0]=4 2984 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 1626a_100000724931_100000720304 [1,1,0,0,0,0|2,0,0]=4 2985 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 240690a_100000724931_100000720304 [1,1,0,0,0,0|2,0,0]=4 2986 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCO 240690a_100000210304_100000720304 [1,1,0,0,0,0|2,0,0]=4 2987 B15R1.1208 O=C(C=Cc1ccccc1F)CCCF 1458a_100016256065_100011934791 [1,1,0,0,0,0|2,0,0]=4 2988 B15R1.1208 O=C(C=Cc1ccccc1F)CCCO 1458a_100016256065_100011215043 [1,1,0,0,0,0|2,0,0]=4 2989 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 11a_100000724931_100016256065 [1,1,0,0,0,0|2,0,0]=4 2990 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 1626a_100000724931_100016256065 [1,1,0,0,0,0|2,0,0]=4 2991 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 240690a_100000724931_100016256065 [1,1,0,0,0,0|2,0,0]=4 2992 B15R1.1208 O=C(C=Cc1ccccc1F)NCCO 240690a_100000210304_100016256065 [1,1,0,0,0,0|2,0,0]=4 2993 B15R1.1208 O=C(C=Cc1ccccc1O)CCCF 1458a_100016263591_100011934791 [1,1,0,0,0,0|2,0,0]=4 2994 B15R1.1208 O=C(C=Cc1ccccc1O)CCCO 1458a_100016263591_100011215043 [1,1,0,0,0,0|2,0,0]=4 2995 B15R1.5934 CCCNS(=O)(=O)C=Cc1ccccc1 40a_100020643023_100011098038 [1,1,0,0,0,0|2,0,0]=4 2996 B15R1.119 CC(C)CNCC=Cc1cccc(c1)Cl 270004a_100000210953_100016268971 [1,1,0,0,0,0|1,0,1]=4 2997 B15R1.119 CC(C)NN=CC=Cc1cccc(c1)Cl 4a_100000741168_100016268971 [1,1,0,0,0,0|2,0,0]=4 2998 B15R1.119 Cc1cccc(c1)C=CC=NNC(C)C 4a_100000741168_100102525846 [1,1,0,0,0,0|2,0,0]=4 2999 B15R1.119 Cc1cccc(c1)C=CCNCC(C)C 270004a_100000210953_100102525846 [1,1,0,0,0,0|1,0,1]=4 3000 B15R1.131 CC(C)CNCC=Cc1ccccc1Br 270004a_100000210953_200016268969 [1,1,0,0,0,0|1,0,1]=4 3001 B15R1.131 CC(C)CNCC=Cc1ccccc1Cl 270004a_100000210953_200102525841 [1,1,0,0,0,0|1,0,1]=4 3002 B15R1.131 CC(C)CNCC=Cc1ccccc1F 270004a_100000210953_200102525844 [1,1,0,0,0,0|1,0,1]=4 3003 B15R1.131 CC(C)NN=CC=Cc1ccccc1Br 4a_100000741168_200016268969 [1,1,0,0,0,0|2,0,0]=4 3004 B15R1.131 CC(C)NN=CC=Cc1ccccc1Cl 4a_100000741168_200102525841 [1,1,0,0,0,0|2,0,0]=4 3005 B15R1.131 CC(C)NN=CC=Cc1ccccc1F 4a_100000741168_200102525844 [1,1,0,0,0,0|2,0,0]=4 3006 B15R1.497 CC(=CC=NNC(C)C)c1ccccc1 4a_100000741168_200043867958 [1,1,0,0,0,0|2,0,0]=4 3007 B15R1.871 CC(C)CNCC=Cc1ccc(cc1)Br 270004a_100000210953_100016291818 [1,1,0,0,0,0|1,0,1]=4 3008 B15R1.871 CC(C)CNCC=Cc1ccc(cc1)Cl 270004a_100000210953_100102525842 [1,1,0,0,0,0|1,0,1]=4 3009 B15R1.871 CC(C)CNCC=Cc1ccc(cc1)F 270004a_100000210953_100016272083 [1,1,0,0,0,0|1,0,1]=4 3010 B15R1.871 CC(C)NN=CC=Cc1ccc(cc1)Br 4a_100000741168_100016291818 [1,1,0,0,0,0|2,0,0]=4 3011 B15R1.871 CC(C)NN=CC=Cc1ccc(cc1)Cl 4a_100000741168_100102525842 [1,1,0,0,0,0|2,0,0]=4 3012 B15R1.871 CC(C)NN=CC=Cc1ccc(cc1)F 4a_100000741168_100016272083 [1,1,0,0,0,0|2,0,0]=4 3013 B15R1.871 CC(C)NN=CC=Cc1ccc(cc1)O 4a_100000741168_200011996185 [1,1,0,0,0,0|2,0,0]=4 3014 B15R1.871 Cc1ccc(cc1)C=CC=NNC(C)C 4a_100000741168_100016257026 [1,1,0,0,0,0|2,0,0]=4 3015 B15R1.871 Cc1ccc(cc1)C=CCNCC(C)C 270004a_100000210953_100016257026 [1,1,0,0,0,0|1,0,1]=4 3016 B15R1.962 C=CC(C)COC/C=C/c1ccccc1 34a_100011215527_100016265936 [1,1,0,0,0,0|0,0,2]=4 3017 B15R1.962 C=CC(C)COC/C=C/c1ccccc1 7a_100011215527_100016265936 [1,1,0,0,0,0|0,0,2]=4 3018 B15R1.962 CC(CN)COC/C=C/c1ccccc1 34a_100000744482_100016265936 [1,1,0,0,0,0|0,0,1]=3 3019 B15R1.962 CC(CO)CNC/C=C/c1ccccc1 34a_100000744482_100016265936 [1,1,0,0,0,0|1,0,1]=4 3020 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020588543_100016265936 [1,1,0,0,0,0|1,0,1]=4 3021 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000748023 [1,1,0,0,0,0|1,0,1]=4 3022 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000243153 [1,1,0,0,0,0|1,0,1]=4 3023 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000748023 [1,1,0,0,0,0|1,0,1]=4 3024 B15R1.962 CCC(C)CNCC=Cc1ccccc1 270004a_100020588543_100000210105 [1,1,0,0,0,0|1,0,1]=4 3025 B15R1.962 CCC(C)COC/C=C/c1ccccc1 34a_100000210256_100000748023 [1,1,0,0,0,0|0,0,1]=3 3026 B15R1.962 CCC(C)COC/C=C/c1cccnc1 34a_200102594124_100000748023 [1,1,0,0,0,0|1,0,1]=4 3027 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100000748023_100016265936 [1,1,0,0,0,0|0,1,1]=4 3028 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000748023 [1,1,0,0,0,0|0,1,1]=4 3029 B15R1.962 CCC(C)NN=CC=Cc1ccccc1 4a_100000718999_100000210105 [1,1,0,0,0,0|2,0,0]=4 3030 B15R1.962 CCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218378 [1,1,0,0,0,0|1,0,1]=4 3031 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 2230a_100020603302_100009816398 [1,1,0,0,0,0|1,0,1]=4 3032 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 34a_100020603302_100009816398 [1,1,0,0,0,0|1,0,1]=4 3033 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 34a_100000210256_100009816398 [1,1,0,0,0,0|0,0,1]=3 3034 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 7a_100009816381_100016265936 [1,1,0,0,0,0|0,0,1]=3 3035 B15R1.962 CC[C@H](C)COC/C=C/c1cccnc1 34a_200102594124_100009816398 [1,1,0,0,0,0|1,0,1]=4 3036 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100009816398_100016265936 [1,1,0,0,0,0|0,1,1]=4 3037 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100016265936_100009816398 [1,1,0,0,0,0|0,1,1]=4 3038 B15R1.962 COC(C)COC/C=C/c1ccccc1 34a_100000690652_100016265936 [1,1,0,0,0,0|0,0,1]=3 3039 B15R1.962 CO[C@H](C)CNC/C=C/c1ccccc1 2230a_100020591295_100016265936 [1,1,0,0,0,0|1,0,1]=4 3040 B15R1.962 CO[C@H](C)CNCC=Cc1ccccc1 270004a_100020591295_100000210105 [1,1,0,0,0,0|1,0,1]=4 3041 B15R1.962 C[C@@H](CO)CNC/C=C/c1ccccc1 2230a_100020603302_100000059175 [1,1,0,0,0,0|1,0,1]=4 3042 B15R1.962 C[C@@H](CO)CNC/C=C/c1ccccc1 34a_100020603302_100000059175 [1,1,0,0,0,0|1,0,1]=4 3043 B15R1.962 C[C@@H](CO)COC/C=C/c1ccccc1 34a_100000210256_100000059175 [1,1,0,0,0,0|0,0,1]=3 3044 B15R1.962 C[C@@H](CO)COC/C=C/c1cccnc1 34a_200102594124_100000059175 [1,1,0,0,0,0|1,0,1]=4 3045 B15R1.962 C[C@@H](CO)CSC/C=C/c1ccccc1 62a_100000059175_100016265936 [1,1,0,0,0,0|0,1,1]=4 3046 B15R1.962 C[C@@H](CO)CSC/C=C/c1ccccc1 62a_100016265936_100000059175 [1,1,0,0,0,0|0,1,1]=4 3047 B15R1.962 ClCC(Cl)COC/C=C/c1ccccc1 34a_100000033668_100016265936 [1,1,0,0,0,0|1,0,1]=4 3048 B15R1.962 NC[C@@H](F)COC/C=C/c1ccccc1 34a_100015665980_100016265936 [1,1,0,0,0,0|1,0,1]=4 3049 B15R1.962 OCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011219619 [1,1,0,0,0,0|1,0,1]=4 3050 B15R1.962 OC[C@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009815848 [1,1,0,0,0,0|1,0,1]=4 3051 B15R1.962 O[C@@H](CF)COC/C=C/c1ccccc1 34a_100000210256_100015614560 [1,1,0,0,0,0|1,0,1]=4 3052 B15R1.1081 C/C(=C\c1ccccc1)/C=NNC(C)C 4a_100000741168_100016997181 [1,1,0,0,0,0|2,0,0]=4 3053 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 34a_200025717232_100000210624 [1,1,0,0,0,0|0,0,1]=3 3054 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)C 7a_200025717232_100000210760 [1,1,0,0,0,0|0,0,1]=3 3055 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)O 34a_200025717232_100011218427 [1,1,0,0,0,0|1,0,1]=4 3056 B15R1.1081 C/C(=C\c1ccccc1)/COCC(C)O 7a_200025717232_100011218427 [1,1,0,0,0,0|1,0,1]=4 3057 B15R1.1081 C/C(=C\c1ccccc1)/COC[C@@H](C)O 34a_200025717232_100009817552 [1,1,0,0,0,0|1,0,1]=4 3058 B15R1.1081 C/C(=C\c1ccccc1)/COC[C@@H](C)O 7a_200025717232_100009817552 [1,1,0,0,0,0|1,0,1]=4 3059 B15R1.1081 CC(C)COCC(=O)Cc1ccccc1 1458a_100011223364_100015291786 [1,1,0,0,0,0|0,0,2]=4 3060 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 11a_100000106764_100011223364 [1,1,0,0,0,0|1,0,1]=4 3061 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 1626a_100000106764_100011223364 [1,1,0,0,0,0|1,0,1]=4 3062 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 22a_100000106764_100011223364 [1,1,0,0,0,0|1,0,1]=4 3063 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 34a_100000210257_100000182850 [1,1,0,0,0,0|1,0,1]=4 3064 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 34a_100000246334_100000210624 [1,1,0,0,0,0|1,0,1]=4 3065 B15R1.1081 CC(C)COCC(=O)Nc1ccccc1 527a_100000106764_100011223364 [1,1,0,0,0,0|1,0,1]=4 3066 B15R1.1081 CC(C)COCC(=O)Oc1ccccc1 34a_100000210257_100009813826 [1,1,0,0,0,0|1,0,1]=4 3067 B15R1.1081 CC(C)NN=C/C(=C/c1ccccc1)/Br 4a_100000741168_100016988036 [1,1,0,0,0,0|2,0,0]=4 3068 B15R1.1081 CC(C)NN=C/C(=C\c1ccccc1)/Cl 4a_100000741168_200014065628 [1,1,0,0,0,0|2,0,0]=4 3069 B15R1.3664 CC(C)C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210206 [1,1,0,0,0,0|1,0,1]=4 3070 B15R1.3664 CC(C)C(C)NC/C=C/c1ccccc1 2230a_100000211541_100016265936 [1,1,0,0,0,0|1,0,1]=4 3071 B15R1.3664 CC(C)C(C)NCC=Cc1ccccc1 270004a_100000211541_100000210105 [1,1,0,0,0,0|1,0,1]=4 3072 B15R1.3664 CC(C)C(C)OC/C=C/c1ccccc1 7a_100000748068_100016265936 [1,1,0,0,0,0|0,0,1]=3 3073 B15R1.3890 CC(C)(C)CNC/C=C/c1ccccc1 2230a_100000743828_100016265936 [1,1,0,0,0,0|1,0,1]=4 3074 B15R1.3890 CC(C)(C)CNC/C=C/c1ccccc1 270004a_100020603302_100011204126 [1,1,0,0,0,0|1,0,1]=4 3075 B15R1.3890 CC(C)(C)CNC/C=C/c1ccccc1 34a_100020603302_100011219605 [1,1,0,0,0,0|1,0,1]=4 3076 B15R1.3890 CC(C)(C)CNCC=Cc1ccccc1 270004a_100000743828_100000210105 [1,1,0,0,0,0|1,0,1]=4 3077 B15R1.3890 CC(C)(C)COC/C=C/c1ccccc1 34a_100000210256_100011219605 [1,1,0,0,0,0|0,0,1]=3 3078 B15R1.3890 CC(C)(C)COC/C=C/c1cccnc1 34a_200102594124_100011219605 [1,1,0,0,0,0|1,0,1]=4 3079 B15R1.3890 CC(C)(C)CSC/C=C/c1ccccc1 62a_100011219605_100016265936 [1,1,0,0,0,0|0,1,1]=4 3080 B15R1.3890 CC(C)(C)CSC/C=C/c1ccccc1 62a_100016265936_100011219605 [1,1,0,0,0,0|0,1,1]=4 3081 B15R1.3890 CC(C)(C)NN=CC=Cc1ccccc1 4a_100000725372_100000210105 [1,1,0,0,0,0|2,0,0]=4 3082 B15R1.3890 CC(C)(F)CNC/C=C/c1ccccc1 2230a_100020643315_100016265936 [1,1,0,0,0,0|1,0,1]=4 3083 B15R1.3890 CC(C)(F)CNC/C=C/c1ccccc1 34a_100020603302_100011997219 [1,1,0,0,0,0|1,0,1]=4 3084 B15R1.3890 CC(C)(F)CNCC=Cc1ccccc1 270004a_100020643315_100000210105 [1,1,0,0,0,0|1,0,1]=4 3085 B15R1.3890 CC(C)(F)COC/C=C/c1ccccc1 34a_100000210256_100011997219 [1,1,0,0,0,0|0,0,1]=3 3086 B15R1.3890 CC(C)(F)COC/C=C/c1ccccc1 34a_100000716592_100016265936 [1,1,0,0,0,0|0,0,1]=3 3087 B15R1.3890 CC(C)(F)COC/C=C/c1cccnc1 34a_200102594124_100011997219 [1,1,0,0,0,0|1,0,1]=4 3088 B15R1.3890 CC(C)(F)CSC/C=C/c1ccccc1 62a_100011997219_100016265936 [1,1,0,0,0,0|0,1,1]=4 3089 B15R1.3890 CC(C)(F)CSC/C=C/c1ccccc1 62a_100016265936_100011997219 [1,1,0,0,0,0|0,1,1]=4 3090 B15R1.3890 CC(C)(O)CNC/C=C/c1ccccc1 2230a_100000751335_100016265936 [1,1,0,0,0,0|1,0,1]=4 3091 B15R1.3890 CC(C)(O)CNC/C=C/c1ccccc1 34a_100020603302_100000764493 [1,1,0,0,0,0|1,0,1]=4 3092 B15R1.3890 CC(C)(O)CNCC=Cc1ccccc1 270004a_100000751335_100000210105 [1,1,0,0,0,0|1,0,1]=4 3093 B15R1.3890 CC(C)(O)COC/C=C/c1ccccc1 34a_100000210256_100000764493 [1,1,0,0,0,0|0,0,1]=3 3094 B15R1.3890 CC(C)(O)COC/C=C/c1cccnc1 34a_200102594124_100000764493 [1,1,0,0,0,0|1,0,1]=4 3095 B15R1.3890 CC(C)(O)CSC/C=C/c1ccccc1 62a_100000764493_100016265936 [1,1,0,0,0,0|0,1,1]=4 3096 B15R1.3890 CC(C)(O)CSC/C=C/c1ccccc1 62a_100016265936_100000764493 [1,1,0,0,0,0|0,1,1]=4 3097 B15R1.3890 CC(F)(F)COC/C=C/c1ccccc1 34a_100000068830_100016265936 [1,1,0,0,0,0|1,0,1]=4 3098 B15R1.9084 CC(C)CC(=O)C/C=C/c1ccccc1 1458a_100000210554_100016265936 [1,1,0,0,0,0|1,0,1]=4 3099 B15R1.9084 CC(C)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210624 [1,1,0,0,0,0|1,0,1]=4 3100 B15R1.9084 CC(C)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000210624 [1,1,0,0,0,0|2,0,0]=4 3101 B15R1.9084 CC(C)CN(C)C/C=C/c1ccccc1 2230a_100000747067_100016265936 [1,1,0,0,0,0|1,0,1]=4 3102 B15R1.9084 CC(C)CN(C)C/C=C/c1ccccc1 269982a_100000747067_100016265936 [1,1,0,0,0,0|1,0,1]=4 3103 B15R1.9084 CC(C)CN(C)CC=Cc1ccccc1 270004a_100000747067_100000210105 [1,1,0,0,0,0|1,0,1]=4 3104 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)Br 1458a_100000181311_100000189115 [0,1,0,0,1,0|1,0,1]=4 3105 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210312 [0,1,0,0,1,0|1,0,1]=4 3106 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)Cl 1458a_100000181311_100000694040 [0,1,0,0,1,0|1,0,1]=4 3107 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210312 [0,1,0,0,1,0|1,0,1]=4 3108 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)F 1458a_100000181311_100000198546 [0,1,0,0,1,0|1,0,1]=4 3109 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210312 [0,1,0,0,1,0|1,0,1]=4 3110 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)I 1458a_100000181311_100000189116 [0,1,0,0,1,0|1,0,1]=4 3111 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210312 [0,1,0,0,1,0|1,0,1]=4 3112 B15R1.111 CC(C)CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210312 [0,1,0,0,1,0|1,0,1]=4 3113 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000181311 [0,1,0,0,1,0|2,0,0]=4 3114 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000181311 [0,1,0,0,1,0|2,0,0]=4 3115 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000181311 [0,1,0,0,1,0|2,0,0]=4 3116 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000181311 [0,1,0,0,1,0|2,0,0]=4 3117 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000181311 [0,1,0,0,1,0|2,0,0]=4 3118 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000181311 [0,1,0,0,1,0|2,0,0]=4 3119 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000181311 [0,1,0,0,1,0|2,0,0]=4 3120 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000181311 [0,1,0,0,1,0|2,0,0]=4 3121 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000181311 [0,1,0,0,1,0|2,0,0]=4 3122 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000181311 [0,1,0,0,1,0|2,0,0]=4 3123 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000181311 [0,1,0,0,1,0|2,0,0]=4 3124 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000181311 [0,1,0,0,1,0|2,0,0]=4 3125 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000181311 [0,1,0,0,1,0|2,0,0]=4 3126 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000181311 [0,1,0,0,1,0|2,0,0]=4 3127 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000181311 [0,1,0,0,1,0|2,0,0]=4 3128 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000181311 [0,1,0,0,1,0|2,0,0]=4 3129 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000181311 [0,1,0,0,1,0|2,0,0]=4 3130 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Br 11a_100000210953_100000198978 [0,1,0,0,1,0|1,0,1]=4 3131 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Br 240690a_100000210953_100000198978 [0,1,0,0,1,0|1,0,1]=4 3132 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Br 527a_100000210953_100000198978 [0,1,0,0,1,0|1,0,1]=4 3133 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl 11a_100000210953_100000211027 [0,1,0,0,1,0|1,0,1]=4 3134 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl 240690a_100000210953_100000211027 [0,1,0,0,1,0|1,0,1]=4 3135 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl 527a_100000210953_100000211027 [0,1,0,0,1,0|1,0,1]=4 3136 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)F 11a_100000210953_100000210951 [0,1,0,0,1,0|1,0,1]=4 3137 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)F 1626a_100000210953_100000210951 [0,1,0,0,1,0|1,0,1]=4 3138 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)F 240690a_100000210953_100000210951 [0,1,0,0,1,0|1,0,1]=4 3139 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)F 527a_100000210953_100000210951 [0,1,0,0,1,0|1,0,1]=4 3140 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)I 11a_100000210953_100000688869 [0,1,0,0,1,0|1,0,1]=4 3141 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)I 1626a_100000210953_100000688869 [0,1,0,0,1,0|1,0,1]=4 3142 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)I 240690a_100000210953_100000688869 [0,1,0,0,1,0|1,0,1]=4 3143 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)I 527a_100000210953_100000688869 [0,1,0,0,1,0|1,0,1]=4 3144 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)O 1626a_100000210953_100000198540 [0,1,0,0,1,0|1,0,1]=4 3145 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)O 240690a_100000210953_100000198540 [0,1,0,0,1,0|1,0,1]=4 3146 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)O 527a_100000210953_100000198540 [0,1,0,0,1,0|1,0,1]=4 3147 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000210953 [0,1,0,0,1,0|2,0,0]=4 3148 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000210953 [0,1,0,0,1,0|2,0,0]=4 3149 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000210953 [0,1,0,0,1,0|2,0,0]=4 3150 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000210953 [0,1,0,0,1,0|2,0,0]=4 3151 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000210953 [0,1,0,0,1,0|2,0,0]=4 3152 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)O 271570a_203496583355_200009814596 [0,1,0,0,1,0|2,0,0]=4 3153 B15R1.111 Cc1ccc(cc1)CC(=O)CCC(C)C 1458a_100000181311_100000210814 [0,1,0,0,1,0|1,0,1]=4 3154 B15R1.111 Cc1ccc(cc1)CC(=O)CCC(C)C 1458a_100000212244_100000210312 [0,1,0,0,1,0|1,0,1]=4 3155 B15R1.111 Cc1ccc(cc1)CC(=O)NCC(C)C 11a_100000210953_100000212244 [0,1,0,0,1,0|1,0,1]=4 3156 B15R1.111 Cc1ccc(cc1)CC(=O)NCC(C)C 240690a_100000210953_100000212244 [0,1,0,0,1,0|1,0,1]=4 3157 B15R1.111 Cc1ccc(cc1)CC(=O)NCC(C)C 527a_100000210953_100000212244 [0,1,0,0,1,0|1,0,1]=4 3158 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(C)C 11a_100000124888_100000181311 [0,1,0,0,1,0|2,0,0]=4 3159 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(C)C 1626a_100000124888_100000181311 [0,1,0,0,1,0|2,0,0]=4 3160 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(C)C 22a_100000124888_100000181311 [0,1,0,0,1,0|2,0,0]=4 3161 B15R1.111 Cc1ccc(cc1)NC(=O)CCC(C)C 527a_100000124888_100000181311 [0,1,0,0,1,0|2,0,0]=4 3162 B15R1.111 Cc1ccc(cc1)NC(=O)NCC(C)C 2430a_100000124888_100000210953 [0,1,0,0,1,0|2,0,0]=4 3163 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)Br 1458a_100000181311_100000211773 [0,1,0,0,1,0|1,0,1]=4 3164 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210312 [0,1,0,0,1,0|1,0,1]=4 3165 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)Cl 1458a_100000181311_100000181238 [0,1,0,0,1,0|1,0,1]=4 3166 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210312 [0,1,0,0,1,0|1,0,1]=4 3167 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)F 1458a_100000181311_100000230114 [0,1,0,0,1,0|1,0,1]=4 3168 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210312 [0,1,0,0,1,0|1,0,1]=4 3169 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)I 1458a_100000181311_100011218688 [0,1,0,0,1,0|1,0,1]=4 3170 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210312 [0,1,0,0,1,0|1,0,1]=4 3171 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)O 1458a_100000181311_100011660834 [0,1,0,0,1,0|1,0,1]=4 3172 B15R1.120 CC(C)CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210312 [0,1,0,0,1,0|1,0,1]=4 3173 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000181311 [0,1,0,0,1,0|2,0,0]=4 3174 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000181311 [0,1,0,0,1,0|2,0,0]=4 3175 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000181311 [0,1,0,0,1,0|2,0,0]=4 3176 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000181311 [0,1,0,0,1,0|2,0,0]=4 3177 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000181311 [0,1,0,0,1,0|2,0,0]=4 3178 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000181311 [0,1,0,0,1,0|2,0,0]=4 3179 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000181311 [0,1,0,0,1,0|2,0,0]=4 3180 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000181311 [0,1,0,0,1,0|2,0,0]=4 3181 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000181311 [0,1,0,0,1,0|2,0,0]=4 3182 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000181311 [0,1,0,0,1,0|2,0,0]=4 3183 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000181311 [0,1,0,0,1,0|2,0,0]=4 3184 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000181311 [0,1,0,0,1,0|2,0,0]=4 3185 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000181311 [0,1,0,0,1,0|2,0,0]=4 3186 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000181311 [0,1,0,0,1,0|2,0,0]=4 3187 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000181311 [0,1,0,0,1,0|2,0,0]=4 3188 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000181311 [0,1,0,0,1,0|2,0,0]=4 3189 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000181311 [0,1,0,0,1,0|2,0,0]=4 3190 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000181311 [0,1,0,0,1,0|2,0,0]=4 3191 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Br 11a_100000210953_100000747190 [0,1,0,0,1,0|1,0,1]=4 3192 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Br 240690a_100000210953_100000747190 [0,1,0,0,1,0|1,0,1]=4 3193 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Br 527a_100000210953_100000747190 [0,1,0,0,1,0|1,0,1]=4 3194 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Cl 11a_100000210953_100000749307 [0,1,0,0,1,0|1,0,1]=4 3195 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Cl 1626a_100000210953_100000749307 [0,1,0,0,1,0|1,0,1]=4 3196 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Cl 240690a_100000210953_100000749307 [0,1,0,0,1,0|1,0,1]=4 3197 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Cl 527a_100000210953_100000749307 [0,1,0,0,1,0|1,0,1]=4 3198 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)F 11a_100000210953_100000211661 [0,1,0,0,1,0|1,0,1]=4 3199 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)F 1626a_100000210953_100000211661 [0,1,0,0,1,0|1,0,1]=4 3200 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)F 240690a_100000210953_100000211661 [0,1,0,0,1,0|1,0,1]=4 3201 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)F 527a_100000210953_100000211661 [0,1,0,0,1,0|1,0,1]=4 3202 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)I 11a_100000210953_100000238430 [0,1,0,0,1,0|1,0,1]=4 3203 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)I 1626a_100000210953_100000238430 [0,1,0,0,1,0|1,0,1]=4 3204 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)I 240690a_100000210953_100000238430 [0,1,0,0,1,0|1,0,1]=4 3205 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)I 527a_100000210953_100000238430 [0,1,0,0,1,0|1,0,1]=4 3206 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)O 240690a_100000210953_100000745134 [0,1,0,0,1,0|1,0,1]=4 3207 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)O 527a_100000210953_100000745134 [0,1,0,0,1,0|1,0,1]=4 3208 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000210953 [0,1,0,0,1,0|2,0,0]=4 3209 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000210953 [0,1,0,0,1,0|2,0,0]=4 3210 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000210953 [0,1,0,0,1,0|2,0,0]=4 3211 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000210953 [0,1,0,0,1,0|2,0,0]=4 3212 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)F 512a_100000210047_100000210953 [0,1,0,0,1,0|2,0,0]=4 3213 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000210953 [0,1,0,0,1,0|2,0,0]=4 3214 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)I 512a_100000211102_100000210953 [0,1,0,0,1,0|2,0,0]=4 3215 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000210953 [0,1,0,0,1,0|2,0,0]=4 3216 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)O 512a_100000210217_100000210953 [0,1,0,0,1,0|2,0,0]=4 3217 B15R1.120 Cc1cccc(c1)CC(=O)CCC(C)C 1458a_100000181311_100000211840 [0,1,0,0,1,0|1,0,1]=4 3218 B15R1.120 Cc1cccc(c1)CC(=O)CCC(C)C 1458a_100011206899_100000210312 [0,1,0,0,1,0|1,0,1]=4 3219 B15R1.120 Cc1cccc(c1)CC(=O)NCC(C)C 11a_100000210953_100011206899 [0,1,0,0,1,0|1,0,1]=4 3220 B15R1.120 Cc1cccc(c1)CC(=O)NCC(C)C 1626a_100000210953_100011206899 [0,1,0,0,1,0|1,0,1]=4 3221 B15R1.120 Cc1cccc(c1)CC(=O)NCC(C)C 240690a_100000210953_100011206899 [0,1,0,0,1,0|1,0,1]=4 3222 B15R1.120 Cc1cccc(c1)CC(=O)NCC(C)C 527a_100000210953_100011206899 [0,1,0,0,1,0|1,0,1]=4 3223 B15R1.120 Cc1cccc(c1)NC(=O)CCC(C)C 11a_100000188690_100000181311 [0,1,0,0,1,0|2,0,0]=4 3224 B15R1.120 Cc1cccc(c1)NC(=O)CCC(C)C 1626a_100000188690_100000181311 [0,1,0,0,1,0|2,0,0]=4 3225 B15R1.120 Cc1cccc(c1)NC(=O)CCC(C)C 22a_100000188690_100000181311 [0,1,0,0,1,0|2,0,0]=4 3226 B15R1.120 Cc1cccc(c1)NC(=O)CCC(C)C 527a_100000188690_100000181311 [0,1,0,0,1,0|2,0,0]=4 3227 B15R1.120 Cc1cccc(c1)NC(=O)NCC(C)C 2430a_100000188690_100000210953 [0,1,0,0,1,0|2,0,0]=4 3228 B15R1.120 Cc1cccc(c1)NC(=O)NCC(C)C 512a_100000188690_100000210953 [0,1,0,0,1,0|2,0,0]=4 3229 B15R1.256 CC(C)CCC(=O)Cc1ccccc1Br 1458a_100000181311_100000184730 [0,1,0,0,1,0|1,0,1]=4 3230 B15R1.256 CC(C)CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210312 [0,1,0,0,1,0|1,0,1]=4 3231 B15R1.256 CC(C)CCC(=O)Cc1ccccc1Cl 1458a_100000181311_100000187162 [0,1,0,0,1,0|1,0,1]=4 3232 B15R1.256 CC(C)CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210312 [0,1,0,0,1,0|1,0,1]=4 3233 B15R1.256 CC(C)CCC(=O)Cc1ccccc1F 1458a_100000181311_100000187165 [0,1,0,0,1,0|1,0,1]=4 3234 B15R1.256 CC(C)CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210312 [0,1,0,0,1,0|1,0,1]=4 3235 B15R1.256 CC(C)CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210312 [0,1,0,0,1,0|1,0,1]=4 3236 B15R1.256 CC(C)CCC(=O)Cc1ccccc1I 1458a_100000181311_100011216222 [0,1,0,0,1,0|1,0,1]=4 3237 B15R1.256 CC(C)CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210312 [0,1,0,0,1,0|1,0,1]=4 3238 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Br 11a_100000210017_100000181311 [0,1,0,0,1,0|2,0,0]=4 3239 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000181311 [0,1,0,0,1,0|2,0,0]=4 3240 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000181311 [0,1,0,0,1,0|2,0,0]=4 3241 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000181311 [0,1,0,0,1,0|2,0,0]=4 3242 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000181311 [0,1,0,0,1,0|2,0,0]=4 3243 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000181311 [0,1,0,0,1,0|2,0,0]=4 3244 B15R1.256 CC(C)CCC(=O)Nc1ccccc1F 11a_100000210422_100000181311 [0,1,0,0,1,0|2,0,0]=4 3245 B15R1.256 CC(C)CCC(=O)Nc1ccccc1F 1626a_100000210422_100000181311 [0,1,0,0,1,0|2,0,0]=4 3246 B15R1.256 CC(C)CCC(=O)Nc1ccccc1F 22a_100000210422_100000181311 [0,1,0,0,1,0|2,0,0]=4 3247 B15R1.256 CC(C)CCC(=O)Nc1ccccc1F 527a_100000210422_100000181311 [0,1,0,0,1,0|2,0,0]=4 3248 B15R1.256 CC(C)CCC(=O)Nc1ccccc1I 11a_100000210053_100000181311 [0,1,0,0,1,0|2,0,0]=4 3249 B15R1.256 CC(C)CCC(=O)Nc1ccccc1I 1626a_100000210053_100000181311 [0,1,0,0,1,0|2,0,0]=4 3250 B15R1.256 CC(C)CCC(=O)Nc1ccccc1O 22a_100000185747_100000181311 [0,1,0,0,1,0|2,0,0]=4 3251 B15R1.256 CC(C)CCC(=O)Nc1ccccc1O 527a_100000185747_100000181311 [0,1,0,0,1,0|2,0,0]=4 3252 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Br 11a_100000210953_100000751119 [0,1,0,0,1,0|1,0,1]=4 3253 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Br 240690a_100000210953_100000751119 [0,1,0,0,1,0|1,0,1]=4 3254 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Br 527a_100000210953_100000751119 [0,1,0,0,1,0|1,0,1]=4 3255 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Cl 11a_100000210953_100000183793 [0,1,0,0,1,0|1,0,1]=4 3256 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Cl 1626a_100000210953_100000183793 [0,1,0,0,1,0|1,0,1]=4 3257 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Cl 240690a_100000210953_100000183793 [0,1,0,0,1,0|1,0,1]=4 3258 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Cl 527a_100000210953_100000183793 [0,1,0,0,1,0|1,0,1]=4 3259 B15R1.256 CC(C)CNC(=O)Cc1ccccc1F 11a_100000210953_100000212012 [0,1,0,0,1,0|1,0,1]=4 3260 B15R1.256 CC(C)CNC(=O)Cc1ccccc1F 1626a_100000210953_100000212012 [0,1,0,0,1,0|1,0,1]=4 3261 B15R1.256 CC(C)CNC(=O)Cc1ccccc1F 240690a_100000210953_100000212012 [0,1,0,0,1,0|1,0,1]=4 3262 B15R1.256 CC(C)CNC(=O)Cc1ccccc1F 527a_100000210953_100000212012 [0,1,0,0,1,0|1,0,1]=4 3263 B15R1.256 CC(C)CNC(=O)Cc1ccccc1I 11a_100000210953_100000036491 [0,1,0,0,1,0|1,0,1]=4 3264 B15R1.256 CC(C)CNC(=O)Cc1ccccc1I 1626a_100000210953_100000036491 [0,1,0,0,1,0|1,0,1]=4 3265 B15R1.256 CC(C)CNC(=O)Cc1ccccc1I 240690a_100000210953_100000036491 [0,1,0,0,1,0|1,0,1]=4 3266 B15R1.256 CC(C)CNC(=O)Cc1ccccc1I 527a_100000210953_100000036491 [0,1,0,0,1,0|1,0,1]=4 3267 B15R1.256 CC(C)CNC(=O)Cc1ccccc1O 240690a_100000210953_100000743006 [0,1,0,0,1,0|1,0,1]=4 3268 B15R1.256 CC(C)CNC(=O)Cc1ccccc1O 527a_100000210953_100000743006 [0,1,0,0,1,0|1,0,1]=4 3269 B15R1.256 CC(C)CNC(=O)Nc1ccccc1Br 2430a_100000210017_100000210953 [0,1,0,0,1,0|2,0,0]=4 3270 B15R1.256 CC(C)CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000210953 [0,1,0,0,1,0|2,0,0]=4 3271 B15R1.256 CC(C)CNC(=O)Nc1ccccc1F 2430a_100000210422_100000210953 [0,1,0,0,1,0|2,0,0]=4 3272 B15R1.256 CC(C)CNC(=O)Nc1ccccc1I 2430a_100000210053_100000210953 [0,1,0,0,1,0|2,0,0]=4 3273 B15R1.256 CC(C)CNC(=O)Nc1ccccc1O 2430a_100000185747_100000210953 [0,1,0,0,1,0|2,0,0]=4 3274 B15R1.256 Cc1ccccc1CC(=O)CCC(C)C 1458a_100000181311_100000211839 [0,1,0,0,1,0|1,0,1]=4 3275 B15R1.256 Cc1ccccc1CC(=O)CCC(C)C 1458a_100000212180_100000210312 [0,1,0,0,1,0|1,0,1]=4 3276 B15R1.256 Cc1ccccc1CC(=O)NCC(C)C 11a_100000210953_100000212180 [0,1,0,0,1,0|1,0,1]=4 3277 B15R1.256 Cc1ccccc1CC(=O)NCC(C)C 1626a_100000210953_100000212180 [0,1,0,0,1,0|1,0,1]=4 3278 B15R1.256 Cc1ccccc1CC(=O)NCC(C)C 240690a_100000210953_100000212180 [0,1,0,0,1,0|1,0,1]=4 3279 B15R1.256 Cc1ccccc1CC(=O)NCC(C)C 527a_100000210953_100000212180 [0,1,0,0,1,0|1,0,1]=4 3280 B15R1.256 Cc1ccccc1NC(=O)CCC(C)C 11a_100015192222_100000181311 [0,1,0,0,1,0|2,0,0]=4 3281 B15R1.256 Cc1ccccc1NC(=O)CCC(C)C 1626a_100015192222_100000181311 [0,1,0,0,1,0|2,0,0]=4 3282 B15R1.256 Cc1ccccc1NC(=O)CCC(C)C 22a_100015192222_100000181311 [0,1,0,0,1,0|2,0,0]=4 3283 B15R1.256 Cc1ccccc1NC(=O)CCC(C)C 527a_100015192222_100000181311 [0,1,0,0,1,0|2,0,0]=4 3284 B15R1.256 Cc1ccccc1NC(=O)NCC(C)C 2430a_100015192222_100000210953 [0,1,0,0,1,0|2,0,0]=4 3285 B15R1.496 C/C(=C\c1ccccc1)/C(=O)CC(C)C 1458a_100016990649_100000210624 [0,1,0,0,1,0|2,0,0]=4 3286 B15R1.496 CC(C)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210624 [0,1,0,0,1,0|2,0,0]=4 3287 B15R1.496 CC(C)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210624 [0,1,0,0,1,0|2,0,0]=4 3288 B15R1.496 CC(C)CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210624 [0,1,0,0,1,0|2,0,0]=4 3289 B15R1.496 CC(C)CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100000747067 [0,1,0,0,1,0|2,0,0]=4 3290 B15R1.496 CC(C)C[C@H](O)C(=O)Cc1ccccc1 1458a_100012027011_100015291786 [0,1,0,0,1,0|1,0,1]=4 3291 B15R1.496 CC(C)C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_100012027011 [0,1,0,0,1,0|2,0,0]=4 3292 B15R1.496 CC(C)C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_100012027011 [0,1,0,0,1,0|2,0,0]=4 3293 B15R1.964 CC(CO)CNC(=O)Nc1ccccc1 2430a_100000106764_100000744482 [0,1,0,0,1,0|2,0,0]=4 3294 B15R1.964 CCC(C)CCC(=O)Cc1ccccc1 1458a_100000701222_100015291786 [0,1,0,0,1,0|1,0,1]=4 3295 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 3296 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 3297 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 3298 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 3299 B15R1.964 CCC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100020588543 [0,1,0,0,1,0|2,0,0]=4 3300 B15R1.964 CO[C@H](C)CNC(=O)Nc1ccccc1 2430a_100000106764_100020591295 [0,1,0,0,1,0|2,0,0]=4 3301 B15R1.1078 C=C(C(=O)CCC(C)C)c1ccccc1 1458a_100000065200_100000210312 [0,1,0,0,1,0|1,0,0]=3 3302 B15R1.1078 C=C(C(=O)CCC(C)O)c1ccccc1 1458a_100000065200_100012276601 [0,1,0,0,1,0|2,0,0]=4 3303 B15R1.1078 C=C(C(=O)NCC(C)C)c1ccccc1 1626a_100000210953_100000065200 [0,1,0,0,1,0|1,0,0]=3 3304 B15R1.1078 C=C(C(=O)NNC(C)C)c1ccccc1 22a_100000741168_100000065200 [0,1,0,0,1,0|2,0,0]=4 3305 B15R1.1078 CC(C)CCC(=O)C(C)c1ccccc1 1458a_100000181311_100000230085 [0,1,0,0,1,0|1,0,1]=4 3306 B15R1.1078 CC(C)CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210312 [0,1,0,0,1,0|1,0,1]=4 3307 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 11a_100000210012_100000181311 [0,1,0,0,1,0|2,0,0]=4 3308 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000181311 [0,1,0,0,1,0|2,0,0]=4 3309 B15R1.1078 CC(C)CCC(=O)N(C)c1ccccc1 22a_100000210012_100000181311 [0,1,0,0,1,0|2,0,0]=4 3310 B15R1.1078 CC(C)CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210312 [0,1,0,0,1,0|1,0,1]=4 3311 B15R1.1078 CC(C)CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210312 [0,1,0,0,1,0|1,0,1]=4 3312 B15R1.1078 CC(C)CNC(=O)C(F)c1ccccc1 11a_100000210953_100000698975 [0,1,0,0,1,0|1,0,1]=4 3313 B15R1.1078 CC(C)CNC(=O)C(F)c1ccccc1 1626a_100000210953_100000698975 [0,1,0,0,1,0|1,0,1]=4 3314 B15R1.1078 CC(C)CNC(=O)C(F)c1ccccc1 240690a_100000210953_100000698975 [0,1,0,0,1,0|1,0,1]=4 3315 B15R1.1078 CC(C)CNC(=O)C(F)c1ccccc1 527a_100000210953_100000698975 [0,1,0,0,1,0|1,0,1]=4 3316 B15R1.1078 CC(C)CNC(=O)N(C)c1ccccc1 512a_100000210953_100000210012 [0,1,0,0,1,0|2,0,0]=4 3317 B15R1.1078 CC(C)CNC(=O)[C@@H](C)c1ccccc1 11a_100000210953_100000751047 [0,1,0,0,1,0|1,0,1]=4 3318 B15R1.1078 CC(C)CNC(=O)[C@@H](C)c1ccccc1 1626a_100000210953_100000751047 [0,1,0,0,1,0|1,0,1]=4 3319 B15R1.1078 CC(C)CNC(=O)[C@@H](C)c1ccccc1 240690a_100000210953_100000751047 [0,1,0,0,1,0|1,0,1]=4 3320 B15R1.1078 CC(C)CNC(=O)[C@@H](C)c1ccccc1 527a_100000210953_100000751047 [0,1,0,0,1,0|1,0,1]=4 3321 B15R1.1078 CC(C)CNC(=O)[C@H](O)c1ccccc1 240690a_100000210953_100000684486 [0,1,0,0,1,0|1,0,1]=4 3322 B15R1.3675 CC(C)C(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000211541 [0,1,0,0,1,0|2,0,0]=4 3323 B15R1.9108 CC(C)(C)CCC(=O)Cc1ccccc1 1458a_100000757465_100015291786 [0,1,0,0,1,0|1,0,1]=4 3324 B15R1.9108 CC(C)(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000757465 [0,1,0,0,1,0|2,0,0]=4 3325 B15R1.9108 CC(C)(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000757465 [0,1,0,0,1,0|2,0,0]=4 3326 B15R1.9108 CC(C)(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000757465 [0,1,0,0,1,0|2,0,0]=4 3327 B15R1.9108 CC(C)(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000757465 [0,1,0,0,1,0|2,0,0]=4 3328 B15R1.9108 CC(C)(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000743828 [0,1,0,0,1,0|2,0,0]=4 3329 B15R1.9108 CC(C)(F)CNC(=O)Nc1ccccc1 2430a_100000106764_100020643315 [0,1,0,0,1,0|2,0,0]=4 3330 B15R1.9108 CC(C)(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000751335 [0,1,0,0,1,0|2,0,0]=4 3331 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000748629 [0,1,0,0,1,0|0,0,2]=4 3332 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000748629 [0,1,0,0,1,0|0,0,2]=4 3333 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000748629 [0,1,0,0,1,0|0,0,2]=4 3334 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000748629 [0,1,0,0,1,0|0,0,2]=4 3335 B15R1.130 CC(C)CC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210624 [0,1,0,0,1,0|0,0,2]=4 3336 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210624 [0,1,0,0,1,0|0,0,0]=2 3337 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210624 [0,1,0,0,1,0|0,0,0]=2 3338 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210624 [0,1,0,0,1,0|0,0,0]=2 3339 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210624 [0,1,0,0,1,0|0,0,0]=2 3340 B15R1.130 CC(C)CC(=O)CCc1ccccc1Br 1458a_100000210554_100012161201 [0,1,0,0,1,0|0,0,2]=4 3341 B15R1.130 CC(C)CC(=O)CCc1ccccc1Br 1458a_100000740810_100000210624 [0,1,0,0,1,0|0,0,2]=4 3342 B15R1.130 CC(C)CC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210624 [0,1,0,0,1,0|0,0,2]=4 3343 B15R1.130 CC(C)CC(=O)CCc1ccccc1Cl 1458a_100000210554_100011713703 [0,1,0,0,1,0|0,0,2]=4 3344 B15R1.130 CC(C)CC(=O)CCc1ccccc1F 1458a_100000189703_100000210624 [0,1,0,0,1,0|0,0,2]=4 3345 B15R1.130 CC(C)CC(=O)CCc1ccccc1F 1458a_100000210554_100000720011 [0,1,0,0,1,0|0,0,2]=4 3346 B15R1.130 CC(C)CC(=O)CCc1ccccc1I 1458a_100000037306_100000210624 [0,1,0,0,1,0|0,0,2]=4 3347 B15R1.130 CC(C)CC(=O)CCc1ccccc1O 1458a_100000181328_100000210624 [0,1,0,0,1,0|0,0,2]=4 3348 B15R1.130 CC(C)CC(=O)CCc1ccccc1O 1458a_100000210554_100000722297 [0,1,0,0,1,0|0,0,2]=4 3349 B15R1.130 CC(C)CC(=O)COc1ccccc1Br 1458a_100000216496_100000210624 [0,1,0,0,1,0|1,0,1]=4 3350 B15R1.130 CC(C)CC(=O)COc1ccccc1Cl 1458a_100000185159_100000210624 [0,1,0,0,1,0|1,0,1]=4 3351 B15R1.130 CC(C)CC(=O)COc1ccccc1F 1458a_100000182486_100000210624 [0,1,0,0,1,0|1,0,1]=4 3352 B15R1.130 CC(C)CC(=O)COc1ccccc1O 1458a_100000183020_100000210624 [0,1,0,0,1,0|1,0,1]=4 3353 B15R1.130 CC(C)CC(=O)CSc1ccccc1F 1458a_100000179528_100000210624 [0,1,0,0,1,0|1,0,1]=4 3354 B15R1.130 CC(C)CC(=O)CSc1ccccc1O 1458a_100000695322_100000210624 [0,1,0,0,1,0|1,0,1]=4 3355 B15R1.130 CC(C)CC(=O)NCc1ccccc1Br 11a_100000689332_100000210554 [0,1,0,0,1,0|1,0,1]=4 3356 B15R1.130 CC(C)CC(=O)NCc1ccccc1Br 1626a_100000689332_100000210554 [0,1,0,0,1,0|1,0,1]=4 3357 B15R1.130 CC(C)CC(=O)NCc1ccccc1Br 240690a_100000689332_100000210554 [0,1,0,0,1,0|1,0,1]=4 3358 B15R1.130 CC(C)CC(=O)NCc1ccccc1Br 527a_100000689332_100000210554 [0,1,0,0,1,0|1,0,1]=4 3359 B15R1.130 CC(C)CC(=O)NCc1ccccc1Cl 11a_100000174879_100000210554 [0,1,0,0,1,0|1,0,1]=4 3360 B15R1.130 CC(C)CC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210554 [0,1,0,0,1,0|1,0,1]=4 3361 B15R1.130 CC(C)CC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210554 [0,1,0,0,1,0|1,0,1]=4 3362 B15R1.130 CC(C)CC(=O)NCc1ccccc1Cl 527a_100000174879_100000210554 [0,1,0,0,1,0|1,0,1]=4 3363 B15R1.130 CC(C)CC(=O)NCc1ccccc1F 11a_100000174869_100000210554 [0,1,0,0,1,0|1,0,1]=4 3364 B15R1.130 CC(C)CC(=O)NCc1ccccc1F 1626a_100000174869_100000210554 [0,1,0,0,1,0|1,0,1]=4 3365 B15R1.130 CC(C)CC(=O)NCc1ccccc1F 240690a_100000174869_100000210554 [0,1,0,0,1,0|1,0,1]=4 3366 B15R1.130 CC(C)CC(=O)NCc1ccccc1F 527a_100000174869_100000210554 [0,1,0,0,1,0|1,0,1]=4 3367 B15R1.130 CC(C)CC(=O)NCc1ccccc1I 11a_100015347259_100000210554 [0,1,0,0,1,0|1,0,1]=4 3368 B15R1.130 CC(C)CC(=O)NCc1ccccc1I 1626a_100015347259_100000210554 [0,1,0,0,1,0|1,0,1]=4 3369 B15R1.130 CC(C)CC(=O)NCc1ccccc1I 240690a_100015347259_100000210554 [0,1,0,0,1,0|1,0,1]=4 3370 B15R1.130 CC(C)CC(=O)NCc1ccccc1I 527a_100015347259_100000210554 [0,1,0,0,1,0|1,0,1]=4 3371 B15R1.130 CC(C)CC(=O)NCc1ccccc1O 240690a_100000185550_100000210554 [0,1,0,0,1,0|1,0,1]=4 3372 B15R1.130 CC(C)CC(=O)NCc1ccccc1O 527a_100000185550_100000210554 [0,1,0,0,1,0|1,0,1]=4 3373 B15R1.130 CC(C)CC(=O)NNc1ccccc1Br 22a_100000241748_100000210554 [0,1,0,0,1,0|2,0,0]=4 3374 B15R1.130 CC(C)CC(=O)NNc1ccccc1Cl 22a_100000683529_100000210554 [0,1,0,0,1,0|2,0,0]=4 3375 B15R1.130 CC(C)CC(=O)NNc1ccccc1F 22a_100000239246_100000210554 [0,1,0,0,1,0|2,0,0]=4 3376 B15R1.130 CC(C)CC(=O)NNc1ccccc1I 22a_100011218156_100000210554 [0,1,0,0,1,0|2,0,0]=4 3377 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br 11a_100138425928_100000719032 [0,1,0,0,1,0|1,0,0]=3 3378 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br 1626a_100138425928_100000719032 [0,1,0,0,1,0|1,0,0]=3 3379 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br 240690a_100138425928_100000719032 [0,1,0,0,1,0|1,0,0]=3 3380 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Cl 11a_100138425928_100000720304 [0,1,0,0,1,0|1,0,0]=3 3381 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Cl 1626a_100138425928_100000720304 [0,1,0,0,1,0|1,0,0]=3 3382 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Cl 240690a_100138425928_100000720304 [0,1,0,0,1,0|1,0,0]=3 3383 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1F 11a_100138425928_100016256065 [0,1,0,0,1,0|1,0,0]=3 3384 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1F 1626a_100138425928_100016256065 [0,1,0,0,1,0|1,0,0]=3 3385 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1F 240690a_100138425928_100016256065 [0,1,0,0,1,0|1,0,0]=3 3386 B15R1.130 CC(C)OC(=O)CNc1ccccc1Br 34a_100000210017_100011215430 [0,1,0,0,1,0|1,0,1]=4 3387 B15R1.130 CC(C)OC(=O)CNc1ccccc1Cl 34a_100000185783_100011215430 [0,1,0,0,1,0|1,0,1]=4 3388 B15R1.130 CC(C)OC(=O)CNc1ccccc1F 34a_100000210422_100011215430 [0,1,0,0,1,0|1,0,1]=4 3389 B15R1.130 CC(C)OC(=O)CNc1ccccc1I 34a_100000210053_100011215430 [0,1,0,0,1,0|1,0,1]=4 3390 B15R1.130 CC(C)OC(=O)CNc1ccccc1O 34a_100000185747_100011215430 [0,1,0,0,1,0|1,0,1]=4 3391 B15R1.130 CC(C)OC(=O)COc1ccccc1Br 34a_100000181306_100011215430 [0,1,0,0,1,0|1,0,1]=4 3392 B15R1.130 CC(C)OC(=O)COc1ccccc1Br 7a_100000181306_100011215430 [0,1,0,0,1,0|1,0,1]=4 3393 B15R1.130 CC(C)OC(=O)COc1ccccc1Cl 34a_100000210172_100011215430 [0,1,0,0,1,0|1,0,1]=4 3394 B15R1.130 CC(C)OC(=O)COc1ccccc1Cl 7a_100000210172_100011215430 [0,1,0,0,1,0|1,0,1]=4 3395 B15R1.130 CC(C)OC(=O)COc1ccccc1F 34a_100000210171_100011215430 [0,1,0,0,1,0|1,0,1]=4 3396 B15R1.130 CC(C)OC(=O)COc1ccccc1F 7a_100000210171_100011215430 [0,1,0,0,1,0|1,0,1]=4 3397 B15R1.130 CC(C)OC(=O)COc1ccccc1I 34a_100000739446_100011215430 [0,1,0,0,1,0|1,0,1]=4 3398 B15R1.130 CC(C)OC(=O)COc1ccccc1I 7a_100000739446_100011215430 [0,1,0,0,1,0|1,0,1]=4 3399 B15R1.130 CC(C)OC(=O)COc1ccccc1N 34a_100000185747_100011215430 [0,1,0,0,1,0|1,0,1]=4 3400 B15R1.130 CC(C)OC(=O)COc1ccccc1N 7a_100000185747_100011215430 [0,1,0,0,1,0|1,0,1]=4 3401 B15R1.130 CC(C)OC(=O)CSc1ccccc1Br 62a_100000695589_100011215430 [0,1,0,0,1,0|1,0,1]=4 3402 B15R1.130 CC(C)OC(=O)CSc1ccccc1Br 62a_100011215430_100000695589 [0,1,0,0,1,0|1,0,1]=4 3403 B15R1.130 CC(C)OC(=O)CSc1ccccc1Cl 62a_100000764095_100011215430 [0,1,0,0,1,0|1,0,1]=4 3404 B15R1.130 CC(C)OC(=O)CSc1ccccc1Cl 62a_100011215430_100000764095 [0,1,0,0,1,0|1,0,1]=4 3405 B15R1.130 CC(C)OC(=O)CSc1ccccc1F 62a_100011215430_100011215700 [0,1,0,0,1,0|1,0,1]=4 3406 B15R1.130 CC(C)OC(=O)CSc1ccccc1F 62a_100011215700_100011215430 [0,1,0,0,1,0|1,0,1]=4 3407 B15R1.130 CC(C)OC(=O)CSc1ccccc1N 62a_100000210017_100011215430 [0,1,0,0,1,0|1,0,1]=4 3408 B15R1.130 CC(C)OC(=O)CSc1ccccc1N 62a_100011215430_100000210017 [0,1,0,0,1,0|1,0,1]=4 3409 B15R1.130 CC(C)OC(=O)CSc1ccccc1O 62a_100000739446_100011215430 [0,1,0,0,1,0|1,0,1]=4 3410 B15R1.130 CC(C)OC(=O)CSc1ccccc1O 62a_100011215430_100000739446 [0,1,0,0,1,0|1,0,1]=4 3411 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011218427 [0,1,0,0,1,0|1,0,0]=3 3412 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011218427 [0,1,0,0,1,0|1,0,0]=3 3413 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100011218427 [0,1,0,0,1,0|1,0,0]=3 3414 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100011218427 [0,1,0,0,1,0|1,0,0]=3 3415 B15R1.130 Cc1ccccc1C=CC(=O)NC(C)C 1626a_100138425928_100016266485 [0,1,0,0,1,0|1,0,0]=3 3416 B15R1.130 Cc1ccccc1CCC(=O)CC(C)C 1458a_100000210554_100011713688 [0,1,0,0,1,0|0,0,2]=4 3417 B15R1.130 Cc1ccccc1CCC(=O)CC(C)C 1458a_100000748742_100000210624 [0,1,0,0,1,0|0,0,2]=4 3418 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C 11a_100000174972_100000210554 [0,1,0,0,1,0|1,0,1]=4 3419 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C 1626a_100000174972_100000210554 [0,1,0,0,1,0|1,0,1]=4 3420 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C 240690a_100000174972_100000210554 [0,1,0,0,1,0|1,0,1]=4 3421 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C 527a_100000174972_100000210554 [0,1,0,0,1,0|1,0,1]=4 3422 B15R1.130 Cc1ccccc1NCC(=O)OC(C)C 34a_100015192222_100011215430 [0,1,0,0,1,0|1,0,1]=4 3423 B15R1.130 Cc1ccccc1NNC(=O)CC(C)C 22a_100000184220_100000210554 [0,1,0,0,1,0|2,0,0]=4 3424 B15R1.130 Cc1ccccc1OCC(=O)CC(C)C 1458a_100000182418_100000210624 [0,1,0,0,1,0|1,0,1]=4 3425 B15R1.130 Cc1ccccc1OCC(=O)OC(C)C 34a_100000210338_100011215430 [0,1,0,0,1,0|1,0,1]=4 3426 B15R1.130 Cc1ccccc1OCC(=O)OC(C)C 7a_100000210338_100011215430 [0,1,0,0,1,0|1,0,1]=4 3427 B15R1.130 Cc1ccccc1SCC(=O)CC(C)C 1458a_100000183026_100000210624 [0,1,0,0,1,0|1,0,1]=4 3428 B15R1.130 Cc1ccccc1SCC(=O)OC(C)C 62a_100000210755_100011215430 [0,1,0,0,1,0|1,0,1]=4 3429 B15R1.130 Cc1ccccc1SCC(=O)OC(C)C 62a_100011215430_100000210755 [0,1,0,0,1,0|1,0,1]=4 3430 B15R1.130 O=C(C=Cc1ccccc1Br)CC(F)F 1458a_100000719032_100011934356 [0,1,0,0,1,0|2,0,0]=4 3431 B15R1.130 O=C(C=Cc1ccccc1Cl)CC(F)F 1458a_100000720304_100011934356 [0,1,0,0,1,0|2,0,0]=4 3432 B15R1.130 O=C(C=Cc1ccccc1F)CC(F)F 1458a_100016256065_100011934356 [0,1,0,0,1,0|2,0,0]=4 3433 B15R1.130 O=C(C=Cc1ccccc1O)CC(F)F 1458a_100016263591_100011934356 [0,1,0,0,1,0|2,0,0]=4 3434 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000748629 [0,1,0,0,1,0|0,0,2]=4 3435 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000748629 [0,1,0,0,1,0|0,0,2]=4 3436 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000748629 [0,1,0,0,1,0|0,0,2]=4 3437 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000748629 [0,1,0,0,1,0|0,0,2]=4 3438 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000748629 [0,1,0,0,1,0|0,0,2]=4 3439 B15R1.870 CC(C)CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210624 [0,1,0,0,1,0|0,0,2]=4 3440 B15R1.870 CC(C)CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210624 [0,1,0,0,1,0|0,0,2]=4 3441 B15R1.870 CC(C)CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210624 [0,1,0,0,1,0|0,0,2]=4 3442 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210624 [0,1,0,0,1,0|0,0,0]=2 3443 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210624 [0,1,0,0,1,0|0,0,0]=2 3444 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210624 [0,1,0,0,1,0|0,0,0]=2 3445 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210624 [0,1,0,0,1,0|0,0,0]=2 3446 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210624 [0,1,0,0,1,0|1,0,0]=3 3447 B15R1.870 CC(C)CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210624 [0,1,0,0,1,0|1,0,0]=3 3448 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)Br 1458a_100000210554_100011740612 [0,1,0,0,1,0|0,0,2]=4 3449 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210624 [0,1,0,0,1,0|0,0,2]=4 3450 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)Cl 1458a_100000210554_100011713675 [0,1,0,0,1,0|0,0,2]=4 3451 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210624 [0,1,0,0,1,0|0,0,2]=4 3452 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210624 [0,1,0,0,1,0|0,0,2]=4 3453 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)F 1458a_100000210554_100011217392 [0,1,0,0,1,0|0,0,2]=4 3454 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210624 [0,1,0,0,1,0|0,0,2]=4 3455 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)O 1458a_100000210554_100009816426 [0,1,0,0,1,0|0,0,2]=4 3456 B15R1.870 CC(C)CC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210624 [0,1,0,0,1,0|0,0,2]=4 3457 B15R1.870 CC(C)CC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210624 [0,1,0,0,1,0|1,0,1]=4 3458 B15R1.870 CC(C)CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210624 [0,1,0,0,1,0|1,0,1]=4 3459 B15R1.870 CC(C)CC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210624 [0,1,0,0,1,0|1,0,1]=4 3460 B15R1.870 CC(C)CC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210624 [0,1,0,0,1,0|1,0,1]=4 3461 B15R1.870 CC(C)CC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210624 [0,1,0,0,1,0|1,0,1]=4 3462 B15R1.870 CC(C)CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210624 [0,1,0,0,1,0|1,0,1]=4 3463 B15R1.870 CC(C)CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210624 [0,1,0,0,1,0|1,0,1]=4 3464 B15R1.870 CC(C)CC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210624 [0,1,0,0,1,0|1,0,1]=4 3465 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210554 [0,1,0,0,1,0|1,0,1]=4 3466 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210554 [0,1,0,0,1,0|1,0,1]=4 3467 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210554 [0,1,0,0,1,0|1,0,1]=4 3468 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210554 [0,1,0,0,1,0|1,0,1]=4 3469 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210554 [0,1,0,0,1,0|1,0,1]=4 3470 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210554 [0,1,0,0,1,0|1,0,1]=4 3471 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210554 [0,1,0,0,1,0|1,0,1]=4 3472 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210554 [0,1,0,0,1,0|1,0,1]=4 3473 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210554 [0,1,0,0,1,0|1,0,1]=4 3474 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210554 [0,1,0,0,1,0|1,0,1]=4 3475 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210554 [0,1,0,0,1,0|1,0,1]=4 3476 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210554 [0,1,0,0,1,0|1,0,1]=4 3477 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210554 [0,1,0,0,1,0|1,0,1]=4 3478 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210554 [0,1,0,0,1,0|1,0,1]=4 3479 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210554 [0,1,0,0,1,0|1,0,1]=4 3480 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210554 [0,1,0,0,1,0|1,0,1]=4 3481 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210554 [0,1,0,0,1,0|1,0,1]=4 3482 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210554 [0,1,0,0,1,0|1,0,1]=4 3483 B15R1.870 CC(C)CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000210554 [0,1,0,0,1,0|2,0,0]=4 3484 B15R1.870 CC(C)CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000210554 [0,1,0,0,1,0|2,0,0]=4 3485 B15R1.870 CC(C)CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000210554 [0,1,0,0,1,0|2,0,0]=4 3486 B15R1.870 CC(C)CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000210554 [0,1,0,0,1,0|2,0,0]=4 3487 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br 11a_100138425928_100016267368 [0,1,0,0,1,0|1,0,0]=3 3488 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100138425928_100016267368 [0,1,0,0,1,0|1,0,0]=3 3489 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100138425928_100000184863 [0,1,0,0,1,0|1,0,0]=3 3490 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100138425928_100000184863 [0,1,0,0,1,0|1,0,0]=3 3491 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100138425928_100000184863 [0,1,0,0,1,0|1,0,0]=3 3492 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F 11a_100138425928_100000182136 [0,1,0,0,1,0|1,0,0]=3 3493 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F 1626a_100138425928_100000182136 [0,1,0,0,1,0|1,0,0]=3 3494 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F 240690a_100138425928_100000182136 [0,1,0,0,1,0|1,0,0]=3 3495 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)I 11a_100138425928_100102526154 [0,1,0,0,1,0|1,0,0]=3 3496 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)I 1626a_100138425928_100102526154 [0,1,0,0,1,0|1,0,0]=3 3497 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)I 240690a_100138425928_100102526154 [0,1,0,0,1,0|1,0,0]=3 3498 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)O 240690a_100138425928_100016269017 [0,1,0,0,1,0|1,0,0]=3 3499 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cn1)F 11a_100138425928_100020630499 [0,1,0,0,1,0|2,0,0]=4 3500 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cn1)F 1626a_100138425928_100020630499 [0,1,0,0,1,0|2,0,0]=4 3501 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cn1)F 240690a_100138425928_100020630499 [0,1,0,0,1,0|2,0,0]=4 3502 B15R1.870 CC(C)NC(=O)C=Cc1ccc(nc1)Br 11a_100138425928_100020588214 [0,1,0,0,1,0|2,0,0]=4 3503 B15R1.870 CC(C)NC(=O)C=Cc1ccc(nc1)Br 1626a_100138425928_100020588214 [0,1,0,0,1,0|2,0,0]=4 3504 B15R1.870 CC(C)NC(=O)C=Cc1ccc(nc1)Br 240690a_100138425928_100020588214 [0,1,0,0,1,0|2,0,0]=4 3505 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100011215430 [0,1,0,0,1,0|1,0,1]=4 3506 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Br 34a_100000210018_100011215430 [0,1,0,0,1,0|1,0,1]=4 3507 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100011215430 [0,1,0,0,1,0|1,0,1]=4 3508 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100011215430 [0,1,0,0,1,0|1,0,1]=4 3509 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)F 34a_100000185862_100011215430 [0,1,0,0,1,0|1,0,1]=4 3510 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)I 34a_100000185761_100011215430 [0,1,0,0,1,0|1,0,1]=4 3511 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)O 34a_100000185829_100011215430 [0,1,0,0,1,0|1,0,1]=4 3512 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Br 34a_100000185759_100011215430 [0,1,0,0,1,0|1,0,1]=4 3513 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Br 7a_100000185759_100011215430 [0,1,0,0,1,0|1,0,1]=4 3514 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Cl 34a_100000210216_100011215430 [0,1,0,0,1,0|1,0,1]=4 3515 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Cl 7a_100000210216_100011215430 [0,1,0,0,1,0|1,0,1]=4 3516 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)F 34a_100000210339_100011215430 [0,1,0,0,1,0|1,0,1]=4 3517 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)I 34a_100000212066_100011215430 [0,1,0,0,1,0|1,0,1]=4 3518 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)I 7a_100000212066_100011215430 [0,1,0,0,1,0|1,0,1]=4 3519 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)N 34a_100000185829_100011215430 [0,1,0,0,1,0|1,0,1]=4 3520 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Br 62a_100000752885_100011215430 [0,1,0,0,1,0|1,0,1]=4 3521 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Br 62a_100011215430_100000752885 [0,1,0,0,1,0|1,0,1]=4 3522 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100011215430 [0,1,0,0,1,0|1,0,1]=4 3523 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Cl 62a_100011215430_100000755918 [0,1,0,0,1,0|1,0,1]=4 3524 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)F 62a_100000211213_100011215430 [0,1,0,0,1,0|1,0,1]=4 3525 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)F 62a_100011215430_100000211213 [0,1,0,0,1,0|1,0,1]=4 3526 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)N 62a_100000185761_100011215430 [0,1,0,0,1,0|1,0,1]=4 3527 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)N 62a_100011215430_100000185761 [0,1,0,0,1,0|1,0,1]=4 3528 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)O 62a_100011215430_100000185759 [0,1,0,0,1,0|1,0,1]=4 3529 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011218427 [0,1,0,0,1,0|1,0,0]=3 3530 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011218427 [0,1,0,0,1,0|1,0,0]=3 3531 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011218427 [0,1,0,0,1,0|1,0,0]=3 3532 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011218427 [0,1,0,0,1,0|1,0,0]=3 3533 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011218427 [0,1,0,0,1,0|2,0,0]=4 3534 B15R1.870 CC(O)CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011218427 [0,1,0,0,1,0|2,0,0]=4 3535 B15R1.870 Cc1ccc(cc1)C=CC(=O)CC(C)C 1458a_100000716854_100000210624 [0,1,0,0,1,0|0,0,0]=2 3536 B15R1.870 Cc1ccc(cc1)C=CC(=O)CC(C)O 1458a_100000716854_100011218427 [0,1,0,0,1,0|1,0,0]=3 3537 B15R1.870 Cc1ccc(cc1)C=CC(=O)CC(F)F 1458a_100000716854_100011934356 [0,1,0,0,1,0|2,0,0]=4 3538 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C 11a_100138425928_100000716854 [0,1,0,0,1,0|1,0,0]=3 3539 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C 1626a_100138425928_100000716854 [0,1,0,0,1,0|1,0,0]=3 3540 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C 240690a_100138425928_100000716854 [0,1,0,0,1,0|1,0,0]=3 3541 B15R1.870 Cc1ccc(cc1)CCC(=O)CC(C)C 1458a_100000210554_100011713686 [0,1,0,0,1,0|0,0,2]=4 3542 B15R1.870 Cc1ccc(cc1)CCC(=O)CC(C)C 1458a_100000234883_100000210624 [0,1,0,0,1,0|0,0,2]=4 3543 B15R1.870 Cc1ccc(cc1)CNC(=O)CC(C)C 11a_100000174908_100000210554 [0,1,0,0,1,0|1,0,1]=4 3544 B15R1.870 Cc1ccc(cc1)CNC(=O)CC(C)C 1626a_100000174908_100000210554 [0,1,0,0,1,0|1,0,1]=4 3545 B15R1.870 Cc1ccc(cc1)CNC(=O)CC(C)C 240690a_100000174908_100000210554 [0,1,0,0,1,0|1,0,1]=4 3546 B15R1.870 Cc1ccc(cc1)CNC(=O)CC(C)C 527a_100000174908_100000210554 [0,1,0,0,1,0|1,0,1]=4 3547 B15R1.870 Cc1ccc(cc1)NCC(=O)OC(C)C 34a_100000124888_100011215430 [0,1,0,0,1,0|1,0,1]=4 3548 B15R1.870 Cc1ccc(cc1)NNC(=O)CC(C)C 22a_100000683527_100000210554 [0,1,0,0,1,0|2,0,0]=4 3549 B15R1.870 Cc1ccc(cc1)OCC(=O)CC(C)C 1458a_100000182360_100000210624 [0,1,0,0,1,0|1,0,1]=4 3550 B15R1.870 Cc1ccc(cc1)OCC(=O)OC(C)C 34a_100000210336_100011215430 [0,1,0,0,1,0|1,0,1]=4 3551 B15R1.870 Cc1ccc(cc1)OCC(=O)OC(C)C 7a_100000210336_100011215430 [0,1,0,0,1,0|1,0,1]=4 3552 B15R1.870 Cc1ccc(cc1)SCC(=O)CC(C)C 1458a_100000179497_100000210624 [0,1,0,0,1,0|1,0,1]=4 3553 B15R1.870 Cc1ccc(cc1)SCC(=O)OC(C)C 62a_100000186775_100011215430 [0,1,0,0,1,0|1,0,1]=4 3554 B15R1.870 Cc1ccc(cc1)SCC(=O)OC(C)C 62a_100011215430_100000186775 [0,1,0,0,1,0|1,0,1]=4 3555 B15R1.870 O=C(C=Cc1ccc(cc1)Br)CC(F)F 1458a_100016267368_100011934356 [0,1,0,0,1,0|2,0,0]=4 3556 B15R1.870 O=C(C=Cc1ccc(cc1)Cl)CC(F)F 1458a_100000184863_100011934356 [0,1,0,0,1,0|2,0,0]=4 3557 B15R1.870 O=C(C=Cc1ccc(cc1)F)CC(F)F 1458a_100000182136_100011934356 [0,1,0,0,1,0|2,0,0]=4 3558 B15R1.870 O=C(C=Cc1ccc(cc1)I)CC(F)F 1458a_100102526154_100011934356 [0,1,0,0,1,0|2,0,0]=4 3559 B15R1.1076 C=C(C)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000748629 [0,1,0,0,1,0|0,0,2]=4 3560 B15R1.1076 CC(=CC(=O)CC(C)C)c1ccccc1 1458a_100000743005_100000210624 [0,1,0,0,1,0|0,0,0]=2 3561 B15R1.1076 CC(=CC(=O)CC(C)O)c1ccccc1 1458a_100000743005_100011218427 [0,1,0,0,1,0|1,0,0]=3 3562 B15R1.1076 CC(=CC(=O)CC(F)F)c1ccccc1 1458a_100000743005_100011934356 [0,1,0,0,1,0|2,0,0]=4 3563 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 11a_100138425928_100000743005 [0,1,0,0,1,0|1,0,0]=3 3564 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000743005 [0,1,0,0,1,0|1,0,0]=3 3565 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000743005 [0,1,0,0,1,0|1,0,0]=3 3566 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 527a_100138425928_100000743005 [0,1,0,0,1,0|1,0,0]=3 3567 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000210554_100000211460 [0,1,0,0,1,0|0,0,1]=3 3568 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccccn1 1458a_100000210554_100000027445 [0,1,0,0,1,0|1,0,1]=4 3569 B15R1.1076 CC(C)CC(=O)CC(=O)c1cccnc1 1458a_100000210554_100015188593 [0,1,0,0,1,0|1,0,1]=4 3570 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccncc1 1458a_100000210554_100000027454 [0,1,0,0,1,0|1,0,1]=4 3571 B15R1.1076 CC(C)CC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210624 [0,1,0,0,1,0|0,0,2]=4 3572 B15R1.1076 CC(C)CC(=O)CC(C)c1ccccc1 1458a_100000210554_100000756946 [0,1,0,0,1,0|0,0,2]=4 3573 B15R1.1076 CC(C)CC(=O)CC(O)c1ccccc1 1458a_100000210554_100000185958 [0,1,0,0,1,0|0,0,2]=4 3574 B15R1.1076 CC(C)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210624 [0,1,0,0,1,0|0,0,2]=4 3575 B15R1.1076 CC(C)CC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210624 [0,1,0,0,1,0|1,0,1]=4 3576 B15R1.1076 CC(C)CC(=O)C[C@@H](O)c1ccccc1 1458a_100000210554_100011933945 [0,1,0,0,1,0|0,0,2]=4 3577 B15R1.1076 CC(C)CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210554 [0,1,0,0,1,0|1,0,1]=4 3578 B15R1.1076 CC(C)CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210554 [0,1,0,0,1,0|1,0,1]=4 3579 B15R1.1076 CC(C)CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210554 [0,1,0,0,1,0|1,0,1]=4 3580 B15R1.1076 CC(C)CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210554 [0,1,0,0,1,0|1,0,1]=4 3581 B15R1.1076 CC(C)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183996 [0,1,0,0,1,0|1,0,1]=4 3582 B15R1.1076 CC(C)OC(=O)CC(=O)c1ccccc1 1458a_100000185807_100011215430 [0,1,0,0,1,0|0,0,1]=3 3583 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 2230a_100000210012_100011215430 [0,1,0,0,1,0|1,0,1]=4 3584 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 269982a_100000210012_100011215430 [0,1,0,0,1,0|1,0,1]=4 3585 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 34a_100000210012_100011215430 [0,1,0,0,1,0|1,0,1]=4 3586 B15R1.1076 CN(C)CC(=O)CC(=O)c1ccccc1 1458a_100000750896_100000211460 [0,1,0,0,1,0|1,0,1]=4 3587 B15R1.1076 CN(C)CC(=O)NC(=O)c1ccccc1 269982a_100102631434_100000010347 [0,1,0,0,1,0|2,0,0]=4 3588 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1ccccc1 1458a_100011933948_100000211460 [0,1,0,0,1,0|1,0,1]=4 3589 B15R1.1076 C[S+](C)CC(=O)CC(=O)c1ccccc1 1458a_200159257847_100000211460 [0,1,0,0,1,0|1,0,1]=4 3590 B15R1.3465 CC(C)(C)CC(=O)C=Cc1cncnc1 6a_100000749868_100011215313 [0,1,0,0,1,0|2,0,0]=4 3591 B15R1.3465 CC(C)(C)CC(=O)CCc1ccccc1 1458a_100000211214_100000765856 [0,1,0,0,1,0|0,0,2]=4 3592 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 11a_100015324214_100000211214 [0,1,0,0,1,0|1,0,1]=4 3593 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 1626a_100015324214_100000211214 [0,1,0,0,1,0|1,0,1]=4 3594 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 240690a_100015324214_100000211214 [0,1,0,0,1,0|1,0,1]=4 3595 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 527a_100015324214_100000211214 [0,1,0,0,1,0|1,0,1]=4 3596 B15R1.3465 CC(C)(C)CC(=O)NNc1ccccc1 22a_100015195140_100000211214 [0,1,0,0,1,0|2,0,0]=4 3597 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccc1 11a_100000715429_100000210462 [0,1,0,0,1,0|1,0,0]=3 3598 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100000715429_100000210462 [0,1,0,0,1,0|1,0,0]=3 3599 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccn1 11a_100000715429_100000740811 [0,1,0,0,1,0|2,0,0]=4 3600 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccn1 240690a_100000715429_100000740811 [0,1,0,0,1,0|2,0,0]=4 3601 B15R1.3465 CC(C)(C)NC(=O)C=Cc1cccnc1 11a_100000715429_100000735890 [0,1,0,0,1,0|2,0,0]=4 3602 B15R1.3465 CC(C)(C)NC(=O)C=Cc1cccnc1 240690a_100000715429_100000735890 [0,1,0,0,1,0|2,0,0]=4 3603 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccncc1 240690a_100000715429_100000682801 [0,1,0,0,1,0|2,0,0]=4 3604 B15R1.3465 CC(C)(C)OC(=O)CNc1ccccc1 34a_100000106764_100000183872 [0,1,0,0,1,0|1,0,1]=4 3605 B15R1.3465 CC(C)(C)OC(=O)COc1ccccc1 34a_100000210340_100000183872 [0,1,0,0,1,0|1,0,1]=4 3606 B15R1.3465 CC(C)(C)OC(=O)COc1ccccc1 7a_100000210340_100000183872 [0,1,0,0,1,0|1,0,1]=4 3607 B15R1.3465 CC(C)(C)OC(=O)CSc1ccccc1 62a_100000183872_100000041952 [0,1,0,0,1,0|1,0,1]=4 3608 B15R1.3465 CC(C)(C)OC(=O)CSc1ccccc1 62a_100000719477_100000183872 [0,1,0,0,1,0|1,0,1]=4 3609 B15R1.3465 CC(C)(O)CC(=O)CCc1ccccc1 1458a_100000693243_100000765856 [0,1,0,0,1,0|0,0,2]=4 3610 B15R1.3465 CC(C)(O)CC(=O)NCc1ccccc1 527a_100015324214_100000693243 [0,1,0,0,1,0|1,0,1]=4 3611 B15R1.3465 CC(C)(O)CC(=O)NNc1ccccc1 22a_100015195140_100000693243 [0,1,0,0,1,0|2,0,0]=4 3612 B15R1.3465 C[Si](C)(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000233785 [0,1,0,0,1,0|0,1,0]=3 3613 B15R1.3465 C[Si](C)(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000233785 [0,1,0,0,1,0|1,1,0]=4 3614 B15R1.3465 C[Si](C)(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000233785 [0,1,0,0,1,0|1,1,0]=4 3615 B15R1.3465 C[Si](C)(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000233785 [0,1,0,0,1,0|1,1,0]=4 3616 B15R1.3678 CC(=O)C(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000179758 [0,1,0,0,1,0|1,0,1]=4 3617 B15R1.3678 CC(C)C(C)C(=O)CCc1ccccc1 1458a_100000755409_100000765856 [0,1,0,0,1,0|0,0,2]=4 3618 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 11a_100015324214_100000755409 [0,1,0,0,1,0|1,0,1]=4 3619 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000755409 [0,1,0,0,1,0|1,0,1]=4 3620 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 240690a_100015324214_100000755409 [0,1,0,0,1,0|1,0,1]=4 3621 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 527a_100015324214_100000755409 [0,1,0,0,1,0|1,0,1]=4 3622 B15R1.3678 CC(C)C(C)C(=O)NNc1ccccc1 22a_100015195140_100000755409 [0,1,0,0,1,0|2,0,0]=4 3623 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccc1 11a_200000211004_100000210462 [0,1,0,0,1,0|1,0,0]=3 3624 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccc1 1626a_200000211004_100000210462 [0,1,0,0,1,0|1,0,0]=3 3625 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccn1 11a_200000211004_100000740811 [0,1,0,0,1,0|2,0,0]=4 3626 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccn1 240690a_200000211004_100000740811 [0,1,0,0,1,0|2,0,0]=4 3627 B15R1.3678 CC(C)N(C)C(=O)C=Cc1cccnc1 11a_200000211004_100000735890 [0,1,0,0,1,0|2,0,0]=4 3628 B15R1.3678 CC(C)N(C)C(=O)C=Cc1cccnc1 240690a_200000211004_100000735890 [0,1,0,0,1,0|2,0,0]=4 3629 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccncc1 240690a_200000211004_100000682801 [0,1,0,0,1,0|2,0,0]=4 3630 B15R1.3678 CC(C)[C@@H](O)C(=O)CCc1ccccc1 1458a_100000691806_100000765856 [0,1,0,0,1,0|0,0,2]=4 3631 B15R1.3678 CC(C)[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000691806 [0,1,0,0,1,0|1,0,1]=4 3632 B15R1.3678 CC(C)[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000691806 [0,1,0,0,1,0|2,0,0]=4 3633 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000748629 [0,1,0,0,1,0|0,0,2]=4 3634 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000748629 [0,1,0,0,1,0|0,0,2]=4 3635 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000748629 [0,1,0,0,1,0|0,0,2]=4 3636 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000748629 [0,1,0,0,1,0|0,0,2]=4 3637 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000748629 [0,1,0,0,1,0|0,0,2]=4 3638 B15R1.8263 CC(C)CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210624 [0,1,0,0,1,0|0,0,2]=4 3639 B15R1.8263 CC(C)CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210624 [0,1,0,0,1,0|0,0,2]=4 3640 B15R1.8263 CC(C)CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210624 [0,1,0,0,1,0|0,0,2]=4 3641 B15R1.8263 CC(C)CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210624 [0,1,0,0,1,0|0,0,2]=4 3642 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210624 [0,1,0,0,1,0|0,0,0]=2 3643 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210624 [0,1,0,0,1,0|0,0,0]=2 3644 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210624 [0,1,0,0,1,0|0,0,0]=2 3645 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210624 [0,1,0,0,1,0|0,0,0]=2 3646 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210624 [0,1,0,0,1,0|0,0,2]=4 3647 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)Br 1458a_100000210554_100011740638 [0,1,0,0,1,0|0,0,2]=4 3648 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)Cl 1458a_100000210554_100011713710 [0,1,0,0,1,0|0,0,2]=4 3649 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210624 [0,1,0,0,1,0|0,0,2]=4 3650 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)F 1458a_100000210554_100011217235 [0,1,0,0,1,0|0,0,2]=4 3651 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210624 [0,1,0,0,1,0|0,0,2]=4 3652 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210624 [0,1,0,0,1,0|0,0,2]=4 3653 B15R1.8263 CC(C)CC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210624 [0,1,0,0,1,0|0,0,2]=4 3654 B15R1.8263 CC(C)CC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210624 [0,1,0,0,1,0|1,0,1]=4 3655 B15R1.8263 CC(C)CC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210624 [0,1,0,0,1,0|1,0,1]=4 3656 B15R1.8263 CC(C)CC(=O)COc1cccc(c1)F 1458a_100000182781_100000210624 [0,1,0,0,1,0|1,0,1]=4 3657 B15R1.8263 CC(C)CC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210624 [0,1,0,0,1,0|1,0,1]=4 3658 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210554 [0,1,0,0,1,0|1,0,1]=4 3659 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210554 [0,1,0,0,1,0|1,0,1]=4 3660 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210554 [0,1,0,0,1,0|1,0,1]=4 3661 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210554 [0,1,0,0,1,0|1,0,1]=4 3662 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210554 [0,1,0,0,1,0|1,0,1]=4 3663 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210554 [0,1,0,0,1,0|1,0,1]=4 3664 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210554 [0,1,0,0,1,0|1,0,1]=4 3665 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210554 [0,1,0,0,1,0|1,0,1]=4 3666 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)F 11a_100000174948_100000210554 [0,1,0,0,1,0|1,0,1]=4 3667 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210554 [0,1,0,0,1,0|1,0,1]=4 3668 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210554 [0,1,0,0,1,0|1,0,1]=4 3669 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)F 527a_100000174948_100000210554 [0,1,0,0,1,0|1,0,1]=4 3670 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)I 11a_100000106179_100000210554 [0,1,0,0,1,0|1,0,1]=4 3671 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210554 [0,1,0,0,1,0|1,0,1]=4 3672 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210554 [0,1,0,0,1,0|1,0,1]=4 3673 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)I 527a_100000106179_100000210554 [0,1,0,0,1,0|1,0,1]=4 3674 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210554 [0,1,0,0,1,0|1,0,1]=4 3675 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)O 527a_100000743036_100000210554 [0,1,0,0,1,0|1,0,1]=4 3676 B15R1.8263 CC(C)CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210554 [0,1,0,0,1,0|2,0,0]=4 3677 B15R1.8263 CC(C)CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210554 [0,1,0,0,1,0|2,0,0]=4 3678 B15R1.8263 CC(C)CC(=O)NNc1cccc(c1)F 22a_100000745080_100000210554 [0,1,0,0,1,0|2,0,0]=4 3679 B15R1.8263 CC(C)CC(=O)NNc1cccc(c1)I 22a_100020605690_100000210554 [0,1,0,0,1,0|2,0,0]=4 3680 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Br 11a_100138425928_100016258244 [0,1,0,0,1,0|1,0,0]=3 3681 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Br 1626a_100138425928_100016258244 [0,1,0,0,1,0|1,0,0]=3 3682 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Br 240690a_100138425928_100016258244 [0,1,0,0,1,0|1,0,0]=3 3683 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl 11a_100138425928_100000184502 [0,1,0,0,1,0|1,0,0]=3 3684 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100138425928_100000184502 [0,1,0,0,1,0|1,0,0]=3 3685 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100138425928_100000184502 [0,1,0,0,1,0|1,0,0]=3 3686 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)F 11a_100138425928_100000718793 [0,1,0,0,1,0|1,0,0]=3 3687 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)F 1626a_100138425928_100000718793 [0,1,0,0,1,0|1,0,0]=3 3688 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)F 240690a_100138425928_100000718793 [0,1,0,0,1,0|1,0,0]=3 3689 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)I 11a_100138425928_100020647043 [0,1,0,0,1,0|1,0,0]=3 3690 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)I 1626a_100138425928_100020647043 [0,1,0,0,1,0|1,0,0]=3 3691 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)I 240690a_100138425928_100020647043 [0,1,0,0,1,0|1,0,0]=3 3692 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)Br 34a_100000210019_100011215430 [0,1,0,0,1,0|1,0,1]=4 3693 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)Cl 34a_100000185859_100011215430 [0,1,0,0,1,0|1,0,1]=4 3694 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)F 34a_100000210047_100011215430 [0,1,0,0,1,0|1,0,1]=4 3695 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)I 34a_100000211102_100011215430 [0,1,0,0,1,0|1,0,1]=4 3696 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)O 34a_100000210217_100011215430 [0,1,0,0,1,0|1,0,1]=4 3697 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Br 34a_100000210342_100011215430 [0,1,0,0,1,0|1,0,1]=4 3698 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Br 7a_100000210342_100011215430 [0,1,0,0,1,0|1,0,1]=4 3699 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Cl 34a_100000210295_100011215430 [0,1,0,0,1,0|1,0,1]=4 3700 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Cl 7a_100000210295_100011215430 [0,1,0,0,1,0|1,0,1]=4 3701 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)F 34a_100000210426_100011215430 [0,1,0,0,1,0|1,0,1]=4 3702 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)F 7a_100000210426_100011215430 [0,1,0,0,1,0|1,0,1]=4 3703 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)I 34a_100000211634_100011215430 [0,1,0,0,1,0|1,0,1]=4 3704 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)I 7a_100000211634_100011215430 [0,1,0,0,1,0|1,0,1]=4 3705 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)N 34a_100000210217_100011215430 [0,1,0,0,1,0|1,0,1]=4 3706 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Br 62a_100000691529_100011215430 [0,1,0,0,1,0|1,0,1]=4 3707 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Br 62a_100011215430_100000691529 [0,1,0,0,1,0|1,0,1]=4 3708 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Cl 62a_100000699651_100011215430 [0,1,0,0,1,0|1,0,1]=4 3709 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Cl 62a_100011215430_100000699651 [0,1,0,0,1,0|1,0,1]=4 3710 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)F 62a_100000685547_100011215430 [0,1,0,0,1,0|1,0,1]=4 3711 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)F 62a_100011215430_100000685547 [0,1,0,0,1,0|1,0,1]=4 3712 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)N 62a_100000210019_100011215430 [0,1,0,0,1,0|1,0,1]=4 3713 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)N 62a_100011215430_100000210019 [0,1,0,0,1,0|1,0,1]=4 3714 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)O 62a_100011215430_100000211634 [0,1,0,0,1,0|1,0,1]=4 3715 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)[S] 62a_100011215430_114929384022 [0,1,0,0,1,0|1,0,1]=4 3716 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)[S] 62a_114929384022_100011215430 [0,1,0,0,1,0|1,0,1]=4 3717 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011218427 [0,1,0,0,1,0|1,0,0]=3 3718 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011218427 [0,1,0,0,1,0|1,0,0]=3 3719 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011218427 [0,1,0,0,1,0|1,0,0]=3 3720 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011218427 [0,1,0,0,1,0|1,0,0]=3 3721 B15R1.8263 Cc1cccc(c1)C#CC(=O)CC(C)C 1458a_100011892726_100000210624 [0,1,0,0,1,0|0,0,2]=4 3722 B15R1.8263 Cc1cccc(c1)C=CC(=O)CC(C)C 1458a_100000690095_100000210624 [0,1,0,0,1,0|0,0,0]=2 3723 B15R1.8263 Cc1cccc(c1)C=CC(=O)CC(C)O 1458a_100000690095_100011218427 [0,1,0,0,1,0|1,0,0]=3 3724 B15R1.8263 Cc1cccc(c1)C=CC(=O)CC(F)F 1458a_100000690095_100011934356 [0,1,0,0,1,0|2,0,0]=4 3725 B15R1.8263 Cc1cccc(c1)C=CC(=O)NC(C)C 11a_100138425928_100000690095 [0,1,0,0,1,0|1,0,0]=3 3726 B15R1.8263 Cc1cccc(c1)C=CC(=O)NC(C)C 1626a_100138425928_100000690095 [0,1,0,0,1,0|1,0,0]=3 3727 B15R1.8263 Cc1cccc(c1)C=CC(=O)NC(C)C 240690a_100138425928_100000690095 [0,1,0,0,1,0|1,0,0]=3 3728 B15R1.8263 Cc1cccc(c1)CCC(=O)CC(C)C 1458a_100000210554_100011713685 [0,1,0,0,1,0|0,0,2]=4 3729 B15R1.8263 Cc1cccc(c1)CCC(=O)CC(C)C 1458a_100000234952_100000210624 [0,1,0,0,1,0|0,0,2]=4 3730 B15R1.8263 Cc1cccc(c1)CNC(=O)CC(C)C 11a_100000185548_100000210554 [0,1,0,0,1,0|1,0,1]=4 3731 B15R1.8263 Cc1cccc(c1)CNC(=O)CC(C)C 1626a_100000185548_100000210554 [0,1,0,0,1,0|1,0,1]=4 3732 B15R1.8263 Cc1cccc(c1)CNC(=O)CC(C)C 240690a_100000185548_100000210554 [0,1,0,0,1,0|1,0,1]=4 3733 B15R1.8263 Cc1cccc(c1)CNC(=O)CC(C)C 527a_100000185548_100000210554 [0,1,0,0,1,0|1,0,1]=4 3734 B15R1.8263 Cc1cccc(c1)NCC(=O)OC(C)C 2230a_100000188690_100011215430 [0,1,0,0,1,0|1,0,1]=4 3735 B15R1.8263 Cc1cccc(c1)NCC(=O)OC(C)C 34a_100000188690_100011215430 [0,1,0,0,1,0|1,0,1]=4 3736 B15R1.8263 Cc1cccc(c1)NNC(=O)CC(C)C 22a_100000681630_100000210554 [0,1,0,0,1,0|2,0,0]=4 3737 B15R1.8263 Cc1cccc(c1)OCC(=O)CC(C)C 1458a_100000183606_100000210624 [0,1,0,0,1,0|1,0,1]=4 3738 B15R1.8263 Cc1cccc(c1)OCC(=O)OC(C)C 34a_100000210337_100011215430 [0,1,0,0,1,0|1,0,1]=4 3739 B15R1.8263 Cc1cccc(c1)OCC(=O)OC(C)C 7a_100000210337_100011215430 [0,1,0,0,1,0|1,0,1]=4 3740 B15R1.8263 Cc1cccc(c1)SCC(=O)OC(C)C 62a_100011215228_100011215430 [0,1,0,0,1,0|1,0,1]=4 3741 B15R1.8263 Cc1cccc(c1)SCC(=O)OC(C)C 62a_100011215430_100011215228 [0,1,0,0,1,0|1,0,1]=4 3742 B15R1.8263 O=C(C=Cc1cccc(c1)Br)CC(F)F 1458a_100016258244_100011934356 [0,1,0,0,1,0|2,0,0]=4 3743 B15R1.8263 O=C(C=Cc1cccc(c1)Cl)CC(F)F 1458a_100000184502_100011934356 [0,1,0,0,1,0|2,0,0]=4 3744 B15R1.8263 O=C(C=Cc1cccc(c1)F)CC(F)F 1458a_100000718793_100011934356 [0,1,0,0,1,0|2,0,0]=4 3745 B15R1.8263 O=C(C=Cc1cccc(c1)I)CC(F)F 1458a_100020647043_100011934356 [0,1,0,0,1,0|2,0,0]=4 3746 B15R1.355 Cc1ccsc1C=CC(=O)CCC(C)C 1458a_100000185125_100000210312 [0,1,0,0,1,0|2,0,0]=4 3747 B15R1.355 Cc1ccsc1C=CC(=O)NCC(C)C 11a_100000210953_100000185125 [0,1,0,0,1,0|2,0,0]=4 3748 B15R1.355 Cc1ccsc1C=CC(=O)NCC(C)C 1626a_100000210953_100000185125 [0,1,0,0,1,0|2,0,0]=4 3749 B15R1.355 Cc1ccsc1C=CC(=O)NCC(C)C 240690a_100000210953_100000185125 [0,1,0,0,1,0|2,0,0]=4 3750 B15R1.355 Cc1ccsc1C=CC(=O)NCC(C)C 527a_100000210953_100000185125 [0,1,0,0,1,0|2,0,0]=4 3751 B15R1.1077 CC(=Cc1ccco1)C(=O)CCC(C)C 1458a_100011995979_100000210312 [0,1,0,0,1,0|2,0,0]=4 3752 B15R1.1077 CC(=Cc1ccco1)C(=O)NCC(C)C 11a_100000210953_100011995979 [0,1,0,0,1,0|2,0,0]=4 3753 B15R1.1077 CC(=Cc1ccco1)C(=O)NCC(C)C 1626a_100000210953_100011995979 [0,1,0,0,1,0|2,0,0]=4 3754 B15R1.1077 CC(=Cc1ccco1)C(=O)NCC(C)C 527a_100000210953_100011995979 [0,1,0,0,1,0|2,0,0]=4 3755 B15R1.1115 CC(CO)CNC(=O)C=Cc1cccs1 240690a_100000744482_100000182767 [0,1,0,0,1,0|2,0,0]=4 3756 B15R1.1115 CC(CO)CNC(=O)C=Cc1ccoc1 240690a_100000744482_100000238621 [0,1,0,0,1,0|2,0,0]=4 3757 B15R1.1115 CC(CO)CNC(=O)C=Cc1ccsc1 240690a_100000744482_100000698588 [0,1,0,0,1,0|2,0,0]=4 3758 B15R1.1115 CC(CO)CNC(=O)C=Cc1ccsc1 527a_100000744482_100000698588 [0,1,0,0,1,0|2,0,0]=4 3759 B15R1.1115 CCC(C)CNC(=O)C=Cc1cccs1 11a_100020588543_100000182767 [0,1,0,0,1,0|2,0,0]=4 3760 B15R1.1115 CCC(C)CNC(=O)C=Cc1cccs1 1626a_100020588543_100000182767 [0,1,0,0,1,0|2,0,0]=4 3761 B15R1.1115 CCC(C)CNC(=O)C=Cc1cccs1 240690a_100020588543_100000182767 [0,1,0,0,1,0|2,0,0]=4 3762 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccoc1 11a_100020588543_100000238621 [0,1,0,0,1,0|2,0,0]=4 3763 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccoc1 1626a_100020588543_100000238621 [0,1,0,0,1,0|2,0,0]=4 3764 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccoc1 240690a_100020588543_100000238621 [0,1,0,0,1,0|2,0,0]=4 3765 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 11a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 3766 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 1626a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 3767 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 240690a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 3768 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 527a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 3769 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1cccs1 11a_100020591295_100000182767 [0,1,0,0,1,0|2,0,0]=4 3770 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1cccs1 1626a_100020591295_100000182767 [0,1,0,0,1,0|2,0,0]=4 3771 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1cccs1 240690a_100020591295_100000182767 [0,1,0,0,1,0|2,0,0]=4 3772 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1ccoc1 11a_100020591295_100000238621 [0,1,0,0,1,0|2,0,0]=4 3773 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1ccoc1 1626a_100020591295_100000238621 [0,1,0,0,1,0|2,0,0]=4 3774 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1ccoc1 240690a_100020591295_100000238621 [0,1,0,0,1,0|2,0,0]=4 3775 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1ccsc1 11a_100020591295_100000698588 [0,1,0,0,1,0|2,0,0]=4 3776 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1ccsc1 1626a_100020591295_100000698588 [0,1,0,0,1,0|2,0,0]=4 3777 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1ccsc1 240690a_100020591295_100000698588 [0,1,0,0,1,0|2,0,0]=4 3778 B15R1.1115 CO[C@H](C)CNC(=O)C=Cc1ccsc1 527a_100020591295_100000698588 [0,1,0,0,1,0|2,0,0]=4 3779 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1cccs1 11a_100000211541_100000182767 [0,1,0,0,1,0|2,0,0]=4 3780 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1cccs1 1626a_100000211541_100000182767 [0,1,0,0,1,0|2,0,0]=4 3781 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1cccs1 240690a_100000211541_100000182767 [0,1,0,0,1,0|2,0,0]=4 3782 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1ccoc1 11a_100000211541_100000238621 [0,1,0,0,1,0|2,0,0]=4 3783 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1ccoc1 1626a_100000211541_100000238621 [0,1,0,0,1,0|2,0,0]=4 3784 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1ccoc1 240690a_100000211541_100000238621 [0,1,0,0,1,0|2,0,0]=4 3785 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1ccsc1 11a_100000211541_100000698588 [0,1,0,0,1,0|2,0,0]=4 3786 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1ccsc1 1626a_100000211541_100000698588 [0,1,0,0,1,0|2,0,0]=4 3787 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1ccsc1 240690a_100000211541_100000698588 [0,1,0,0,1,0|2,0,0]=4 3788 B15R1.3662 CC(C)C(C)NC(=O)C=Cc1ccsc1 527a_100000211541_100000698588 [0,1,0,0,1,0|2,0,0]=4 3789 B15R1.5464 CC(C)CCC(=O)C=Cc1cc(c[nH]1)I 6a_100000071964_100000210476 [0,1,0,0,1,0|2,0,0]=4 3790 B15R1.5464 CC(C)CCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000210476 [0,1,0,0,1,0|2,0,0]=4 3791 B15R1.5464 CC(C)CCC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_100000210312 [0,1,0,0,1,0|2,0,0]=4 3792 B15R1.5464 CC(C)CCC(=O)C=Cc1cc(cs1)Br 6a_100000211722_100000210476 [0,1,0,0,1,0|2,0,0]=4 3793 B15R1.5464 CC(C)CCC(=O)C=Cc1cc(cs1)I 6a_100010179861_100000210476 [0,1,0,0,1,0|2,0,0]=4 3794 B15R1.5464 CC(C)CCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210312 [0,1,0,0,1,0|2,0,0]=4 3795 B15R1.5464 CC(C)CCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210312 [0,1,0,0,1,0|2,0,0]=4 3796 B15R1.5464 CC(C)CCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000210476 [0,1,0,0,1,0|2,0,0]=4 3797 B15R1.5464 CC(C)CCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100000210312 [0,1,0,0,1,0|2,0,0]=4 3798 B15R1.5464 CC(C)CCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100000210312 [0,1,0,0,1,0|2,0,0]=4 3799 B15R1.5464 CC(C)CCC(=O)C=Cc1csc(c1)Br 6a_100000737087_100000210476 [0,1,0,0,1,0|2,0,0]=4 3800 B15R1.5464 CC(C)CNC(=O)C=Cc1cc(cs1)Br 11a_100000210953_100102601599 [0,1,0,0,1,0|2,0,0]=4 3801 B15R1.5464 CC(C)CNC(=O)C=Cc1cc(cs1)Br 1626a_100000210953_100102601599 [0,1,0,0,1,0|2,0,0]=4 3802 B15R1.5464 CC(C)CNC(=O)C=Cc1cc(cs1)Br 240690a_100000210953_100102601599 [0,1,0,0,1,0|2,0,0]=4 3803 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(o1)Br 11a_100000210953_100000182240 [0,1,0,0,1,0|2,0,0]=4 3804 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(o1)Br 240690a_100000210953_100000182240 [0,1,0,0,1,0|2,0,0]=4 3805 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(o1)I 11a_100000210953_100000679848 [0,1,0,0,1,0|2,0,0]=4 3806 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(o1)I 1626a_100000210953_100000679848 [0,1,0,0,1,0|2,0,0]=4 3807 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(o1)I 240690a_100000210953_100000679848 [0,1,0,0,1,0|2,0,0]=4 3808 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(s1)Br 11a_100000210953_100102558031 [0,1,0,0,1,0|2,0,0]=4 3809 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(s1)Br 1626a_100000210953_100102558031 [0,1,0,0,1,0|2,0,0]=4 3810 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(s1)Br 240690a_100000210953_100102558031 [0,1,0,0,1,0|2,0,0]=4 3811 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(s1)Cl 11a_100000210953_100102558157 [0,1,0,0,1,0|2,0,0]=4 3812 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(s1)Cl 1626a_100000210953_100102558157 [0,1,0,0,1,0|2,0,0]=4 3813 B15R1.5464 CC(C)CNC(=O)C=Cc1ccc(s1)Cl 240690a_100000210953_100102558157 [0,1,0,0,1,0|2,0,0]=4 3814 B15R1.5464 Cc1ccc(o1)C=CC(=O)CCC(C)C 1458a_100000183563_100000210312 [0,1,0,0,1,0|2,0,0]=4 3815 B15R1.5464 Cc1ccc(o1)C=CC(=O)NCC(C)C 11a_100000210953_100000183563 [0,1,0,0,1,0|2,0,0]=4 3816 B15R1.5464 Cc1ccc(o1)C=CC(=O)NCC(C)C 1626a_100000210953_100000183563 [0,1,0,0,1,0|2,0,0]=4 3817 B15R1.5464 Cc1ccc(o1)C=CC(=O)NCC(C)C 240690a_100000210953_100000183563 [0,1,0,0,1,0|2,0,0]=4 3818 B15R1.5464 Cc1ccc(o1)C=CC(=O)NCC(C)C 527a_100000210953_100000183563 [0,1,0,0,1,0|2,0,0]=4 3819 B15R1.5464 Cc1ccc(s1)C=CC(=O)CCC(C)C 1458a_100102558089_100000210312 [0,1,0,0,1,0|2,0,0]=4 3820 B15R1.5464 Cc1ccc(s1)C=CC(=O)NCC(C)C 11a_100000210953_100102558089 [0,1,0,0,1,0|2,0,0]=4 3821 B15R1.5464 Cc1ccc(s1)C=CC(=O)NCC(C)C 1626a_100000210953_100102558089 [0,1,0,0,1,0|2,0,0]=4 3822 B15R1.5464 Cc1ccc(s1)C=CC(=O)NCC(C)C 240690a_100000210953_100102558089 [0,1,0,0,1,0|2,0,0]=4 3823 B15R1.5512 CC(C)CC(C)C(=O)C=Cc1cccs1 1458a_100000182767_100000731052 [0,1,0,0,1,0|2,0,0]=4 3824 B15R1.5512 CC(C)CC(C)C(=O)C=Cc1ccoc1 1458a_100000238621_100000731052 [0,1,0,0,1,0|2,0,0]=4 3825 B15R1.5512 CC(C)CC(C)C(=O)C=Cc1ccsc1 1458a_100000698588_100000731052 [0,1,0,0,1,0|2,0,0]=4 3826 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1cccs1 11a_100000747067_100000182767 [0,1,0,0,1,0|2,0,0]=4 3827 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1cccs1 1626a_100000747067_100000182767 [0,1,0,0,1,0|2,0,0]=4 3828 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1cccs1 240690a_100000747067_100000182767 [0,1,0,0,1,0|2,0,0]=4 3829 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1ccoc1 11a_100000747067_100000238621 [0,1,0,0,1,0|2,0,0]=4 3830 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1ccoc1 1626a_100000747067_100000238621 [0,1,0,0,1,0|2,0,0]=4 3831 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1ccoc1 240690a_100000747067_100000238621 [0,1,0,0,1,0|2,0,0]=4 3832 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1ccsc1 11a_100000747067_100000698588 [0,1,0,0,1,0|2,0,0]=4 3833 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1ccsc1 1626a_100000747067_100000698588 [0,1,0,0,1,0|2,0,0]=4 3834 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1ccsc1 240690a_100000747067_100000698588 [0,1,0,0,1,0|2,0,0]=4 3835 B15R1.5512 CC(C)CN(C)C(=O)C=Cc1ccsc1 527a_100000747067_100000698588 [0,1,0,0,1,0|2,0,0]=4 3836 B15R1.14834 CC(C)(C)CCC(=O)C=Cc1cccs1 1458a_100000182767_100000755188 [0,1,0,0,1,0|2,0,0]=4 3837 B15R1.14834 CC(C)(C)CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000755188 [0,1,0,0,1,0|2,0,0]=4 3838 B15R1.14834 CC(C)(C)CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000755188 [0,1,0,0,1,0|2,0,0]=4 3839 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1cccs1 11a_100000743828_100000182767 [0,1,0,0,1,0|2,0,0]=4 3840 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1cccs1 1626a_100000743828_100000182767 [0,1,0,0,1,0|2,0,0]=4 3841 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1cccs1 240690a_100000743828_100000182767 [0,1,0,0,1,0|2,0,0]=4 3842 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1ccoc1 11a_100000743828_100000238621 [0,1,0,0,1,0|2,0,0]=4 3843 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1ccoc1 1626a_100000743828_100000238621 [0,1,0,0,1,0|2,0,0]=4 3844 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1ccoc1 240690a_100000743828_100000238621 [0,1,0,0,1,0|2,0,0]=4 3845 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1ccsc1 11a_100000743828_100000698588 [0,1,0,0,1,0|2,0,0]=4 3846 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1ccsc1 1626a_100000743828_100000698588 [0,1,0,0,1,0|2,0,0]=4 3847 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1ccsc1 240690a_100000743828_100000698588 [0,1,0,0,1,0|2,0,0]=4 3848 B15R1.14834 CC(C)(C)CNC(=O)C=Cc1ccsc1 527a_100000743828_100000698588 [0,1,0,0,1,0|2,0,0]=4 3849 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1cccs1 11a_100020643315_100000182767 [0,1,0,0,1,0|2,0,0]=4 3850 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1cccs1 1626a_100020643315_100000182767 [0,1,0,0,1,0|2,0,0]=4 3851 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1cccs1 240690a_100020643315_100000182767 [0,1,0,0,1,0|2,0,0]=4 3852 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1ccoc1 11a_100020643315_100000238621 [0,1,0,0,1,0|2,0,0]=4 3853 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1ccoc1 1626a_100020643315_100000238621 [0,1,0,0,1,0|2,0,0]=4 3854 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1ccoc1 240690a_100020643315_100000238621 [0,1,0,0,1,0|2,0,0]=4 3855 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1ccsc1 11a_100020643315_100000698588 [0,1,0,0,1,0|2,0,0]=4 3856 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1ccsc1 1626a_100020643315_100000698588 [0,1,0,0,1,0|2,0,0]=4 3857 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1ccsc1 240690a_100020643315_100000698588 [0,1,0,0,1,0|2,0,0]=4 3858 B15R1.14834 CC(C)(F)CNC(=O)C=Cc1ccsc1 527a_100020643315_100000698588 [0,1,0,0,1,0|2,0,0]=4 3859 B15R1.14834 CC(C)(O)CNC(=O)C=Cc1cccs1 1626a_100000751335_100000182767 [0,1,0,0,1,0|2,0,0]=4 3860 B15R1.14834 CC(C)(O)CNC(=O)C=Cc1cccs1 240690a_100000751335_100000182767 [0,1,0,0,1,0|2,0,0]=4 3861 B15R1.14834 CC(C)(O)CNC(=O)C=Cc1ccoc1 1626a_100000751335_100000238621 [0,1,0,0,1,0|2,0,0]=4 3862 B15R1.14834 CC(C)(O)CNC(=O)C=Cc1ccoc1 240690a_100000751335_100000238621 [0,1,0,0,1,0|2,0,0]=4 3863 B15R1.14834 CC(C)(O)CNC(=O)C=Cc1ccsc1 1626a_100000751335_100000698588 [0,1,0,0,1,0|2,0,0]=4 3864 B15R1.14834 CC(C)(O)CNC(=O)C=Cc1ccsc1 240690a_100000751335_100000698588 [0,1,0,0,1,0|2,0,0]=4 3865 B15R1.14834 CC(C)(O)CNC(=O)C=Cc1ccsc1 527a_100000751335_100000698588 [0,1,0,0,1,0|2,0,0]=4 3866 B17R1.675 CC(=CC(=O)CCCC(C)C)c1ccccc1 1458a_100000743005_100011214892 [0,1,0,0,0,1|1,0,0]=3 3867 B17R1.675 CC(=CC(=O)CCCC(C)O)c1ccccc1 1458a_100000743005_200000718107 [0,1,0,0,0,1|2,0,0]=4 3868 B17R1.675 CC(=CC(=O)CCCN(C)C)c1ccccc1 1458a_100000743005_100000695564 [0,1,0,0,0,1|2,0,0]=4 3869 B17R1.675 CC(=CC(=O)CCOC(C)C)c1ccccc1 1458a_100000743005_100000211751 [0,1,0,0,0,1|1,0,0]=3 3870 B17R1.675 CC(=CC(=O)CCSC(C)C)c1ccccc1 1458a_100000743005_100000730970 [0,1,0,0,0,1|1,0,0]=3 3871 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 11a_100000210545_100000743005 [0,1,0,0,0,1|1,0,0]=3 3872 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 1626a_100000210545_100000743005 [0,1,0,0,0,1|1,0,0]=3 3873 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 240690a_100000210545_100000743005 [0,1,0,0,0,1|1,0,0]=3 3874 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 527a_100000210545_100000743005 [0,1,0,0,0,1|1,0,0]=3 3875 B17R1.675 CC(=CC(=O)NCCC(C)O)c1ccccc1 240690a_200000755665_100000743005 [0,1,0,0,0,1|2,0,0]=4 3876 B17R1.675 CC(=CC(=O)NCCC(C)O)c1ccccc1 527a_200000755665_100000743005 [0,1,0,0,0,1|2,0,0]=4 3877 B17R1.675 CC(=CC(=O)NCCN(C)C)c1ccccc1 240690a_100000210585_100000743005 [0,1,0,0,0,1|2,0,0]=4 3878 B17R1.675 CC(=CC(=O)NCCN(C)C)c1ccccc1 527a_100000210585_100000743005 [0,1,0,0,0,1|2,0,0]=4 3879 B17R1.675 CC(=CC(=O)NNCC(C)C)c1ccccc1 22a_100000696102_100000743005 [0,1,0,0,0,1|1,0,0]=3 3880 B17R1.675 CC(=CC(=O)NNCC(C)O)c1ccccc1 22a_200000730056_100000743005 [0,1,0,0,0,1|2,0,0]=4 3881 B17R1.675 CC(=CCCC(=O)C=C(C)c1ccccc1)C 1458a_100000743005_100011217483 [0,1,0,0,0,1|1,0,1]=4 3882 B17R1.675 CC(=CCNC(=O)C=C(C)c1ccccc1)C 11a_100000718196_100000743005 [0,1,0,0,0,1|1,0,1]=4 3883 B17R1.675 CC(=CCNC(=O)C=C(C)c1ccccc1)C 1626a_100000718196_100000743005 [0,1,0,0,0,1|1,0,1]=4 3884 B17R1.675 CC(=CCNC(=O)C=C(C)c1ccccc1)C 527a_100000718196_100000743005 [0,1,0,0,0,1|1,0,1]=4 3885 B17R1.675 CC(C)CCCC(=O)CC(=O)c1ccccc1 1458a_100011216857_100000211460 [0,1,0,0,0,1|1,0,1]=4 3886 B17R1.675 CC(C)COCC(=O)CC(=O)c1ccccc1 1458a_100011223364_100000211460 [0,1,0,0,0,1|0,0,1]=3 3887 B17R1.675 CC(C)COCC(=O)CC(=O)c1ccccn1 1458a_100011223364_100000027445 [0,1,0,0,0,1|1,0,1]=4 3888 B17R1.675 CC(C)COCC(=O)CC(=O)c1cccnc1 1458a_100011223364_100015188593 [0,1,0,0,0,1|1,0,1]=4 3889 B17R1.675 CC(C)COCC(=O)CC(=O)c1ccncc1 1458a_100011223364_100000027454 [0,1,0,0,0,1|1,0,1]=4 3890 B17R1.675 CC(C)COCC(=O)CC(C)c1ccccc1 1458a_100011223364_100000756946 [0,1,0,0,0,1|0,0,2]=4 3891 B17R1.675 CC(C)COCC(=O)CC(O)c1ccccc1 1458a_100011223364_100000185958 [0,1,0,0,0,1|0,0,2]=4 3892 B17R1.675 CC(C)COCC(=O)C[C@@H](O)c1ccccc1 1458a_100011223364_100011933945 [0,1,0,0,0,1|0,0,2]=4 3893 B17R1.675 CC(C)COCC(=O)NC(C)c1ccccc1 34a_100000210257_200000243715 [0,1,0,0,0,1|1,0,1]=4 3894 B17R1.675 CC(C)COCC(=O)N[C@@H](C)c1ccccc1 34a_100000210257_100011939912 [0,1,0,0,0,1|1,0,1]=4 3895 B17R1.675 CC(C)COCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100011223364 [0,1,0,0,0,1|1,0,1]=4 3896 B17R1.675 CC(C)COCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100011223364 [0,1,0,0,0,1|1,0,1]=4 3897 B17R1.675 CC(C)COCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100011223364 [0,1,0,0,0,1|1,0,1]=4 3898 B17R1.675 CC(C)COCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100011223364 [0,1,0,0,0,1|1,0,1]=4 3899 B17R1.675 CC(C)CSCC(=O)NC(=O)c1ccccc1 62a_100000210624_100000010347 [0,1,0,0,0,1|1,1,0]=4 3900 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)Br)C 1458a_100016267368_100011217483 [0,1,0,0,0,1|1,0,1]=4 3901 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)C)C 1458a_100000716854_100011217483 [0,1,0,0,0,1|1,0,1]=4 3902 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)Cl)C 1458a_100000184863_100011217483 [0,1,0,0,0,1|1,0,1]=4 3903 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)F)C 1458a_100000182136_100011217483 [0,1,0,0,0,1|1,0,1]=4 3904 B17R1.1079 CC(=CCCC(=O)C=Cc1ccc(cc1)I)C 1458a_100102526154_100011217483 [0,1,0,0,0,1|1,0,1]=4 3905 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Br)C 11a_100000718196_100016267368 [0,1,0,0,0,1|1,0,1]=4 3906 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Br)C 1626a_100000718196_100016267368 [0,1,0,0,0,1|1,0,1]=4 3907 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)C)C 11a_100000718196_100000716854 [0,1,0,0,0,1|1,0,1]=4 3908 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)C)C 1626a_100000718196_100000716854 [0,1,0,0,0,1|1,0,1]=4 3909 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Cl)C 11a_100000718196_100000184863 [0,1,0,0,0,1|1,0,1]=4 3910 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)Cl)C 1626a_100000718196_100000184863 [0,1,0,0,0,1|1,0,1]=4 3911 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)F)C 11a_100000718196_100000182136 [0,1,0,0,0,1|1,0,1]=4 3912 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)F)C 1626a_100000718196_100000182136 [0,1,0,0,0,1|1,0,1]=4 3913 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)I)C 11a_100000718196_100102526154 [0,1,0,0,0,1|1,0,1]=4 3914 B17R1.1079 CC(=CCNC(=O)C=Cc1ccc(cc1)I)C 1626a_100000718196_100102526154 [0,1,0,0,0,1|1,0,1]=4 3915 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214892 [0,1,0,0,0,1|1,0,0]=3 3916 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000753411 [0,1,0,0,0,1|1,0,0]=3 3917 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214892 [0,1,0,0,0,1|1,0,0]=3 3918 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214892 [0,1,0,0,0,1|1,0,0]=3 3919 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000753411 [0,1,0,0,0,1|1,0,0]=3 3920 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214892 [0,1,0,0,0,1|1,0,0]=3 3921 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000753411 [0,1,0,0,0,1|1,0,0]=3 3922 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000753411 [0,1,0,0,0,1|2,0,0]=4 3923 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011214892 [0,1,0,0,0,1|2,0,0]=4 3924 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000753411 [0,1,0,0,0,1|2,0,0]=4 3925 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011214892 [0,1,0,0,0,1|2,0,0]=4 3926 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000210545_100016267368 [0,1,0,0,0,1|1,0,0]=3 3927 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000210545_100016267368 [0,1,0,0,0,1|1,0,0]=3 3928 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210545_100000184863 [0,1,0,0,0,1|1,0,0]=3 3929 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000210545_100000184863 [0,1,0,0,0,1|1,0,0]=3 3930 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210545_100000184863 [0,1,0,0,0,1|1,0,0]=3 3931 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 11a_100000210545_100000182136 [0,1,0,0,0,1|1,0,0]=3 3932 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000210545_100000182136 [0,1,0,0,0,1|1,0,0]=3 3933 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000210545_100000182136 [0,1,0,0,0,1|1,0,0]=3 3934 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 11a_100000210545_100102526154 [0,1,0,0,0,1|1,0,0]=3 3935 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000210545_100102526154 [0,1,0,0,0,1|1,0,0]=3 3936 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000210545_100102526154 [0,1,0,0,0,1|1,0,0]=3 3937 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000210545_100016269017 [0,1,0,0,0,1|1,0,0]=3 3938 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 11a_100000210545_100020630499 [0,1,0,0,0,1|2,0,0]=4 3939 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 1626a_100000210545_100020630499 [0,1,0,0,0,1|2,0,0]=4 3940 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 240690a_100000210545_100020630499 [0,1,0,0,0,1|2,0,0]=4 3941 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 11a_100000210545_100020588214 [0,1,0,0,0,1|2,0,0]=4 3942 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000210545_100020588214 [0,1,0,0,0,1|2,0,0]=4 3943 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210545_100020588214 [0,1,0,0,0,1|2,0,0]=4 3944 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)Br 22a_100000696102_100016267368 [0,1,0,0,0,1|1,0,0]=3 3945 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000696102_100000184863 [0,1,0,0,0,1|1,0,0]=3 3946 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)F 22a_100000696102_100000182136 [0,1,0,0,0,1|1,0,0]=3 3947 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)I 22a_100000696102_100102526154 [0,1,0,0,0,1|1,0,0]=3 3948 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)O 22a_100000696102_100016269017 [0,1,0,0,0,1|1,0,0]=3 3949 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cn1)F 22a_100000696102_100020630499 [0,1,0,0,0,1|2,0,0]=4 3950 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(nc1)Br 22a_100000696102_100020588214 [0,1,0,0,0,1|2,0,0]=4 3951 B17R1.1079 CC(C)COCC(=O)CCc1ccc(cc1)Br 1458a_100011223364_100011740612 [0,1,0,0,0,1|0,0,2]=4 3952 B17R1.1079 CC(C)COCC(=O)CCc1ccc(cc1)Cl 1458a_100011223364_100011713675 [0,1,0,0,0,1|0,0,2]=4 3953 B17R1.1079 CC(C)COCC(=O)CCc1ccc(cc1)F 1458a_100011223364_100011217392 [0,1,0,0,0,1|0,0,2]=4 3954 B17R1.1079 CC(C)COCC(=O)CCc1ccc(cc1)O 1458a_100011223364_100009816426 [0,1,0,0,0,1|0,0,2]=4 3955 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100011223364 [0,1,0,0,0,1|1,0,1]=4 3956 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100011223364 [0,1,0,0,0,1|1,0,1]=4 3957 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100011223364 [0,1,0,0,0,1|1,0,1]=4 3958 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100011223364 [0,1,0,0,0,1|1,0,1]=4 3959 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100011223364 [0,1,0,0,0,1|1,0,1]=4 3960 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100011223364 [0,1,0,0,0,1|1,0,1]=4 3961 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100011223364 [0,1,0,0,0,1|1,0,1]=4 3962 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Cl 34a_100000210257_100000183476 [0,1,0,0,0,1|1,0,1]=4 3963 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100011223364 [0,1,0,0,0,1|1,0,1]=4 3964 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)F 11a_100000174882_100011223364 [0,1,0,0,0,1|1,0,1]=4 3965 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100011223364 [0,1,0,0,0,1|1,0,1]=4 3966 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100011223364 [0,1,0,0,0,1|1,0,1]=4 3967 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)F 34a_100000210257_100000182461 [0,1,0,0,0,1|1,0,1]=4 3968 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)F 527a_100000174882_100011223364 [0,1,0,0,0,1|1,0,1]=4 3969 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)I 11a_100016989417_100011223364 [0,1,0,0,0,1|1,0,1]=4 3970 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100011223364 [0,1,0,0,0,1|1,0,1]=4 3971 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100011223364 [0,1,0,0,0,1|1,0,1]=4 3972 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)I 527a_100016989417_100011223364 [0,1,0,0,0,1|1,0,1]=4 3973 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100011223364 [0,1,0,0,0,1|1,0,1]=4 3974 B17R1.1079 CC(C)COCC(=O)NCc1ccc(cc1)O 527a_100000185549_100011223364 [0,1,0,0,0,1|1,0,1]=4 3975 B17R1.1079 CC(C)COCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100011223364 [0,1,0,0,0,1|2,0,0]=4 3976 B17R1.1079 CC(C)COCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100011223364 [0,1,0,0,0,1|2,0,0]=4 3977 B17R1.1079 CC(C)COCC(=O)NNc1ccc(cc1)F 22a_100000728448_100011223364 [0,1,0,0,0,1|2,0,0]=4 3978 B17R1.1079 CC(C)COCC(=O)NNc1ccc(cc1)I 22a_100016988836_100011223364 [0,1,0,0,0,1|2,0,0]=4 3979 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000211751 [0,1,0,0,0,1|1,0,0]=3 3980 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011219172 [0,1,0,0,0,1|1,0,0]=3 3981 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000211751 [0,1,0,0,0,1|1,0,0]=3 3982 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000211751 [0,1,0,0,0,1|1,0,0]=3 3983 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011219172 [0,1,0,0,0,1|1,0,0]=3 3984 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000211751 [0,1,0,0,0,1|1,0,0]=3 3985 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011219172 [0,1,0,0,0,1|1,0,0]=3 3986 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_200011219172 [0,1,0,0,0,1|2,0,0]=4 3987 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000211751 [0,1,0,0,0,1|2,0,0]=4 3988 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_200011219172 [0,1,0,0,0,1|2,0,0]=4 3989 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000211751 [0,1,0,0,0,1|2,0,0]=4 3990 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000730970 [0,1,0,0,0,1|1,0,0]=3 3991 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000730970 [0,1,0,0,0,1|1,0,0]=3 3992 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000730970 [0,1,0,0,0,1|1,0,0]=3 3993 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000730970 [0,1,0,0,0,1|1,0,0]=3 3994 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000730970 [0,1,0,0,0,1|2,0,0]=4 3995 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000730970 [0,1,0,0,0,1|2,0,0]=4 3996 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000718107 [0,1,0,0,0,1|2,0,0]=4 3997 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000718107 [0,1,0,0,0,1|2,0,0]=4 3998 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000718107 [0,1,0,0,0,1|2,0,0]=4 3999 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000718107 [0,1,0,0,0,1|2,0,0]=4 4000 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_200000755665_100000184863 [0,1,0,0,0,1|2,0,0]=4 4001 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)F 240690a_200000755665_100000182136 [0,1,0,0,0,1|2,0,0]=4 4002 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)I 240690a_200000755665_100102526154 [0,1,0,0,0,1|2,0,0]=4 4003 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)O 240690a_200000755665_100016269017 [0,1,0,0,0,1|2,0,0]=4 4004 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)Br 22a_200000730056_100016267368 [0,1,0,0,0,1|2,0,0]=4 4005 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)Cl 22a_200000730056_100000184863 [0,1,0,0,0,1|2,0,0]=4 4006 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)F 22a_200000730056_100000182136 [0,1,0,0,0,1|2,0,0]=4 4007 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)I 22a_200000730056_100102526154 [0,1,0,0,0,1|2,0,0]=4 4008 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)O 22a_200000730056_100016269017 [0,1,0,0,0,1|2,0,0]=4 4009 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000695564 [0,1,0,0,0,1|2,0,0]=4 4010 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000695564 [0,1,0,0,0,1|2,0,0]=4 4011 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000695564 [0,1,0,0,0,1|2,0,0]=4 4012 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000695564 [0,1,0,0,0,1|2,0,0]=4 4013 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210585_100000184863 [0,1,0,0,0,1|2,0,0]=4 4014 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000210585_100000182136 [0,1,0,0,0,1|2,0,0]=4 4015 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000210585_100102526154 [0,1,0,0,0,1|2,0,0]=4 4016 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000210585_100016269017 [0,1,0,0,0,1|2,0,0]=4 4017 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCC(C)C 1458a_100000716854_100011214892 [0,1,0,0,0,1|1,0,0]=3 4018 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCC(C)O 1458a_100000716854_200000718107 [0,1,0,0,0,1|2,0,0]=4 4019 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCN(C)C 1458a_100000716854_100000695564 [0,1,0,0,0,1|2,0,0]=4 4020 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCOC(C)C 1458a_100000716854_100000211751 [0,1,0,0,0,1|1,0,0]=3 4021 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCSC(C)C 1458a_100000716854_100000730970 [0,1,0,0,0,1|1,0,0]=3 4022 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 11a_100000210545_100000716854 [0,1,0,0,0,1|1,0,0]=3 4023 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000716854 [0,1,0,0,0,1|1,0,0]=3 4024 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000716854 [0,1,0,0,0,1|1,0,0]=3 4025 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)O 240690a_200000755665_100000716854 [0,1,0,0,0,1|2,0,0]=4 4026 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C 240690a_100000210585_100000716854 [0,1,0,0,0,1|2,0,0]=4 4027 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NNCC(C)C 22a_100000696102_100000716854 [0,1,0,0,0,1|1,0,0]=3 4028 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NNCC(C)O 22a_200000730056_100000716854 [0,1,0,0,0,1|2,0,0]=4 4029 B17R1.1079 Cc1ccc(cc1)CCC(=O)COCC(C)C 1458a_100011223364_100011713686 [0,1,0,0,0,1|0,0,2]=4 4030 B17R1.1079 Cc1ccc(cc1)CNC(=O)COCC(C)C 11a_100000174908_100011223364 [0,1,0,0,0,1|1,0,1]=4 4031 B17R1.1079 Cc1ccc(cc1)CNC(=O)COCC(C)C 1626a_100000174908_100011223364 [0,1,0,0,0,1|1,0,1]=4 4032 B17R1.1079 Cc1ccc(cc1)CNC(=O)COCC(C)C 240690a_100000174908_100011223364 [0,1,0,0,0,1|1,0,1]=4 4033 B17R1.1079 Cc1ccc(cc1)CNC(=O)COCC(C)C 34a_100000210257_100000183211 [0,1,0,0,0,1|1,0,1]=4 4034 B17R1.1079 Cc1ccc(cc1)CNC(=O)COCC(C)C 527a_100000174908_100011223364 [0,1,0,0,0,1|1,0,1]=4 4035 B17R1.1079 Cc1ccc(cc1)NNC(=O)COCC(C)C 22a_100000683527_100011223364 [0,1,0,0,0,1|2,0,0]=4 4036 B17R1.1218 CC(C#N)CNNC(=O)C=Cc1ccccc1 22a_100000045663_100000210462 [0,1,0,0,0,1|1,0,1]=4 4037 B17R1.1218 CC(CN)COCC(=O)CCc1ccccc1 34a_100000744482_100012361361 [0,1,0,0,0,1|0,0,2]=4 4038 B17R1.1218 CC(CN)COCC(=O)NCc1ccccc1 34a_100000744482_100000183539 [0,1,0,0,0,1|1,0,1]=4 4039 B17R1.1218 CC(CN)COCC(=O)OCc1ccccc1 34a_100000744482_100000753625 [0,1,0,0,0,1|1,0,1]=4 4040 B17R1.1218 CC(CO)CCNC(=O)C=Cc1ccccn1 240690a_106354213184_100000740811 [0,1,0,0,0,1|2,0,0]=4 4041 B17R1.1218 CC(CO)CCNC(=O)C=Cc1cccnc1 240690a_106354213184_100000735890 [0,1,0,0,0,1|2,0,0]=4 4042 B17R1.1218 CC(CO)CCNC(=O)C=Cc1ccncc1 240690a_106354213184_100000682801 [0,1,0,0,0,1|2,0,0]=4 4043 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccc1 11a_100020591266_100000210462 [0,1,0,0,0,1|1,0,0]=3 4044 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccc1 1626a_100020591266_100000210462 [0,1,0,0,0,1|1,0,0]=3 4045 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccn1 11a_100020591266_100000740811 [0,1,0,0,0,1|2,0,0]=4 4046 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccn1 240690a_100020591266_100000740811 [0,1,0,0,0,1|2,0,0]=4 4047 B17R1.1218 CCC(C)CCNC(=O)C=Cc1cccnc1 11a_100020591266_100000735890 [0,1,0,0,0,1|2,0,0]=4 4048 B17R1.1218 CCC(C)CCNC(=O)C=Cc1cccnc1 240690a_100020591266_100000735890 [0,1,0,0,0,1|2,0,0]=4 4049 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccncc1 240690a_100020591266_100000682801 [0,1,0,0,0,1|2,0,0]=4 4050 B17R1.1218 CCC(O)CNNC(=O)C=Cc1ccccc1 22a_100015206393_100000210462 [0,1,0,0,0,1|2,0,0]=4 4051 B17R1.1218 CCN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100015186262 [0,1,0,0,0,1|2,0,0]=4 4052 B17R1.1218 CC[C@H](C)COCC(=O)CCc1ccccc1 7a_100009816381_100012361361 [0,1,0,0,0,1|0,0,2]=4 4053 B17R1.1218 CC[C@H](C)COCC(=O)NCc1ccccc1 7a_100009816381_100000183539 [0,1,0,0,0,1|1,0,1]=4 4054 B17R1.1218 CC[C@H](C)COCC(=O)OCc1ccccc1 7a_100009816381_100000753625 [0,1,0,0,0,1|1,0,1]=4 4055 B17R1.1218 COC(C)COCC(=O)CCc1ccccc1 34a_100000690652_100012361361 [0,1,0,0,0,1|0,0,2]=4 4056 B17R1.1218 COC(C)COCC(=O)NCc1ccccc1 34a_100000690652_100000183539 [0,1,0,0,0,1|1,0,1]=4 4057 B17R1.1218 COC(C)COCC(=O)OCc1ccccc1 34a_100000690652_100000753625 [0,1,0,0,0,1|1,0,1]=4 4058 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100011261404 [0,1,0,0,0,1|1,0,0]=3 4059 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100011261404 [0,1,0,0,0,1|2,0,0]=4 4060 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100011261404 [0,1,0,0,0,1|2,0,0]=4 4061 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100011261404 [0,1,0,0,0,1|2,0,0]=4 4062 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccc1 11a_100000742789_100000210462 [0,1,0,0,0,1|1,0,0]=3 4063 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccc1 1626a_100000742789_100000210462 [0,1,0,0,0,1|1,0,0]=3 4064 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccn1 11a_100000742789_100000740811 [0,1,0,0,0,1|2,0,0]=4 4065 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccn1 240690a_100000742789_100000740811 [0,1,0,0,0,1|2,0,0]=4 4066 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1cccnc1 11a_100000742789_100000735890 [0,1,0,0,0,1|2,0,0]=4 4067 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1cccnc1 240690a_100000742789_100000735890 [0,1,0,0,0,1|2,0,0]=4 4068 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccncc1 240690a_100000742789_100000682801 [0,1,0,0,0,1|2,0,0]=4 4069 B17R1.5010 CC(C)COC(C)C(=O)NCc1ccccc1 34a_100000210257_200011934207 [0,1,0,0,0,1|1,0,1]=4 4070 B17R1.5010 CC(C)COC(F)C(=O)OCc1ccccc1 34a_100000210257_100000036447 [0,1,0,0,0,1|1,0,1]=4 4071 B17R1.5010 CC(C)CO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000210760 [0,1,0,0,0,1|1,0,1]=4 4072 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1Br)C 1458a_100000719032_100011217483 [0,1,0,0,0,1|1,0,1]=4 4073 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1Cl)C 1458a_100000720304_100011217483 [0,1,0,0,0,1|1,0,1]=4 4074 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1F)C 1458a_100016256065_100011217483 [0,1,0,0,0,1|1,0,1]=4 4075 B17R1.9015 CC(=CCCC(=O)C=Cc1ccccc1O)C 1458a_100016263591_100011217483 [0,1,0,0,0,1|1,0,1]=4 4076 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Br)C 11a_100000718196_100000719032 [0,1,0,0,0,1|1,0,1]=4 4077 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Br)C 1626a_100000718196_100000719032 [0,1,0,0,0,1|1,0,1]=4 4078 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1C)C 1626a_100000718196_100016266485 [0,1,0,0,0,1|1,0,1]=4 4079 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Cl)C 11a_100000718196_100000720304 [0,1,0,0,0,1|1,0,1]=4 4080 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1Cl)C 1626a_100000718196_100000720304 [0,1,0,0,0,1|1,0,1]=4 4081 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1F)C 11a_100000718196_100016256065 [0,1,0,0,0,1|1,0,1]=4 4082 B17R1.9015 CC(=CCNC(=O)C=Cc1ccccc1F)C 1626a_100000718196_100016256065 [0,1,0,0,0,1|1,0,1]=4 4083 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214892 [0,1,0,0,0,1|1,0,0]=3 4084 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214892 [0,1,0,0,0,1|1,0,0]=3 4085 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214892 [0,1,0,0,0,1|1,0,0]=3 4086 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214892 [0,1,0,0,0,1|1,0,0]=3 4087 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 11a_100000210545_100000719032 [0,1,0,0,0,1|1,0,0]=3 4088 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 1626a_100000210545_100000719032 [0,1,0,0,0,1|1,0,0]=3 4089 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000210545_100000719032 [0,1,0,0,0,1|1,0,0]=3 4090 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 11a_100000210545_100000720304 [0,1,0,0,0,1|1,0,0]=3 4091 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 1626a_100000210545_100000720304 [0,1,0,0,0,1|1,0,0]=3 4092 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000210545_100000720304 [0,1,0,0,0,1|1,0,0]=3 4093 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 11a_100000210545_100016256065 [0,1,0,0,0,1|1,0,0]=3 4094 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 1626a_100000210545_100016256065 [0,1,0,0,0,1|1,0,0]=3 4095 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000210545_100016256065 [0,1,0,0,0,1|1,0,0]=3 4096 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1Br 22a_100000696102_100000719032 [0,1,0,0,0,1|1,0,0]=3 4097 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1Cl 22a_100000696102_100000720304 [0,1,0,0,0,1|1,0,0]=3 4098 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1F 22a_100000696102_100016256065 [0,1,0,0,0,1|1,0,0]=3 4099 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1O 22a_100000696102_100016263591 [0,1,0,0,0,1|1,0,0]=3 4100 B17R1.9015 CC(C)COCC(=O)CCc1ccccc1Br 1458a_100011223364_100012161201 [0,1,0,0,0,1|0,0,2]=4 4101 B17R1.9015 CC(C)COCC(=O)CCc1ccccc1Cl 1458a_100011223364_100011713703 [0,1,0,0,0,1|0,0,2]=4 4102 B17R1.9015 CC(C)COCC(=O)CCc1ccccc1F 1458a_100011223364_100000720011 [0,1,0,0,0,1|0,0,2]=4 4103 B17R1.9015 CC(C)COCC(=O)CCc1ccccc1O 1458a_100011223364_100000722297 [0,1,0,0,0,1|0,0,2]=4 4104 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Br 11a_100000689332_100011223364 [0,1,0,0,0,1|1,0,1]=4 4105 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Br 1626a_100000689332_100011223364 [0,1,0,0,0,1|1,0,1]=4 4106 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Br 240690a_100000689332_100011223364 [0,1,0,0,0,1|1,0,1]=4 4107 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Br 527a_100000689332_100011223364 [0,1,0,0,0,1|1,0,1]=4 4108 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Cl 11a_100000174879_100011223364 [0,1,0,0,0,1|1,0,1]=4 4109 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Cl 1626a_100000174879_100011223364 [0,1,0,0,0,1|1,0,1]=4 4110 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Cl 240690a_100000174879_100011223364 [0,1,0,0,0,1|1,0,1]=4 4111 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1Cl 527a_100000174879_100011223364 [0,1,0,0,0,1|1,0,1]=4 4112 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1F 11a_100000174869_100011223364 [0,1,0,0,0,1|1,0,1]=4 4113 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1F 1626a_100000174869_100011223364 [0,1,0,0,0,1|1,0,1]=4 4114 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1F 240690a_100000174869_100011223364 [0,1,0,0,0,1|1,0,1]=4 4115 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1F 34a_100000210257_100000190583 [0,1,0,0,0,1|1,0,1]=4 4116 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1F 527a_100000174869_100011223364 [0,1,0,0,0,1|1,0,1]=4 4117 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1I 11a_100015347259_100011223364 [0,1,0,0,0,1|1,0,1]=4 4118 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1I 1626a_100015347259_100011223364 [0,1,0,0,0,1|1,0,1]=4 4119 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1I 240690a_100015347259_100011223364 [0,1,0,0,0,1|1,0,1]=4 4120 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1I 527a_100015347259_100011223364 [0,1,0,0,0,1|1,0,1]=4 4121 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1O 240690a_100000185550_100011223364 [0,1,0,0,0,1|1,0,1]=4 4122 B17R1.9015 CC(C)COCC(=O)NCc1ccccc1O 527a_100000185550_100011223364 [0,1,0,0,0,1|1,0,1]=4 4123 B17R1.9015 CC(C)COCC(=O)NNc1ccccc1Br 22a_100000241748_100011223364 [0,1,0,0,0,1|2,0,0]=4 4124 B17R1.9015 CC(C)COCC(=O)NNc1ccccc1Cl 22a_100000683529_100011223364 [0,1,0,0,0,1|2,0,0]=4 4125 B17R1.9015 CC(C)COCC(=O)NNc1ccccc1F 22a_100000239246_100011223364 [0,1,0,0,0,1|2,0,0]=4 4126 B17R1.9015 CC(C)COCC(=O)NNc1ccccc1I 22a_100011218156_100011223364 [0,1,0,0,0,1|2,0,0]=4 4127 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000211751 [0,1,0,0,0,1|1,0,0]=3 4128 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000211751 [0,1,0,0,0,1|1,0,0]=3 4129 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000211751 [0,1,0,0,0,1|1,0,0]=3 4130 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000211751 [0,1,0,0,0,1|1,0,0]=3 4131 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000730970 [0,1,0,0,0,1|1,0,0]=3 4132 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000730970 [0,1,0,0,0,1|1,0,0]=3 4133 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000730970 [0,1,0,0,0,1|1,0,0]=3 4134 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000730970 [0,1,0,0,0,1|1,0,0]=3 4135 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000718107 [0,1,0,0,0,1|2,0,0]=4 4136 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000718107 [0,1,0,0,0,1|2,0,0]=4 4137 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_200000718107 [0,1,0,0,0,1|2,0,0]=4 4138 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_200000718107 [0,1,0,0,0,1|2,0,0]=4 4139 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1Br 240690a_200000755665_100000719032 [0,1,0,0,0,1|2,0,0]=4 4140 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1Cl 240690a_200000755665_100000720304 [0,1,0,0,0,1|2,0,0]=4 4141 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1F 240690a_200000755665_100016256065 [0,1,0,0,0,1|2,0,0]=4 4142 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1Br 22a_200000730056_100000719032 [0,1,0,0,0,1|2,0,0]=4 4143 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1Cl 22a_200000730056_100000720304 [0,1,0,0,0,1|2,0,0]=4 4144 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1F 22a_200000730056_100016256065 [0,1,0,0,0,1|2,0,0]=4 4145 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1O 22a_200000730056_100016263591 [0,1,0,0,0,1|2,0,0]=4 4146 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000695564 [0,1,0,0,0,1|2,0,0]=4 4147 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000695564 [0,1,0,0,0,1|2,0,0]=4 4148 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000695564 [0,1,0,0,0,1|2,0,0]=4 4149 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000695564 [0,1,0,0,0,1|2,0,0]=4 4150 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000210585_100000719032 [0,1,0,0,0,1|2,0,0]=4 4151 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000210585_100000720304 [0,1,0,0,0,1|2,0,0]=4 4152 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000210585_100016256065 [0,1,0,0,0,1|2,0,0]=4 4153 B17R1.9015 Cc1ccccc1C=CC(=O)NCCC(C)C 1626a_100000210545_100016266485 [0,1,0,0,0,1|1,0,0]=3 4154 B17R1.9015 Cc1ccccc1C=CC(=O)NNCC(C)C 22a_100000696102_100016266485 [0,1,0,0,0,1|1,0,0]=3 4155 B17R1.9015 Cc1ccccc1C=CC(=O)NNCC(C)O 22a_200000730056_100016266485 [0,1,0,0,0,1|2,0,0]=4 4156 B17R1.9015 Cc1ccccc1CCC(=O)COCC(C)C 1458a_100011223364_100011713688 [0,1,0,0,0,1|0,0,2]=4 4157 B17R1.9015 Cc1ccccc1CNC(=O)COCC(C)C 11a_100000174972_100011223364 [0,1,0,0,0,1|1,0,1]=4 4158 B17R1.9015 Cc1ccccc1CNC(=O)COCC(C)C 1626a_100000174972_100011223364 [0,1,0,0,0,1|1,0,1]=4 4159 B17R1.9015 Cc1ccccc1CNC(=O)COCC(C)C 240690a_100000174972_100011223364 [0,1,0,0,0,1|1,0,1]=4 4160 B17R1.9015 Cc1ccccc1CNC(=O)COCC(C)C 34a_100000210257_100000230231 [0,1,0,0,0,1|1,0,1]=4 4161 B17R1.9015 Cc1ccccc1CNC(=O)COCC(C)C 527a_100000174972_100011223364 [0,1,0,0,0,1|1,0,1]=4 4162 B17R1.9015 Cc1ccccc1NNC(=O)COCC(C)C 22a_100000184220_100011223364 [0,1,0,0,0,1|2,0,0]=4 4163 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCC(C)C 1458a_100016990649_100011214892 [0,1,0,0,0,1|1,0,0]=3 4164 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCC(C)O 1458a_100016990649_200000718107 [0,1,0,0,0,1|2,0,0]=4 4165 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCN(C)C 1458a_100016990649_100000695564 [0,1,0,0,0,1|2,0,0]=4 4166 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCOC(C)C 1458a_100016990649_100000211751 [0,1,0,0,0,1|1,0,0]=3 4167 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCSC(C)C 1458a_100016990649_100000730970 [0,1,0,0,0,1|1,0,0]=3 4168 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 11a_100000210545_100016990649 [0,1,0,0,0,1|1,0,0]=3 4169 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 1626a_100000210545_100016990649 [0,1,0,0,0,1|1,0,0]=3 4170 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 527a_100000210545_100016990649 [0,1,0,0,0,1|1,0,0]=3 4171 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)O 527a_200000755665_100016990649 [0,1,0,0,0,1|2,0,0]=4 4172 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCN(C)C 527a_100000210585_100016990649 [0,1,0,0,0,1|2,0,0]=4 4173 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NNCC(C)C 22a_100000696102_100016990649 [0,1,0,0,0,1|1,0,0]=3 4174 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NNCC(C)O 22a_200000730056_100016990649 [0,1,0,0,0,1|2,0,0]=4 4175 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCCC(C)C 1458a_100025712827_100011214892 [0,1,0,0,0,1|2,0,0]=4 4176 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCOC(C)C 1458a_100025712827_100000211751 [0,1,0,0,0,1|2,0,0]=4 4177 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCSC(C)C 1458a_100025712827_100000730970 [0,1,0,0,0,1|2,0,0]=4 4178 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 11a_100000210545_100025712827 [0,1,0,0,0,1|2,0,0]=4 4179 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 1626a_100000210545_100025712827 [0,1,0,0,0,1|2,0,0]=4 4180 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 527a_100000210545_100025712827 [0,1,0,0,0,1|2,0,0]=4 4181 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NNCC(C)C 22a_100000696102_100025712827 [0,1,0,0,0,1|2,0,0]=4 4182 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C 11a_100000210545_100000066491 [0,1,0,0,0,1|1,0,1]=4 4183 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C 1626a_100000210545_100000066491 [0,1,0,0,0,1|1,0,1]=4 4184 B17R1.9289 C=C(Cc1ccccc1)C(=O)NNCC(C)C 22a_100000696102_100000066491 [0,1,0,0,0,1|1,0,1]=4 4185 B17R1.9289 CC(=CCCC(=O)/C(=C/c1ccccc1)/C)C 1458a_100016990649_100011217483 [0,1,0,0,0,1|1,0,1]=4 4186 B17R1.9289 CC(=CCCC(=O)/C(=C/c1ccccc1)/Cl)C 1458a_200020598536_100011217483 [0,1,0,0,0,1|1,0,1]=4 4187 B17R1.9289 CC(=CCCC(=O)/C(=C\c1ccccc1)/F)C 1458a_100020889036_100011217483 [0,1,0,0,0,1|1,0,1]=4 4188 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/C)C 11a_100000718196_100016990649 [0,1,0,0,0,1|1,0,1]=4 4189 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/C)C 1626a_100000718196_100016990649 [0,1,0,0,0,1|1,0,1]=4 4190 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/C)C 527a_100000718196_100016990649 [0,1,0,0,0,1|1,0,1]=4 4191 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/Cl)C 11a_100000718196_200020598536 [0,1,0,0,0,1|1,0,1]=4 4192 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/Cl)C 1626a_100000718196_200020598536 [0,1,0,0,0,1|1,0,1]=4 4193 B17R1.9289 CC(=CCNC(=O)/C(=C/c1ccccc1)/Cl)C 527a_100000718196_200020598536 [0,1,0,0,0,1|1,0,1]=4 4194 B17R1.9289 CC(=CCNC(=O)/C(=C\c1ccccc1)/F)C 11a_100000718196_100020889036 [0,1,0,0,0,1|1,0,1]=4 4195 B17R1.9289 CC(=CCNC(=O)/C(=C\c1ccccc1)/F)C 527a_100000718196_100020889036 [0,1,0,0,0,1|1,0,1]=4 4196 B17R1.9289 CC(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011214892 [0,1,0,0,0,1|1,0,0]=3 4197 B17R1.9289 CC(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011214892 [0,1,0,0,0,1|1,0,0]=3 4198 B17R1.9289 CC(C)CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011214892 [0,1,0,0,0,1|2,0,0]=4 4199 B17R1.9289 CC(C)CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011214892 [0,1,0,0,0,1|2,0,0]=4 4200 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210545_200020598536 [0,1,0,0,0,1|1,0,0]=3 4201 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000210545_200020598536 [0,1,0,0,0,1|1,0,0]=3 4202 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210545_200020598536 [0,1,0,0,0,1|1,0,0]=3 4203 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210545_200020598536 [0,1,0,0,0,1|1,0,0]=3 4204 B17R1.9289 CC(C)CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000210545_100020889036 [0,1,0,0,0,1|1,0,0]=3 4205 B17R1.9289 CC(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000210545_100020889036 [0,1,0,0,0,1|1,0,0]=3 4206 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 11a_100000210545_100000731744 [0,1,0,0,0,1|2,0,0]=4 4207 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 240690a_100000210545_100000731744 [0,1,0,0,0,1|2,0,0]=4 4208 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 527a_100000210545_100000731744 [0,1,0,0,0,1|2,0,0]=4 4209 B17R1.9289 CC(C)CCNC(=O)C(=O)Nc1ccccc1 240690a_100000210545_100000738435 [0,1,0,0,0,1|2,0,0]=4 4210 B17R1.9289 CC(C)CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000696102_200020598536 [0,1,0,0,0,1|1,0,0]=3 4211 B17R1.9289 CC(C)CNNC(=O)/C(=C\c1ccccc1)/F 22a_100000696102_100020889036 [0,1,0,0,0,1|1,0,0]=3 4212 B17R1.9289 CC(C)CNNC(=O)C(=Cc1cccnc1)F 22a_100000696102_100000731744 [0,1,0,0,0,1|2,0,0]=4 4213 B17R1.9289 CC(C)CNNC(=O)C(=O)Nc1ccccc1 22a_100000696102_100000738435 [0,1,0,0,0,1|2,0,0]=4 4214 B17R1.9289 CC(C)COCC(=O)C(C)Cc1ccccc1 1458a_100011223364_200011218536 [0,1,0,0,0,1|0,0,2]=4 4215 B17R1.9289 CC(C)COCC(=O)N(C)Cc1ccccc1 11a_100000186898_100011223364 [0,1,0,0,0,1|1,0,1]=4 4216 B17R1.9289 CC(C)COCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100011223364 [0,1,0,0,0,1|1,0,1]=4 4217 B17R1.9289 CC(C)COCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100011223364 [0,1,0,0,0,1|1,0,1]=4 4218 B17R1.9289 CC(C)COCC(=O)N(C)Cc1ccccc1 34a_100000210257_100000182870 [0,1,0,0,0,1|1,0,1]=4 4219 B17R1.9289 CC(C)COCC(=O)N(C)Cc1ccccc1 527a_100000186898_100011223364 [0,1,0,0,0,1|1,0,1]=4 4220 B17R1.9289 CC(C)OCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211751 [0,1,0,0,0,1|1,0,0]=3 4221 B17R1.9289 CC(C)OCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211751 [0,1,0,0,0,1|1,0,0]=3 4222 B17R1.9289 CC(C)OCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000211751 [0,1,0,0,0,1|2,0,0]=4 4223 B17R1.9289 CC(C)OCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000211751 [0,1,0,0,0,1|2,0,0]=4 4224 B17R1.9289 CC(C)SCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000730970 [0,1,0,0,0,1|1,0,0]=3 4225 B17R1.9289 CC(C)SCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000730970 [0,1,0,0,0,1|1,0,0]=3 4226 B17R1.9289 CC(C)SCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000730970 [0,1,0,0,0,1|2,0,0]=4 4227 B17R1.9289 CC(C)SCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000730970 [0,1,0,0,0,1|2,0,0]=4 4228 B17R1.9289 CC(O)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000718107 [0,1,0,0,0,1|2,0,0]=4 4229 B17R1.9289 CC(O)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000718107 [0,1,0,0,0,1|2,0,0]=4 4230 B17R1.9289 CC(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_200000755665_200020598536 [0,1,0,0,0,1|2,0,0]=4 4231 B17R1.9289 CC(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_200000755665_200020598536 [0,1,0,0,0,1|2,0,0]=4 4232 B17R1.9289 CC(O)CCNC(=O)/C(=C\c1ccccc1)/F 527a_200000755665_100020889036 [0,1,0,0,0,1|2,0,0]=4 4233 B17R1.9289 CC(O)CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_200000730056_200020598536 [0,1,0,0,0,1|2,0,0]=4 4234 B17R1.9289 CC(O)CNNC(=O)/C(=C\c1ccccc1)/F 22a_200000730056_100020889036 [0,1,0,0,0,1|2,0,0]=4 4235 B17R1.9289 CN(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000695564 [0,1,0,0,0,1|2,0,0]=4 4236 B17R1.9289 CN(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000695564 [0,1,0,0,0,1|2,0,0]=4 4237 B17R1.9289 CN(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210585_200020598536 [0,1,0,0,0,1|2,0,0]=4 4238 B17R1.9289 CN(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210585_200020598536 [0,1,0,0,0,1|2,0,0]=4 4239 B17R1.9289 CN(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000210585_100020889036 [0,1,0,0,0,1|2,0,0]=4 4240 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)Br)C 1458a_100016258244_100011217483 [0,1,0,0,0,1|1,0,1]=4 4241 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)C)C 1458a_100000690095_100011217483 [0,1,0,0,0,1|1,0,1]=4 4242 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)Cl)C 1458a_100000184502_100011217483 [0,1,0,0,0,1|1,0,1]=4 4243 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)F)C 1458a_100000718793_100011217483 [0,1,0,0,0,1|1,0,1]=4 4244 B17R1.14359 CC(=CCCC(=O)C=Cc1cccc(c1)I)C 1458a_100020647043_100011217483 [0,1,0,0,0,1|1,0,1]=4 4245 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Br)C 11a_100000718196_100016258244 [0,1,0,0,0,1|1,0,1]=4 4246 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Br)C 1626a_100000718196_100016258244 [0,1,0,0,0,1|1,0,1]=4 4247 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)C)C 11a_100000718196_100000690095 [0,1,0,0,0,1|1,0,1]=4 4248 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)C)C 1626a_100000718196_100000690095 [0,1,0,0,0,1|1,0,1]=4 4249 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Cl)C 11a_100000718196_100000184502 [0,1,0,0,0,1|1,0,1]=4 4250 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)Cl)C 1626a_100000718196_100000184502 [0,1,0,0,0,1|1,0,1]=4 4251 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)F)C 11a_100000718196_100000718793 [0,1,0,0,0,1|1,0,1]=4 4252 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)F)C 1626a_100000718196_100000718793 [0,1,0,0,0,1|1,0,1]=4 4253 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)I)C 11a_100000718196_100020647043 [0,1,0,0,0,1|1,0,1]=4 4254 B17R1.14359 CC(=CCNC(=O)C=Cc1cccc(c1)I)C 1626a_100000718196_100020647043 [0,1,0,0,0,1|1,0,1]=4 4255 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011214892 [0,1,0,0,0,1|1,0,0]=3 4256 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000753411 [0,1,0,0,0,1|1,0,0]=3 4257 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011214892 [0,1,0,0,0,1|1,0,0]=3 4258 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011214892 [0,1,0,0,0,1|1,0,0]=3 4259 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000753411 [0,1,0,0,0,1|1,0,0]=3 4260 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011214892 [0,1,0,0,0,1|1,0,0]=3 4261 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000753411 [0,1,0,0,0,1|1,0,0]=3 4262 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000753411 [0,1,0,0,0,1|2,0,0]=4 4263 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000753411 [0,1,0,0,0,1|2,0,0]=4 4264 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000753411 [0,1,0,0,0,1|2,0,0]=4 4265 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 11a_100000210545_100016258244 [0,1,0,0,0,1|1,0,0]=3 4266 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000210545_100016258244 [0,1,0,0,0,1|1,0,0]=3 4267 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000210545_100016258244 [0,1,0,0,0,1|1,0,0]=3 4268 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000210545_100000184502 [0,1,0,0,0,1|1,0,0]=3 4269 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000210545_100000184502 [0,1,0,0,0,1|1,0,0]=3 4270 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210545_100000184502 [0,1,0,0,0,1|1,0,0]=3 4271 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 11a_100000210545_100000718793 [0,1,0,0,0,1|1,0,0]=3 4272 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 1626a_100000210545_100000718793 [0,1,0,0,0,1|1,0,0]=3 4273 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000210545_100000718793 [0,1,0,0,0,1|1,0,0]=3 4274 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 11a_100000210545_100020647043 [0,1,0,0,0,1|1,0,0]=3 4275 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 1626a_100000210545_100020647043 [0,1,0,0,0,1|1,0,0]=3 4276 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000210545_100020647043 [0,1,0,0,0,1|1,0,0]=3 4277 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)Br 22a_100000696102_100016258244 [0,1,0,0,0,1|1,0,0]=3 4278 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)Cl 22a_100000696102_100000184502 [0,1,0,0,0,1|1,0,0]=3 4279 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)F 22a_100000696102_100000718793 [0,1,0,0,0,1|1,0,0]=3 4280 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)I 22a_100000696102_100020647043 [0,1,0,0,0,1|1,0,0]=3 4281 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)O 22a_100000696102_100102525460 [0,1,0,0,0,1|1,0,0]=3 4282 B17R1.14359 CC(C)COCC(=O)CCc1cccc(c1)Br 1458a_100011223364_100011740638 [0,1,0,0,0,1|0,0,2]=4 4283 B17R1.14359 CC(C)COCC(=O)CCc1cccc(c1)Cl 1458a_100011223364_100011713710 [0,1,0,0,0,1|0,0,2]=4 4284 B17R1.14359 CC(C)COCC(=O)CCc1cccc(c1)F 1458a_100011223364_100011217235 [0,1,0,0,0,1|0,0,2]=4 4285 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Br 11a_100000174977_100011223364 [0,1,0,0,0,1|1,0,1]=4 4286 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100011223364 [0,1,0,0,0,1|1,0,1]=4 4287 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100011223364 [0,1,0,0,0,1|1,0,1]=4 4288 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Br 34a_100000210257_100011263252 [0,1,0,0,0,1|1,0,1]=4 4289 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Br 527a_100000174977_100011223364 [0,1,0,0,0,1|1,0,1]=4 4290 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100011223364 [0,1,0,0,0,1|1,0,1]=4 4291 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100011223364 [0,1,0,0,0,1|1,0,1]=4 4292 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100011223364 [0,1,0,0,0,1|1,0,1]=4 4293 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Cl 34a_100000210257_100000181154 [0,1,0,0,0,1|1,0,1]=4 4294 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100011223364 [0,1,0,0,0,1|1,0,1]=4 4295 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)F 11a_100000174948_100011223364 [0,1,0,0,0,1|1,0,1]=4 4296 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)F 1626a_100000174948_100011223364 [0,1,0,0,0,1|1,0,1]=4 4297 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)F 240690a_100000174948_100011223364 [0,1,0,0,0,1|1,0,1]=4 4298 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)F 34a_100000210257_100000738998 [0,1,0,0,0,1|1,0,1]=4 4299 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)F 527a_100000174948_100011223364 [0,1,0,0,0,1|1,0,1]=4 4300 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)I 11a_100000106179_100011223364 [0,1,0,0,0,1|1,0,1]=4 4301 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)I 1626a_100000106179_100011223364 [0,1,0,0,0,1|1,0,1]=4 4302 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)I 240690a_100000106179_100011223364 [0,1,0,0,0,1|1,0,1]=4 4303 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)I 527a_100000106179_100011223364 [0,1,0,0,0,1|1,0,1]=4 4304 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)O 240690a_100000743036_100011223364 [0,1,0,0,0,1|1,0,1]=4 4305 B17R1.14359 CC(C)COCC(=O)NCc1cccc(c1)O 527a_100000743036_100011223364 [0,1,0,0,0,1|1,0,1]=4 4306 B17R1.14359 CC(C)COCC(=O)NNc1cccc(c1)Br 22a_100000217339_100011223364 [0,1,0,0,0,1|2,0,0]=4 4307 B17R1.14359 CC(C)COCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100011223364 [0,1,0,0,0,1|2,0,0]=4 4308 B17R1.14359 CC(C)COCC(=O)NNc1cccc(c1)F 22a_100000745080_100011223364 [0,1,0,0,0,1|2,0,0]=4 4309 B17R1.14359 CC(C)COCC(=O)NNc1cccc(c1)I 22a_100020605690_100011223364 [0,1,0,0,0,1|2,0,0]=4 4310 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000211751 [0,1,0,0,0,1|1,0,0]=3 4311 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011219172 [0,1,0,0,0,1|1,0,0]=3 4312 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000211751 [0,1,0,0,0,1|1,0,0]=3 4313 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000211751 [0,1,0,0,0,1|1,0,0]=3 4314 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011219172 [0,1,0,0,0,1|1,0,0]=3 4315 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000211751 [0,1,0,0,0,1|1,0,0]=3 4316 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011219172 [0,1,0,0,0,1|1,0,0]=3 4317 B17R1.14359 CC(C)OCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_200011219172 [0,1,0,0,0,1|2,0,0]=4 4318 B17R1.14359 CC(C)OCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_200011219172 [0,1,0,0,0,1|2,0,0]=4 4319 B17R1.14359 CC(C)OCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_200011219172 [0,1,0,0,0,1|2,0,0]=4 4320 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000730970 [0,1,0,0,0,1|1,0,0]=3 4321 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000730970 [0,1,0,0,0,1|1,0,0]=3 4322 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000730970 [0,1,0,0,0,1|1,0,0]=3 4323 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000730970 [0,1,0,0,0,1|1,0,0]=3 4324 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000718107 [0,1,0,0,0,1|2,0,0]=4 4325 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000718107 [0,1,0,0,0,1|2,0,0]=4 4326 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000718107 [0,1,0,0,0,1|2,0,0]=4 4327 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000718107 [0,1,0,0,0,1|2,0,0]=4 4328 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)Br 240690a_200000755665_100016258244 [0,1,0,0,0,1|2,0,0]=4 4329 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_200000755665_100000184502 [0,1,0,0,0,1|2,0,0]=4 4330 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)F 240690a_200000755665_100000718793 [0,1,0,0,0,1|2,0,0]=4 4331 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)I 240690a_200000755665_100020647043 [0,1,0,0,0,1|2,0,0]=4 4332 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)Br 22a_200000730056_100016258244 [0,1,0,0,0,1|2,0,0]=4 4333 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)Cl 22a_200000730056_100000184502 [0,1,0,0,0,1|2,0,0]=4 4334 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)F 22a_200000730056_100000718793 [0,1,0,0,0,1|2,0,0]=4 4335 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)I 22a_200000730056_100020647043 [0,1,0,0,0,1|2,0,0]=4 4336 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)O 22a_200000730056_100102525460 [0,1,0,0,0,1|2,0,0]=4 4337 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000695564 [0,1,0,0,0,1|2,0,0]=4 4338 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000695564 [0,1,0,0,0,1|2,0,0]=4 4339 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000695564 [0,1,0,0,0,1|2,0,0]=4 4340 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000695564 [0,1,0,0,0,1|2,0,0]=4 4341 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000210585_100016258244 [0,1,0,0,0,1|2,0,0]=4 4342 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210585_100000184502 [0,1,0,0,0,1|2,0,0]=4 4343 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000210585_100000718793 [0,1,0,0,0,1|2,0,0]=4 4344 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000210585_100020647043 [0,1,0,0,0,1|2,0,0]=4 4345 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCC(C)C 1458a_100000690095_100011214892 [0,1,0,0,0,1|1,0,0]=3 4346 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCC(C)O 1458a_100000690095_200000718107 [0,1,0,0,0,1|2,0,0]=4 4347 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCN(C)C 1458a_100000690095_100000695564 [0,1,0,0,0,1|2,0,0]=4 4348 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCOC(C)C 1458a_100000690095_100000211751 [0,1,0,0,0,1|1,0,0]=3 4349 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCSC(C)C 1458a_100000690095_100000730970 [0,1,0,0,0,1|1,0,0]=3 4350 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 11a_100000210545_100000690095 [0,1,0,0,0,1|1,0,0]=3 4351 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000690095 [0,1,0,0,0,1|1,0,0]=3 4352 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000690095 [0,1,0,0,0,1|1,0,0]=3 4353 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)O 240690a_200000755665_100000690095 [0,1,0,0,0,1|2,0,0]=4 4354 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCN(C)C 240690a_100000210585_100000690095 [0,1,0,0,0,1|2,0,0]=4 4355 B17R1.14359 Cc1cccc(c1)C=CC(=O)NNCC(C)C 22a_100000696102_100000690095 [0,1,0,0,0,1|1,0,0]=3 4356 B17R1.14359 Cc1cccc(c1)C=CC(=O)NNCC(C)O 22a_200000730056_100000690095 [0,1,0,0,0,1|2,0,0]=4 4357 B17R1.14359 Cc1cccc(c1)CCC(=O)COCC(C)C 1458a_100011223364_100011713685 [0,1,0,0,0,1|0,0,2]=4 4358 B17R1.14359 Cc1cccc(c1)CNC(=O)COCC(C)C 11a_100000185548_100011223364 [0,1,0,0,0,1|1,0,1]=4 4359 B17R1.14359 Cc1cccc(c1)CNC(=O)COCC(C)C 1626a_100000185548_100011223364 [0,1,0,0,0,1|1,0,1]=4 4360 B17R1.14359 Cc1cccc(c1)CNC(=O)COCC(C)C 240690a_100000185548_100011223364 [0,1,0,0,0,1|1,0,1]=4 4361 B17R1.14359 Cc1cccc(c1)CNC(=O)COCC(C)C 34a_100000210257_100000754571 [0,1,0,0,0,1|1,0,1]=4 4362 B17R1.14359 Cc1cccc(c1)CNC(=O)COCC(C)C 527a_100000185548_100011223364 [0,1,0,0,0,1|1,0,1]=4 4363 B17R1.14359 Cc1cccc(c1)NNC(=O)COCC(C)C 22a_100000681630_100011223364 [0,1,0,0,0,1|2,0,0]=4 4364 B17R1.14359 Cc1cncc(c1)C=CC(=O)CCCC(C)C 6a_100011998712_100000753411 [0,1,0,0,0,1|2,0,0]=4 4365 B17R1.14359 Cc1cncc(c1)C=CC(=O)CCOC(C)C 6a_100011998712_200011219172 [0,1,0,0,0,1|2,0,0]=4 4366 B17R1.16221 CC(C)CCNS(=O)(=O)C=Cc1ccccc1 40a_100000210545_100011098038 [0,1,0,0,0,1|2,0,0]=4 4367 B17R1.16221 CC(C)CNNS(=O)(=O)C=Cc1ccccc1 40a_100000696102_100011098038 [0,1,0,0,0,1|2,0,0]=4 4368 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccc1 11a_100000692259_100000210462 [0,1,0,0,0,1|1,0,0]=3 4369 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccc1 1626a_100000692259_100000210462 [0,1,0,0,0,1|1,0,0]=3 4370 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccn1 11a_100000692259_100000740811 [0,1,0,0,0,1|2,0,0]=4 4371 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccn1 240690a_100000692259_100000740811 [0,1,0,0,0,1|2,0,0]=4 4372 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1cccnc1 11a_100000692259_100000735890 [0,1,0,0,0,1|2,0,0]=4 4373 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1cccnc1 240690a_100000692259_100000735890 [0,1,0,0,0,1|2,0,0]=4 4374 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccncc1 240690a_100000692259_100000682801 [0,1,0,0,0,1|2,0,0]=4 4375 B17R1.16524 CC(C)NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183996 [0,1,0,0,0,1|1,0,1]=4 4376 B17R1.16524 CC(C)OC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011215430 [0,1,0,0,0,1|1,0,1]=4 4377 B17R1.16524 CC(C)SC(C)OC(=O)OCc1ccccc1 62a_100000210206_200015597219 [0,1,0,0,0,1|1,0,1]=4 4378 B17R1.16524 CC(C)SC(C)OC(=O)OCc1ccccc1 62a_200015597219_100000210206 [0,1,0,0,0,1|1,0,1]=4 4379 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1ccccc1 11a_100016992788_100000210462 [0,1,0,0,0,1|2,0,0]=4 4380 B17R1.16633 CC(C)C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210206 [0,1,0,0,0,1|1,0,0]=3 4381 B17R1.16633 CC(C)C(=O)NNC(=O)C=Cc1ccccc1 22a_100000184118_100000210462 [0,1,0,0,0,1|1,0,1]=4 4382 B17R1.16633 CC(C)C(=O)OCC(=O)C=Cc1ccccc1 1458a_100000210462_100000139345 [0,1,0,0,0,1|0,0,1]=3 4383 B17R1.16633 CC(C)C(=O)OCC(=O)C=Cc1ccccn1 1458a_100000740811_100000139345 [0,1,0,0,0,1|1,0,1]=4 4384 B17R1.16633 CC(C)C(=O)OCC(=O)C=Cc1cccnc1 1458a_100000735890_100000139345 [0,1,0,0,0,1|1,0,1]=4 4385 B17R1.16633 CC(C)C(=O)OCC(=O)C=Cc1ccncc1 1458a_100000682801_100000139345 [0,1,0,0,0,1|1,0,1]=4 4386 B17R1.16633 CC(C)C(C)OCC(=O)CCc1ccccc1 7a_100000748068_100012361361 [0,1,0,0,0,1|0,0,2]=4 4387 B17R1.16633 CC(C)C(C)OCC(=O)NCc1ccccc1 7a_100000748068_100000183539 [0,1,0,0,0,1|1,0,1]=4 4388 B17R1.16633 CC(C)C(C)OCC(=O)OCc1ccccc1 7a_100000748068_100000753625 [0,1,0,0,0,1|1,0,1]=4 4389 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccc1 11a_100000759067_100000210462 [0,1,0,0,0,1|1,0,0]=3 4390 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccn1 11a_100000759067_100000740811 [0,1,0,0,0,1|2,0,0]=4 4391 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccn1 240690a_100000759067_100000740811 [0,1,0,0,0,1|2,0,0]=4 4392 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1cccnc1 11a_100000759067_100000735890 [0,1,0,0,0,1|2,0,0]=4 4393 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1cccnc1 240690a_100000759067_100000735890 [0,1,0,0,0,1|2,0,0]=4 4394 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccncc1 240690a_100000759067_100000682801 [0,1,0,0,0,1|2,0,0]=4 4395 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 11a_100102631434_100000183125 [0,1,0,0,0,1|2,0,0]=4 4396 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 240690a_100102631434_100000183125 [0,1,0,0,0,1|2,0,0]=4 4397 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 527a_100102631434_100000183125 [0,1,0,0,0,1|2,0,0]=4 4398 B17R1.16633 CN(C)C(=O)CNC(=O)C=Cc1ccccc1 11a_100015183351_100000210462 [0,1,0,0,0,1|2,0,0]=4 4399 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccc1 11a_100000738805_100000210462 [0,1,0,0,0,1|1,0,0]=3 4400 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccc1 1626a_100000738805_100000210462 [0,1,0,0,0,1|1,0,0]=3 4401 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccn1 11a_100000738805_100000740811 [0,1,0,0,0,1|2,0,0]=4 4402 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccn1 240690a_100000738805_100000740811 [0,1,0,0,0,1|2,0,0]=4 4403 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1cccnc1 11a_100000738805_100000735890 [0,1,0,0,0,1|2,0,0]=4 4404 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1cccnc1 240690a_100000738805_100000735890 [0,1,0,0,0,1|2,0,0]=4 4405 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccncc1 240690a_100000738805_100000682801 [0,1,0,0,0,1|2,0,0]=4 4406 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccc1 11a_100016253952_100000210462 [0,1,0,0,0,1|1,0,0]=3 4407 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccc1 1626a_100016253952_100000210462 [0,1,0,0,0,1|1,0,0]=3 4408 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccn1 11a_100016253952_100000740811 [0,1,0,0,0,1|2,0,0]=4 4409 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccn1 240690a_100016253952_100000740811 [0,1,0,0,0,1|2,0,0]=4 4410 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1cccnc1 11a_100016253952_100000735890 [0,1,0,0,0,1|2,0,0]=4 4411 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1cccnc1 240690a_100016253952_100000735890 [0,1,0,0,0,1|2,0,0]=4 4412 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccncc1 240690a_100016253952_100000682801 [0,1,0,0,0,1|2,0,0]=4 4413 B17R1.40529 CC(C)(F)COCC(=O)CCc1ccccc1 34a_100000716592_100012361361 [0,1,0,0,0,1|0,0,2]=4 4414 B17R1.40529 CC(C)(F)COCC(=O)NCc1ccccc1 34a_100000716592_100000183539 [0,1,0,0,0,1|1,0,1]=4 4415 B17R1.40529 CC(C)(F)COCC(=O)OCc1ccccc1 34a_100000716592_100000753625 [0,1,0,0,0,1|1,0,1]=4 4416 B17R1.40529 CC(C)(O)CCNC(=O)C=Cc1ccccc1 1626a_100000707701_100000210462 [0,1,0,0,0,1|1,0,0]=3 4417 B17R1.40529 C[N+](C)(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100016990835 [0,1,0,0,0,1|2,0,0]=4 4418 B17R1.40529 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1 1626a_100000106457_100000210462 [0,1,0,0,0,1|2,0,0]=4 4419 B17R1.40529 C[Si](C)(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011219597 [0,1,0,0,0,1|1,1,0]=4 4420 B17R1.40529 C[Si](C)(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000032530 [0,1,0,0,0,1|1,1,0]=4 4421 B17R1.1327 CC(C)CCC(=O)CCC(=O)c1ccccc1 1458a_100000181311_100000750707 [0,1,0,0,0,1|1,0,1]=4 4422 B17R1.1327 CC(C)CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210312 [0,1,0,0,0,1|1,0,1]=4 4423 B17R1.1327 CC(C)CCC(=O)COC(=O)c1ccccc1 1458a_100000181311_100000073877 [0,1,0,0,0,1|1,0,1]=4 4424 B17R1.1327 CC(C)CCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210312 [0,1,0,0,0,1|1,0,1]=4 4425 B17R1.1327 CC(C)CCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000181311 [0,1,0,0,0,1|2,0,0]=4 4426 B17R1.1327 CC(C)CNC(=O)CNC(=O)c1ccccc1 11a_100000210953_100000182045 [0,1,0,0,0,1|1,0,1]=4 4427 B17R1.1327 CC(C)CNC(=O)CNC(=O)c1ccccc1 1626a_100000210953_100000182045 [0,1,0,0,0,1|1,0,1]=4 4428 B17R1.1327 CC(C)CNC(=O)CNC(=O)c1ccccc1 240690a_100000210953_100000182045 [0,1,0,0,0,1|1,0,1]=4 4429 B17R1.1327 CC(C)CNC(=O)CNC(=O)c1ccccc1 527a_100000210953_100000182045 [0,1,0,0,0,1|1,0,1]=4 4430 B17R1.1327 CC(C)CNC(=O)CSC(=S)c1ccccc1 1626a_100000210953_100000043459 [0,1,0,0,0,1|1,0,1]=4 4431 B17R1.1327 CC(C)CNC(=O)CSC(=S)c1ccccc1 240690a_100000210953_100000043459 [0,1,0,0,0,1|1,0,1]=4 4432 B17R1.1327 CC(C)CNC(=O)CSC(=S)c1ccccc1 527a_100000210953_100000043459 [0,1,0,0,0,1|1,0,1]=4 4433 B17R1.1327 CC(C)CNC(=O)NNC(=O)c1ccccc1 273464a_100000210953_100000184135 [0,1,0,0,0,1|2,0,0]=4 4434 B17R1.1327 CC(C)CNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100000210953 [0,1,0,0,0,1|2,0,0]=4 4435 B17R1.5005 CC(C)CCC(=O)CC(=O)Cc1ccccc1 1458a_100000181311_100000233483 [0,1,0,0,0,1|1,0,1]=4 4436 B17R1.5005 CC(C)CCC(=O)CC(=O)Nc1ccccc1 1458a_100000181311_100000182850 [0,1,0,0,0,1|1,0,1]=4 4437 B17R1.5005 CC(C)CCC(=O)CC(=O)Oc1ccccc1 1458a_100000181311_100009813826 [0,1,0,0,0,1|1,0,1]=4 4438 B17R1.5005 CC(C)CNC(=O)CC(=O)Oc1ccccc1 240690a_100000210953_200000075362 [0,1,0,0,0,1|1,0,1]=4 4439 B17R1.16303 CC(C)C(=O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000753385 [0,1,0,0,0,1|1,0,1]=4 4440 B17R1.16303 CC(C)C(=O)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000753385 [0,1,0,0,0,1|1,0,1]=4 4441 B17R1.16303 CC(C)C(C)NC(=O)C/C=C/c1ccccc1 11a_100000211541_100011219626 [0,1,0,0,0,1|1,0,0]=3 4442 B17R1.16303 CC(C)C(C)NC(=O)C/C=C/c1ccccc1 1626a_100000211541_100011219626 [0,1,0,0,0,1|1,0,0]=3 4443 B17R1.16303 CC(C)C(C)NC(=O)C/C=C/c1ccccc1 240690a_100000211541_100011219626 [0,1,0,0,0,1|1,0,0]=3 4444 B17R1.16303 CC(C)C(C)NC(=O)C=CSc1ccccc1 11a_100000211541_100016262050 [0,1,0,0,0,1|1,0,0]=3 4445 B17R1.16303 CC(C)C(C)NC(=O)C=CSc1ccccc1 1626a_100000211541_100016262050 [0,1,0,0,0,1|1,0,0]=3 4446 B17R1.16303 CC(C)C(C)NC(=O)C=CSc1ccccc1 240690a_100000211541_100016262050 [0,1,0,0,0,1|1,0,0]=3 4447 B17R1.16303 CC(C)N(C)CC(=O)C/C=C/c1ccccc1 1458a_100000743827_100016265936 [0,1,0,0,0,1|2,0,0]=4 4448 B17R1.16303 CC(CC(=O)C/C=C/c1ccccc1)N(C)C 1458a_100011311895_100016265936 [0,1,0,0,0,1|2,0,0]=4 4449 B17R1.16318 CC(C)CC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100000731052 [0,1,0,0,0,1|1,0,0]=3 4450 B17R1.16318 CC(C)CC(C)C(=O)C=CSc1ccccc1 1458a_100016262050_100000731052 [0,1,0,0,0,1|1,0,0]=3 4451 B17R1.16318 CC(C)CN(C)C(=O)C/C=C/c1ccccc1 11a_100000747067_100011219626 [0,1,0,0,0,1|1,0,0]=3 4452 B17R1.16318 CC(C)CN(C)C(=O)C/C=C/c1ccccc1 1626a_100000747067_100011219626 [0,1,0,0,0,1|1,0,0]=3 4453 B17R1.16318 CC(C)CN(C)C(=O)C/C=C/c1ccccc1 240690a_100000747067_100011219626 [0,1,0,0,0,1|1,0,0]=3 4454 B17R1.16318 CC(C)CN(C)C(=O)C=CSc1ccccc1 11a_100000747067_100016262050 [0,1,0,0,0,1|1,0,0]=3 4455 B17R1.16318 CC(C)CN(C)C(=O)C=CSc1ccccc1 1626a_100000747067_100016262050 [0,1,0,0,0,1|1,0,0]=3 4456 B17R1.16318 CC(C)CN(C)C(=O)C=CSc1ccccc1 240690a_100000747067_100016262050 [0,1,0,0,0,1|1,0,0]=3 4457 B17R1.16318 CC(C)C[C@H](O)C(=O)C/C=C/c1ccccc1 1458a_100012027011_100016265936 [0,1,0,0,0,1|1,0,0]=3 4458 B17R1.16318 CC(C)NC(=O)C(=O)C/C=C/c1ccccc1 1458a_100011220036_100016265936 [0,1,0,0,0,1|2,0,0]=4 4459 B17R1.16318 CC(CN(C)C)C(=O)C/C=C/c1ccccc1 1458a_200015186601_100016265936 [0,1,0,0,0,1|2,0,0]=4 4460 B17R1.16318 CC(O)CN(C)C(=O)C/C=C/c1ccccc1 240690a_100000227577_100011219626 [0,1,0,0,0,1|2,0,0]=4 4461 B17R1.16318 CC(O)CN(C)C(=O)C=CSc1ccccc1 240690a_100000227577_100016262050 [0,1,0,0,0,1|2,0,0]=4 4462 B17R1.26833 CC(CO)CNC(=O)C/C=C/c1ccccc1 240690a_100000744482_100011219626 [0,1,0,0,0,1|1,0,0]=3 4463 B17R1.26833 CC(CO)CNC(=O)C=CSc1ccccc1 240690a_100000744482_100016262050 [0,1,0,0,0,1|1,0,0]=3 4464 B17R1.26833 CCC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000701222_100016265936 [0,1,0,0,0,1|1,0,0]=3 4465 B17R1.26833 CCC(C)CNC(=O)C/C=C/c1ccccc1 11a_100020588543_100011219626 [0,1,0,0,0,1|1,0,0]=3 4466 B17R1.26833 CCC(C)CNC(=O)C/C=C/c1ccccc1 1626a_100020588543_100011219626 [0,1,0,0,0,1|1,0,0]=3 4467 B17R1.26833 CCC(C)CNC(=O)C/C=C/c1ccccc1 240690a_100020588543_100011219626 [0,1,0,0,0,1|1,0,0]=3 4468 B17R1.26833 CCC(C)CNC(=O)C=CSc1ccccc1 11a_100020588543_100016262050 [0,1,0,0,0,1|1,0,0]=3 4469 B17R1.26833 CCC(C)CNC(=O)C=CSc1ccccc1 1626a_100020588543_100016262050 [0,1,0,0,0,1|1,0,0]=3 4470 B17R1.26833 CCC(C)CNC(=O)C=CSc1ccccc1 240690a_100020588543_100016262050 [0,1,0,0,0,1|1,0,0]=3 4471 B17R1.26833 CCC(C)NNC(=O)C/C=C/c1ccccc1 22a_100000718999_100011219626 [0,1,0,0,0,1|2,0,0]=4 4472 B17R1.26833 CCC(C)NNC(=O)C=CSc1ccccc1 22a_100000718999_100016262050 [0,1,0,0,0,1|2,0,0]=4 4473 B17R1.26833 CCC(O)CNC(=O)C/C=C/c1ccccc1 11a_100011218483_100011219626 [0,1,0,0,0,1|2,0,0]=4 4474 B17R1.26833 CCC(O)CNC(=O)C/C=C/c1ccccc1 240690a_100011218483_100011219626 [0,1,0,0,0,1|2,0,0]=4 4475 B17R1.26833 CCC(O)CNC(=O)C=CSc1ccccc1 11a_100011218483_100016262050 [0,1,0,0,0,1|2,0,0]=4 4476 B17R1.26833 CCC(O)CNC(=O)C=CSc1ccccc1 240690a_100011218483_100016262050 [0,1,0,0,0,1|2,0,0]=4 4477 B17R1.26833 CCN(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000755305_100016265936 [0,1,0,0,0,1|2,0,0]=4 4478 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 11a_100020591295_100011219626 [0,1,0,0,0,1|1,0,0]=3 4479 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 1626a_100020591295_100011219626 [0,1,0,0,0,1|1,0,0]=3 4480 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 240690a_100020591295_100011219626 [0,1,0,0,0,1|1,0,0]=3 4481 B17R1.26833 CO[C@H](C)CNC(=O)C=CSc1ccccc1 11a_100020591295_100016262050 [0,1,0,0,0,1|1,0,0]=3 4482 B17R1.26833 CO[C@H](C)CNC(=O)C=CSc1ccccc1 1626a_100020591295_100016262050 [0,1,0,0,0,1|1,0,0]=3 4483 B17R1.26833 CO[C@H](C)CNC(=O)C=CSc1ccccc1 240690a_100020591295_100016262050 [0,1,0,0,0,1|1,0,0]=3 4484 B17R1.26833 O=C(C/C=C/c1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100011219626 [0,1,0,0,0,1|2,0,0]=4 4485 B17R1.26833 O=C(C/C=C/c1ccccc1)NC[C@H](O)CO 240690a_100020644852_100011219626 [0,1,0,0,0,1|2,0,0]=4 4486 B17R1.26833 O=C(C=CSc1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100016262050 [0,1,0,0,0,1|2,0,0]=4 4487 B17R1.26833 O=C(C=CSc1ccccc1)NC[C@H](O)CO 240690a_100020644852_100016262050 [0,1,0,0,0,1|2,0,0]=4 4488 B17R1.104771 CC(C)(C)C#CC(=O)C/C=C/c1ccccc1 1458a_100011966651_100016265936 [0,1,0,0,0,1|1,0,1]=4 4489 B17R1.104771 CC(C)(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000757465_100016265936 [0,1,0,0,0,1|1,0,0]=3 4490 B17R1.104771 CC(C)(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000755188 [0,1,0,0,0,1|1,0,0]=3 4491 B17R1.104771 CC(C)(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000755188 [0,1,0,0,0,1|1,0,0]=3 4492 B17R1.104771 CC(C)(C)CNC(=O)C/C=C/c1ccccc1 11a_100000743828_100011219626 [0,1,0,0,0,1|1,0,0]=3 4493 B17R1.104771 CC(C)(C)CNC(=O)C/C=C/c1ccccc1 1626a_100000743828_100011219626 [0,1,0,0,0,1|1,0,0]=3 4494 B17R1.104771 CC(C)(C)CNC(=O)C/C=C/c1ccccc1 240690a_100000743828_100011219626 [0,1,0,0,0,1|1,0,0]=3 4495 B17R1.104771 CC(C)(C)CNC(=O)C=CSc1ccccc1 11a_100000743828_100016262050 [0,1,0,0,0,1|1,0,0]=3 4496 B17R1.104771 CC(C)(C)CNC(=O)C=CSc1ccccc1 1626a_100000743828_100016262050 [0,1,0,0,0,1|1,0,0]=3 4497 B17R1.104771 CC(C)(C)CNC(=O)C=CSc1ccccc1 240690a_100000743828_100016262050 [0,1,0,0,0,1|1,0,0]=3 4498 B17R1.104771 CC(C)(C)COC(=O)CNCc1ccccc1 2230a_100015324214_200010402935 [0,1,0,0,0,1|0,0,2]=4 4499 B17R1.104771 CC(C)(C)COC(=O)CNCc1ccccc1 34a_100015324214_200010402935 [0,1,0,0,0,1|0,0,2]=4 4500 B17R1.104771 CC(C)(C)COC(=O)COCc1ccccc1 34a_100000210790_200010402935 [0,1,0,0,0,1|0,0,2]=4 4501 B17R1.104771 CC(C)(C)COC(=O)COCc1ccccc1 7a_100000210790_200010402935 [0,1,0,0,0,1|0,0,2]=4 4502 B17R1.104771 CC(C)(C)COC(=O)CSCc1ccccc1 62a_100000211182_200010402935 [0,1,0,0,0,1|0,0,2]=4 4503 B17R1.104771 CC(C)(C)COC(=O)CSCc1ccccc1 62a_200010402935_100015291786 [0,1,0,0,0,1|0,0,2]=4 4504 B17R1.104771 CC(C)(C)NNC(=O)C/C=C/c1ccccc1 22a_100000725372_100011219626 [0,1,0,0,0,1|2,0,0]=4 4505 B17R1.104771 CC(C)(C)NNC(=O)C=CSc1ccccc1 22a_100000725372_100016262050 [0,1,0,0,0,1|2,0,0]=4 4506 B17R1.104771 CC(C)(C)OCC(=O)C/C=C/c1ccccc1 1458a_100000686494_100016265936 [0,1,0,0,0,1|2,0,0]=4 4507 B17R1.104771 CC(C)(F)CNC(=O)C/C=C/c1ccccc1 11a_100020643315_100011219626 [0,1,0,0,0,1|1,0,0]=3 4508 B17R1.104771 CC(C)(F)CNC(=O)C/C=C/c1ccccc1 1626a_100020643315_100011219626 [0,1,0,0,0,1|1,0,0]=3 4509 B17R1.104771 CC(C)(F)CNC(=O)C/C=C/c1ccccc1 240690a_100020643315_100011219626 [0,1,0,0,0,1|1,0,0]=3 4510 B17R1.104771 CC(C)(F)CNC(=O)C=CSc1ccccc1 11a_100020643315_100016262050 [0,1,0,0,0,1|1,0,0]=3 4511 B17R1.104771 CC(C)(F)CNC(=O)C=CSc1ccccc1 1626a_100020643315_100016262050 [0,1,0,0,0,1|1,0,0]=3 4512 B17R1.104771 CC(C)(F)CNC(=O)C=CSc1ccccc1 240690a_100020643315_100016262050 [0,1,0,0,0,1|1,0,0]=3 4513 B17R1.104771 CC(C)(O)CNC(=O)C/C=C/c1ccccc1 1626a_100000751335_100011219626 [0,1,0,0,0,1|1,0,0]=3 4514 B17R1.104771 CC(C)(O)CNC(=O)C/C=C/c1ccccc1 240690a_100000751335_100011219626 [0,1,0,0,0,1|1,0,0]=3 4515 B17R1.104771 CC(C)(O)CNC(=O)C=CSc1ccccc1 1626a_100000751335_100016262050 [0,1,0,0,0,1|1,0,0]=3 4516 B17R1.104771 CC(C)(O)CNC(=O)C=CSc1ccccc1 240690a_100000751335_100016262050 [0,1,0,0,0,1|1,0,0]=3 4517 B17R1.104771 CC(F)(F)CCC(=O)C/C=C/c1ccccc1 1458a_100000030992_100016265936 [0,1,0,0,0,1|2,0,0]=4 4518 B17R1.104771 CC(F)(F)CNC(=O)C/C=C/c1ccccc1 11a_100000731000_100011219626 [0,1,0,0,0,1|2,0,0]=4 4519 B17R1.104771 CC(F)(F)CNC(=O)C/C=C/c1ccccc1 1626a_100000731000_100011219626 [0,1,0,0,0,1|2,0,0]=4 4520 B17R1.104771 CC(F)(F)CNC(=O)C/C=C/c1ccccc1 240690a_100000731000_100011219626 [0,1,0,0,0,1|2,0,0]=4 4521 B17R1.104771 CC(F)(F)CNC(=O)C=CSc1ccccc1 11a_100000731000_100016262050 [0,1,0,0,0,1|2,0,0]=4 4522 B17R1.104771 CC(F)(F)CNC(=O)C=CSc1ccccc1 1626a_100000731000_100016262050 [0,1,0,0,0,1|2,0,0]=4 4523 B17R1.104771 CC(F)(F)CNC(=O)C=CSc1ccccc1 240690a_100000731000_100016262050 [0,1,0,0,0,1|2,0,0]=4 4524 B17R1.104771 C[N+](C)(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000085578 [0,1,0,0,0,1|2,0,0]=4 4525 B17R1.104771 C[N+](C)(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000085578 [0,1,0,0,0,1|2,0,0]=4 4526 B17R1.104771 C[Si](C)(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011215282_100016265936 [0,1,0,0,0,1|1,1,0]=4 4527 B17R1.104771 C[Si](C)(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000733723 [0,1,0,0,0,1|1,1,0]=4 4528 B17R1.104771 C[Si](C)(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_200000733723 [0,1,0,0,0,1|1,1,0]=4 4529 B17R1.104771 C[Si](C)(C)CNC(=O)C/C=C/c1ccccc1 11a_102516607284_100011219626 [0,1,0,0,0,1|1,1,0]=4 4530 B17R1.104771 C[Si](C)(C)CNC(=O)C/C=C/c1ccccc1 1626a_102516607284_100011219626 [0,1,0,0,0,1|1,1,0]=4 4531 B17R1.104771 C[Si](C)(C)CNC(=O)C/C=C/c1ccccc1 240690a_102516607284_100011219626 [0,1,0,0,0,1|1,1,0]=4 4532 B17R1.104771 C[Si](C)(C)CNC(=O)C=CSc1ccccc1 11a_102516607284_100016262050 [0,1,0,0,0,1|1,1,0]=4 4533 B17R1.104771 C[Si](C)(C)CNC(=O)C=CSc1ccccc1 1626a_102516607284_100016262050 [0,1,0,0,0,1|1,1,0]=4 4534 B17R1.104771 C[Si](C)(C)CNC(=O)C=CSc1ccccc1 240690a_102516607284_100016262050 [0,1,0,0,0,1|1,1,0]=4 4535 B17R1.1421 CC(C)CCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210312 [0,2,0,0,0,0|1,0,0]=3 4536 B17R1.1421 CC(C)CNC(=O)C=Cc1ccccc1C#N 11a_100000210953_100016294624 [0,2,0,0,0,0|1,0,0]=3 4537 B17R1.1421 CC(C)NNC(=O)C=Cc1ccccc1C#N 22a_100000741168_100016294624 [0,2,0,0,0,0|2,0,0]=4 4538 B17R1.1421 CC(O)CCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100012276601 [0,2,0,0,0,0|2,0,0]=4 4539 B17R1.1421 CC(O)CNC(=O)C=Cc1ccccc1C#N 11a_100000210904_100016294624 [0,2,0,0,0,0|2,0,0]=4 4540 B17R1.1421 COc1ccccc1C=CC(=O)CCC(C)C 1458a_100000182468_100000210312 [0,2,0,0,0,0|1,0,0]=3 4541 B17R1.1421 COc1ccccc1C=CC(=O)CCC(C)O 1458a_100000182468_100012276601 [0,2,0,0,0,0|2,0,0]=4 4542 B17R1.1421 COc1ccccc1C=CC(=O)NCC(C)C 11a_100000210953_100000182468 [0,2,0,0,0,0|1,0,0]=3 4543 B17R1.1421 COc1ccccc1C=CC(=O)NCC(C)C 1626a_100000210953_100000182468 [0,2,0,0,0,0|1,0,0]=3 4544 B17R1.1421 COc1ccccc1C=CC(=O)NCC(C)O 11a_100000210904_100000182468 [0,2,0,0,0,0|2,0,0]=4 4545 B17R1.1421 COc1ccccc1C=CC(=O)NNC(C)C 22a_100000741168_100000182468 [0,2,0,0,0,0|2,0,0]=4 4546 B17R1.1421 COc1ncccc1C=CC(=O)CCC(C)C 1458a_100102601226_100000210312 [0,2,0,0,0,0|2,0,0]=4 4547 B17R1.1421 COc1ncccc1C=CC(=O)NCC(C)C 11a_100000210953_100102601226 [0,2,0,0,0,0|2,0,0]=4 4548 B17R1.1421 COc1ncccc1C=CC(=O)NCC(C)C 1626a_100000210953_100102601226 [0,2,0,0,0,0|2,0,0]=4 4549 B17R1.8980 CC(C)CCC(=O)CC(=O)c1ccccc1Br 1458a_100000181311_100000199116 [0,2,0,0,0,0|1,0,1]=4 4550 B17R1.8980 CC(C)CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000181311_100000211432 [0,2,0,0,0,0|1,0,1]=4 4551 B17R1.8980 CC(C)CCC(=O)CC(=O)c1ccccc1F 1458a_100000181311_100000204681 [0,2,0,0,0,0|1,0,1]=4 4552 B17R1.8980 CC(C)CCC(=O)CC(=O)c1ccccc1O 1458a_100000181311_100000188908 [0,2,0,0,0,0|1,0,1]=4 4553 B17R1.8980 CC(C)CNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183291 [0,2,0,0,0,0|1,0,1]=4 4554 B17R1.8980 CC(C)CNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183291 [0,2,0,0,0,0|1,0,1]=4 4555 B17R1.8980 CC(C)CNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183291 [0,2,0,0,0,0|1,0,1]=4 4556 B17R1.8980 CC(C)CNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183291 [0,2,0,0,0,0|1,0,1]=4 4557 B17R1.8980 CC(C)CNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183291 [0,2,0,0,0,0|1,0,1]=4 4558 B17R1.8980 CC(C)CNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183291 [0,2,0,0,0,0|1,0,1]=4 4559 B17R1.8980 Cc1ccccc1C(=O)CC(=O)CCC(C)C 1458a_100000181311_100000741374 [0,2,0,0,0,0|1,0,1]=4 4560 B17R1.8980 Cc1ccccc1C(=O)CC(=O)NCC(C)C 1458a_100000212026_100000183291 [0,2,0,0,0,0|1,0,1]=4 4561 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)CCC(C)C 1458a_100000693296_100000210312 [0,2,0,0,0,0|1,0,0]=3 4562 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)CCC(C)O 1458a_100000693296_100012276601 [0,2,0,0,0,0|2,0,0]=4 4563 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NCC(C)C 11a_100000210953_100000693296 [0,2,0,0,0,0|1,0,0]=3 4564 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NCC(C)C 1626a_100000210953_100000693296 [0,2,0,0,0,0|1,0,0]=3 4565 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NCC(C)C 240690a_100000210953_100000693296 [0,2,0,0,0,0|1,0,0]=3 4566 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NCC(C)C 527a_100000210953_100000693296 [0,2,0,0,0,0|1,0,0]=3 4567 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NCC(C)O 11a_100000210904_100000693296 [0,2,0,0,0,0|2,0,0]=4 4568 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NCC(C)O 240690a_100000210904_100000693296 [0,2,0,0,0,0|2,0,0]=4 4569 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NCC(C)O 527a_100000210904_100000693296 [0,2,0,0,0,0|2,0,0]=4 4570 B17R1.8994 CC(=Cc1ccccc1Cl)C(=O)NNC(C)C 22a_100000741168_100000693296 [0,2,0,0,0,0|2,0,0]=4 4571 B17R1.8994 CC(C)CCC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_100000210312 [0,2,0,0,0,0|2,0,0]=4 4572 B17R1.8994 CC(C)CNC(=O)C(=O)Cc1ccccc1Br 1458a_200011297155_100000184730 [0,2,0,0,0,0|1,0,1]=4 4573 B17R1.8994 CC(C)CNC(=O)C(=O)Cc1ccccc1Cl 1458a_200011297155_100000187162 [0,2,0,0,0,0|1,0,1]=4 4574 B17R1.8994 CC(C)CNC(=O)C(=O)Cc1ccccc1F 1458a_200011297155_100000187165 [0,2,0,0,0,0|1,0,1]=4 4575 B17R1.8994 CC(C)CNC(=O)C(=O)Cc1ccccc1I 1458a_200011297155_100011216222 [0,2,0,0,0,0|1,0,1]=4 4576 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_200011297155 [0,2,0,0,0,0|2,0,0]=4 4577 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_200011297155 [0,2,0,0,0,0|2,0,0]=4 4578 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_200011297155 [0,2,0,0,0,0|2,0,0]=4 4579 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1Cl 240690a_100000210953_200011297307 [0,2,0,0,0,0|2,0,0]=4 4580 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_200011297155 [0,2,0,0,0,0|2,0,0]=4 4581 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_200011297155 [0,2,0,0,0,0|2,0,0]=4 4582 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1F 22a_100000210422_200011297155 [0,2,0,0,0,0|2,0,0]=4 4583 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1F 240690a_100000210953_200011297310 [0,2,0,0,0,0|2,0,0]=4 4584 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1F 527a_100000210422_200011297155 [0,2,0,0,0,0|2,0,0]=4 4585 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_200011297155 [0,2,0,0,0,0|2,0,0]=4 4586 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1O 22a_100000185747_200011297155 [0,2,0,0,0,0|2,0,0]=4 4587 B17R1.8994 CC(C)CNC(=O)C(=O)Nc1ccccc1O 527a_100000185747_200011297155 [0,2,0,0,0,0|2,0,0]=4 4588 B17R1.8994 Cc1ccccc1CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000211839 [0,2,0,0,0,0|1,0,1]=4 4589 B17R1.8994 Cc1ccccc1NC(=O)C(=O)CCC(C)C 1458a_200011297352_100000210312 [0,2,0,0,0,0|2,0,0]=4 4590 B17R1.8994 Cc1ccccc1NC(=O)C(=O)NCC(C)C 1626a_100015192222_200011297155 [0,2,0,0,0,0|2,0,0]=4 4591 B17R1.8994 Cc1ccccc1NC(=O)C(=O)NCC(C)C 22a_100015192222_200011297155 [0,2,0,0,0,0|2,0,0]=4 4592 B17R1.8994 Cc1ccccc1NC(=O)C(=O)NCC(C)C 240690a_100000210953_200011297352 [0,2,0,0,0,0|2,0,0]=4 4593 B17R1.8994 Cc1ccccc1NC(=O)C(=O)NCC(C)C 527a_100015192222_200011297155 [0,2,0,0,0,0|2,0,0]=4 4594 B17R1.9013 CC(C)CC(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100000731052 [0,2,0,0,0,0|1,0,0]=3 4595 B17R1.9013 CC(C)CC(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000731052 [0,2,0,0,0,0|1,0,0]=3 4596 B17R1.9013 CC(C)CC(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_100000731052 [0,2,0,0,0,0|1,0,0]=3 4597 B17R1.9013 CC(C)CC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000731052 [0,2,0,0,0,0|1,0,0]=3 4598 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1Br 11a_100000747067_100000719032 [0,2,0,0,0,0|1,0,0]=3 4599 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1Br 1626a_100000747067_100000719032 [0,2,0,0,0,0|1,0,0]=3 4600 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1Br 240690a_100000747067_100000719032 [0,2,0,0,0,0|1,0,0]=3 4601 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1Cl 11a_100000747067_100000720304 [0,2,0,0,0,0|1,0,0]=3 4602 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000747067_100000720304 [0,2,0,0,0,0|1,0,0]=3 4603 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000747067_100000720304 [0,2,0,0,0,0|1,0,0]=3 4604 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1F 11a_100000747067_100016256065 [0,2,0,0,0,0|1,0,0]=3 4605 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1F 1626a_100000747067_100016256065 [0,2,0,0,0,0|1,0,0]=3 4606 B17R1.9013 CC(C)CN(C)C(=O)C=Cc1ccccc1F 240690a_100000747067_100016256065 [0,2,0,0,0,0|1,0,0]=3 4607 B17R1.9013 CC(O)CN(C)C(=O)C=Cc1ccccc1Br 240690a_100000227577_100000719032 [0,2,0,0,0,0|2,0,0]=4 4608 B17R1.9013 CC(O)CN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000227577_100000720304 [0,2,0,0,0,0|2,0,0]=4 4609 B17R1.9013 CC(O)CN(C)C(=O)C=Cc1ccccc1F 240690a_100000227577_100016256065 [0,2,0,0,0,0|2,0,0]=4 4610 B17R1.9013 Cc1ccccc1C=CC(=O)N(C)CC(C)C 1626a_100000747067_100016266485 [0,2,0,0,0,0|1,0,0]=3 4611 B17R1.9014 CC(C)C(=O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000753385 [0,2,0,0,0,0|1,0,1]=4 4612 B17R1.9014 CC(C)C(=O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000753385 [0,2,0,0,0,0|1,0,1]=4 4613 B17R1.9014 CC(C)C(=O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000753385 [0,2,0,0,0,0|1,0,1]=4 4614 B17R1.9014 CC(C)C(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000753385 [0,2,0,0,0,0|1,0,1]=4 4615 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1Br 11a_100000211541_100000719032 [0,2,0,0,0,0|1,0,0]=3 4616 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1Br 1626a_100000211541_100000719032 [0,2,0,0,0,0|1,0,0]=3 4617 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1Br 240690a_100000211541_100000719032 [0,2,0,0,0,0|1,0,0]=3 4618 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1Cl 11a_100000211541_100000720304 [0,2,0,0,0,0|1,0,0]=3 4619 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1Cl 1626a_100000211541_100000720304 [0,2,0,0,0,0|1,0,0]=3 4620 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1Cl 240690a_100000211541_100000720304 [0,2,0,0,0,0|1,0,0]=3 4621 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1F 11a_100000211541_100016256065 [0,2,0,0,0,0|1,0,0]=3 4622 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1F 1626a_100000211541_100016256065 [0,2,0,0,0,0|1,0,0]=3 4623 B17R1.9014 CC(C)C(C)NC(=O)C=Cc1ccccc1F 240690a_100000211541_100016256065 [0,2,0,0,0,0|1,0,0]=3 4624 B17R1.9014 Cc1ccccc1C=CC(=O)NC(C)C(C)C 1626a_100000211541_100016266485 [0,2,0,0,0,0|1,0,0]=3 4625 B17R1.9042 CC(CO)CNC(=O)C=Cc1ccccc1Br 240690a_100000744482_100000719032 [0,2,0,0,0,0|1,0,0]=3 4626 B17R1.9042 CC(CO)CNC(=O)C=Cc1ccccc1Cl 240690a_100000744482_100000720304 [0,2,0,0,0,0|1,0,0]=3 4627 B17R1.9042 CC(CO)CNC(=O)C=Cc1ccccc1F 240690a_100000744482_100016256065 [0,2,0,0,0,0|1,0,0]=3 4628 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Br 11a_100020588543_100000719032 [0,2,0,0,0,0|1,0,0]=3 4629 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Br 1626a_100020588543_100000719032 [0,2,0,0,0,0|1,0,0]=3 4630 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Br 240690a_100020588543_100000719032 [0,2,0,0,0,0|1,0,0]=3 4631 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1C 1626a_100020588543_100016266485 [0,2,0,0,0,0|1,0,0]=3 4632 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Cl 11a_100020588543_100000720304 [0,2,0,0,0,0|1,0,0]=3 4633 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100020588543_100000720304 [0,2,0,0,0,0|1,0,0]=3 4634 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100020588543_100000720304 [0,2,0,0,0,0|1,0,0]=3 4635 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1F 11a_100020588543_100016256065 [0,2,0,0,0,0|1,0,0]=3 4636 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1F 1626a_100020588543_100016256065 [0,2,0,0,0,0|1,0,0]=3 4637 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1F 240690a_100020588543_100016256065 [0,2,0,0,0,0|1,0,0]=3 4638 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1Br 22a_100000718999_100000719032 [0,2,0,0,0,0|2,0,0]=4 4639 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1C 22a_100000718999_100016266485 [0,2,0,0,0,0|2,0,0]=4 4640 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1Cl 22a_100000718999_100000720304 [0,2,0,0,0,0|2,0,0]=4 4641 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1F 22a_100000718999_100016256065 [0,2,0,0,0,0|2,0,0]=4 4642 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1O 22a_100000718999_100016263591 [0,2,0,0,0,0|2,0,0]=4 4643 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Br 11a_100011218483_100000719032 [0,2,0,0,0,0|2,0,0]=4 4644 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Br 240690a_100011218483_100000719032 [0,2,0,0,0,0|2,0,0]=4 4645 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Cl 11a_100011218483_100000720304 [0,2,0,0,0,0|2,0,0]=4 4646 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Cl 240690a_100011218483_100000720304 [0,2,0,0,0,0|2,0,0]=4 4647 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1F 11a_100011218483_100016256065 [0,2,0,0,0,0|2,0,0]=4 4648 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1F 240690a_100011218483_100016256065 [0,2,0,0,0,0|2,0,0]=4 4649 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br 11a_100020591295_100000719032 [0,2,0,0,0,0|1,0,0]=3 4650 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br 1626a_100020591295_100000719032 [0,2,0,0,0,0|1,0,0]=3 4651 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br 240690a_100020591295_100000719032 [0,2,0,0,0,0|1,0,0]=3 4652 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1C 1626a_100020591295_100016266485 [0,2,0,0,0,0|1,0,0]=3 4653 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Cl 11a_100020591295_100000720304 [0,2,0,0,0,0|1,0,0]=3 4654 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Cl 1626a_100020591295_100000720304 [0,2,0,0,0,0|1,0,0]=3 4655 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Cl 240690a_100020591295_100000720304 [0,2,0,0,0,0|1,0,0]=3 4656 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1F 11a_100020591295_100016256065 [0,2,0,0,0,0|1,0,0]=3 4657 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1F 1626a_100020591295_100016256065 [0,2,0,0,0,0|1,0,0]=3 4658 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1F 240690a_100020591295_100016256065 [0,2,0,0,0,0|1,0,0]=3 4659 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@@H](F)CO 240690a_100015665980_100000719032 [0,2,0,0,0,0|2,0,0]=4 4660 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@H](O)CO 240690a_100020644852_100000719032 [0,2,0,0,0,0|2,0,0]=4 4661 B17R1.9042 O=C(C=Cc1ccccc1Cl)NC[C@@H](F)CO 240690a_100015665980_100000720304 [0,2,0,0,0,0|2,0,0]=4 4662 B17R1.9042 O=C(C=Cc1ccccc1Cl)NC[C@H](O)CO 240690a_100020644852_100000720304 [0,2,0,0,0,0|2,0,0]=4 4663 B17R1.9042 O=C(C=Cc1ccccc1F)NC[C@@H](F)CO 240690a_100015665980_100016256065 [0,2,0,0,0,0|2,0,0]=4 4664 B17R1.9042 O=C(C=Cc1ccccc1F)NC[C@H](O)CO 240690a_100020644852_100016256065 [0,2,0,0,0,0|2,0,0]=4 4665 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000210312 [0,2,0,0,0,0|1,0,0]=3 4666 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100000210476 [0,2,0,0,0,0|1,0,0]=3 4667 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000210312 [0,2,0,0,0,0|1,0,0]=3 4668 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100000210476 [0,2,0,0,0,0|1,0,0]=3 4669 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000210312 [0,2,0,0,0,0|1,0,0]=3 4670 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100000210476 [0,2,0,0,0,0|1,0,0]=3 4671 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100000210476 [0,2,0,0,0,0|1,0,0]=3 4672 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000210312 [0,2,0,0,0,0|1,0,0]=3 4673 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100000210476 [0,2,0,0,0,0|1,0,0]=3 4674 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100000210476 [0,2,0,0,0,0|1,0,0]=3 4675 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100000210476 [0,2,0,0,0,0|1,0,0]=3 4676 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100000210476 [0,2,0,0,0,0|1,0,0]=3 4677 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100000210476 [0,2,0,0,0,0|1,0,0]=3 4678 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100000210476 [0,2,0,0,0,0|1,0,0]=3 4679 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000210476 [0,2,0,0,0,0|1,0,0]=3 4680 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ncc1Br)I 6a_200135154921_100000210476 [0,2,0,0,0,0|2,0,0]=4 4681 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ncc1F)Br 6a_100000707870_100000210476 [0,2,0,0,0,0|2,0,0]=4 4682 B17R1.9099 CC(C)CCC(=O)C=Cc1cc(ncc1F)F 6a_100000731253_100000210476 [0,2,0,0,0,0|2,0,0]=4 4683 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1Br)F 11a_100000210953_100102525183 [0,2,0,0,0,0|1,0,0]=3 4684 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1Br)F 1626a_100000210953_100102525183 [0,2,0,0,0,0|1,0,0]=3 4685 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1Br)F 240690a_100000210953_100102525183 [0,2,0,0,0,0|1,0,0]=3 4686 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1Br)O 240690a_100000210953_200159324452 [0,2,0,0,0,0|1,0,0]=3 4687 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100000210953_100000234794 [0,2,0,0,0,0|1,0,0]=3 4688 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100000210953_100000234794 [0,2,0,0,0,0|1,0,0]=3 4689 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100000210953_100000234794 [0,2,0,0,0,0|1,0,0]=3 4690 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1F)Br 11a_100000210953_100000718207 [0,2,0,0,0,0|1,0,0]=3 4691 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1F)Br 1626a_100000210953_100000718207 [0,2,0,0,0,0|1,0,0]=3 4692 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1F)Br 240690a_100000210953_100000718207 [0,2,0,0,0,0|1,0,0]=3 4693 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1F)F 11a_100000210953_100000744626 [0,2,0,0,0,0|1,0,0]=3 4694 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1F)F 1626a_100000210953_100000744626 [0,2,0,0,0,0|1,0,0]=3 4695 B17R1.9099 CC(C)CNC(=O)C=Cc1cc(ccc1F)F 240690a_100000210953_100000744626 [0,2,0,0,0,0|1,0,0]=3 4696 B17R1.9099 CC(C)NNC(=O)C=Cc1cc(ccc1Br)F 22a_100000741168_100102525183 [0,2,0,0,0,0|2,0,0]=4 4697 B17R1.9099 CC(C)NNC(=O)C=Cc1cc(ccc1Br)O 22a_100000741168_200159324452 [0,2,0,0,0,0|2,0,0]=4 4698 B17R1.9099 CC(C)NNC(=O)C=Cc1cc(ccc1Cl)Cl 22a_100000741168_100000234794 [0,2,0,0,0,0|2,0,0]=4 4699 B17R1.9099 CC(C)NNC(=O)C=Cc1cc(ccc1F)Br 22a_100000741168_100000718207 [0,2,0,0,0,0|2,0,0]=4 4700 B17R1.9099 CC(C)NNC(=O)C=Cc1cc(ccc1F)F 22a_100000741168_100000744626 [0,2,0,0,0,0|2,0,0]=4 4701 B17R1.9099 CC(O)CCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100012276601 [0,2,0,0,0,0|2,0,0]=4 4702 B17R1.9099 CC(O)CCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100012276601 [0,2,0,0,0,0|2,0,0]=4 4703 B17R1.9099 CC(O)CCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100012276601 [0,2,0,0,0,0|2,0,0]=4 4704 B17R1.9099 CC(O)CCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100012276601 [0,2,0,0,0,0|2,0,0]=4 4705 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1Br)F 11a_100000210904_100102525183 [0,2,0,0,0,0|2,0,0]=4 4706 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1Br)F 240690a_100000210904_100102525183 [0,2,0,0,0,0|2,0,0]=4 4707 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1Br)O 240690a_100000210904_200159324452 [0,2,0,0,0,0|2,0,0]=4 4708 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100000210904_100000234794 [0,2,0,0,0,0|2,0,0]=4 4709 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100000210904_100000234794 [0,2,0,0,0,0|2,0,0]=4 4710 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1F)Br 11a_100000210904_100000718207 [0,2,0,0,0,0|2,0,0]=4 4711 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1F)Br 240690a_100000210904_100000718207 [0,2,0,0,0,0|2,0,0]=4 4712 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1F)F 11a_100000210904_100000744626 [0,2,0,0,0,0|2,0,0]=4 4713 B17R1.9099 CC(O)CNC(=O)C=Cc1cc(ccc1F)F 240690a_100000210904_100000744626 [0,2,0,0,0,0|2,0,0]=4 4714 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)CCC(C)C)F 1458a_100102526132_100000210312 [0,2,0,0,0,0|1,0,0]=3 4715 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)CCC(C)C)F 6a_100000756917_100000210476 [0,2,0,0,0,0|1,0,0]=3 4716 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)CCC(C)C)I 6a_100010150105_100000210476 [0,2,0,0,0,0|1,0,0]=3 4717 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)CCC(C)O)F 1458a_100102526132_100012276601 [0,2,0,0,0,0|2,0,0]=4 4718 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NCC(C)C)C 1626a_100000210953_200016256798 [0,2,0,0,0,0|1,0,0]=3 4719 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NCC(C)C)F 11a_100000210953_100102526132 [0,2,0,0,0,0|1,0,0]=3 4720 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NCC(C)C)F 1626a_100000210953_100102526132 [0,2,0,0,0,0|1,0,0]=3 4721 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NCC(C)C)F 240690a_100000210953_100102526132 [0,2,0,0,0,0|1,0,0]=3 4722 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NCC(C)O)F 11a_100000210904_100102526132 [0,2,0,0,0,0|2,0,0]=4 4723 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NCC(C)O)F 240690a_100000210904_100102526132 [0,2,0,0,0,0|2,0,0]=4 4724 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NNC(C)C)C 22a_100000741168_200016256798 [0,2,0,0,0,0|2,0,0]=4 4725 B17R1.9099 Cc1ccc(c(c1)C=CC(=O)NNC(C)C)F 22a_100000741168_100102526132 [0,2,0,0,0,0|2,0,0]=4 4726 B17R1.9099 Cc1ccc(cc1C=CC(=O)NCC(C)C)F 11a_100000210953_100102526137 [0,2,0,0,0,0|1,0,0]=3 4727 B17R1.9099 Cc1ccc(cc1C=CC(=O)NCC(C)C)F 1626a_100000210953_100102526137 [0,2,0,0,0,0|1,0,0]=3 4728 B17R1.9099 Cc1ccc(cc1C=CC(=O)NCC(C)O)F 11a_100000210904_100102526137 [0,2,0,0,0,0|2,0,0]=4 4729 B17R1.9099 Cc1ccc(cc1C=CC(=O)NNC(C)C)F 22a_100000741168_100102526137 [0,2,0,0,0,0|2,0,0]=4 4730 B17R1.11257 CC(C)(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000755188 [0,2,0,0,0,0|1,0,0]=3 4731 B17R1.11257 CC(C)(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000755188 [0,2,0,0,0,0|1,0,0]=3 4732 B17R1.11257 CC(C)(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000755188 [0,2,0,0,0,0|1,0,0]=3 4733 B17R1.11257 CC(C)(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000755188 [0,2,0,0,0,0|1,0,0]=3 4734 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Br 11a_100000743828_100000719032 [0,2,0,0,0,0|1,0,0]=3 4735 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000743828_100000719032 [0,2,0,0,0,0|1,0,0]=3 4736 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000743828_100000719032 [0,2,0,0,0,0|1,0,0]=3 4737 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000743828_100000720304 [0,2,0,0,0,0|1,0,0]=3 4738 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000743828_100000720304 [0,2,0,0,0,0|1,0,0]=3 4739 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000743828_100000720304 [0,2,0,0,0,0|1,0,0]=3 4740 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1F 11a_100000743828_100016256065 [0,2,0,0,0,0|1,0,0]=3 4741 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1F 1626a_100000743828_100016256065 [0,2,0,0,0,0|1,0,0]=3 4742 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1F 240690a_100000743828_100016256065 [0,2,0,0,0,0|1,0,0]=3 4743 B17R1.11257 CC(C)(C)COC(=O)CNc1ccccc1Br 34a_100000210017_200010402935 [0,2,0,0,0,0|1,0,1]=4 4744 B17R1.11257 CC(C)(C)COC(=O)CNc1ccccc1Cl 34a_100000185783_200010402935 [0,2,0,0,0,0|1,0,1]=4 4745 B17R1.11257 CC(C)(C)COC(=O)CNc1ccccc1F 34a_100000210422_200010402935 [0,2,0,0,0,0|1,0,1]=4 4746 B17R1.11257 CC(C)(C)COC(=O)CNc1ccccc1I 34a_100000210053_200010402935 [0,2,0,0,0,0|1,0,1]=4 4747 B17R1.11257 CC(C)(C)COC(=O)CNc1ccccc1O 34a_100000185747_200010402935 [0,2,0,0,0,0|1,0,1]=4 4748 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1Br 34a_100000181306_200010402935 [0,2,0,0,0,0|1,0,1]=4 4749 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1Br 7a_100000181306_200010402935 [0,2,0,0,0,0|1,0,1]=4 4750 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1Cl 34a_100000210172_200010402935 [0,2,0,0,0,0|1,0,1]=4 4751 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1Cl 7a_100000210172_200010402935 [0,2,0,0,0,0|1,0,1]=4 4752 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1F 34a_100000210171_200010402935 [0,2,0,0,0,0|1,0,1]=4 4753 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1F 7a_100000210171_200010402935 [0,2,0,0,0,0|1,0,1]=4 4754 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1I 34a_100000739446_200010402935 [0,2,0,0,0,0|1,0,1]=4 4755 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1I 7a_100000739446_200010402935 [0,2,0,0,0,0|1,0,1]=4 4756 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1N 34a_100000185747_200010402935 [0,2,0,0,0,0|1,0,1]=4 4757 B17R1.11257 CC(C)(C)COC(=O)COc1ccccc1N 7a_100000185747_200010402935 [0,2,0,0,0,0|1,0,1]=4 4758 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1Br 62a_100000695589_200010402935 [0,2,0,0,0,0|1,0,1]=4 4759 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1Br 62a_200010402935_100000695589 [0,2,0,0,0,0|1,0,1]=4 4760 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1Cl 62a_100000764095_200010402935 [0,2,0,0,0,0|1,0,1]=4 4761 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1Cl 62a_200010402935_100000764095 [0,2,0,0,0,0|1,0,1]=4 4762 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1F 62a_100011215700_200010402935 [0,2,0,0,0,0|1,0,1]=4 4763 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1F 62a_200010402935_100011215700 [0,2,0,0,0,0|1,0,1]=4 4764 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1N 62a_100000210017_200010402935 [0,2,0,0,0,0|1,0,1]=4 4765 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1N 62a_200010402935_100000210017 [0,2,0,0,0,0|1,0,1]=4 4766 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1O 62a_100000739446_200010402935 [0,2,0,0,0,0|1,0,1]=4 4767 B17R1.11257 CC(C)(C)COC(=O)CSc1ccccc1O 62a_200010402935_100000739446 [0,2,0,0,0,0|1,0,1]=4 4768 B17R1.11257 CC(C)(C)NNC(=O)C=Cc1ccccc1Br 22a_100000725372_100000719032 [0,2,0,0,0,0|2,0,0]=4 4769 B17R1.11257 CC(C)(C)NNC(=O)C=Cc1ccccc1Cl 22a_100000725372_100000720304 [0,2,0,0,0,0|2,0,0]=4 4770 B17R1.11257 CC(C)(C)NNC(=O)C=Cc1ccccc1F 22a_100000725372_100016256065 [0,2,0,0,0,0|2,0,0]=4 4771 B17R1.11257 CC(C)(C)NNC(=O)C=Cc1ccccc1O 22a_100000725372_100016263591 [0,2,0,0,0,0|2,0,0]=4 4772 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Br 11a_100020643315_100000719032 [0,2,0,0,0,0|1,0,0]=3 4773 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Br 1626a_100020643315_100000719032 [0,2,0,0,0,0|1,0,0]=3 4774 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Br 240690a_100020643315_100000719032 [0,2,0,0,0,0|1,0,0]=3 4775 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Cl 11a_100020643315_100000720304 [0,2,0,0,0,0|1,0,0]=3 4776 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Cl 1626a_100020643315_100000720304 [0,2,0,0,0,0|1,0,0]=3 4777 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Cl 240690a_100020643315_100000720304 [0,2,0,0,0,0|1,0,0]=3 4778 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1F 11a_100020643315_100016256065 [0,2,0,0,0,0|1,0,0]=3 4779 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1F 1626a_100020643315_100016256065 [0,2,0,0,0,0|1,0,0]=3 4780 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1F 240690a_100020643315_100016256065 [0,2,0,0,0,0|1,0,0]=3 4781 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1Br 1626a_100000751335_100000719032 [0,2,0,0,0,0|1,0,0]=3 4782 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1Br 240690a_100000751335_100000719032 [0,2,0,0,0,0|1,0,0]=3 4783 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1Cl 1626a_100000751335_100000720304 [0,2,0,0,0,0|1,0,0]=3 4784 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000751335_100000720304 [0,2,0,0,0,0|1,0,0]=3 4785 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1F 1626a_100000751335_100016256065 [0,2,0,0,0,0|1,0,0]=3 4786 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1F 240690a_100000751335_100016256065 [0,2,0,0,0,0|1,0,0]=3 4787 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Br 11a_100000731000_100000719032 [0,2,0,0,0,0|2,0,0]=4 4788 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Br 1626a_100000731000_100000719032 [0,2,0,0,0,0|2,0,0]=4 4789 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Br 240690a_100000731000_100000719032 [0,2,0,0,0,0|2,0,0]=4 4790 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Cl 11a_100000731000_100000720304 [0,2,0,0,0,0|2,0,0]=4 4791 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Cl 1626a_100000731000_100000720304 [0,2,0,0,0,0|2,0,0]=4 4792 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Cl 240690a_100000731000_100000720304 [0,2,0,0,0,0|2,0,0]=4 4793 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1F 11a_100000731000_100016256065 [0,2,0,0,0,0|2,0,0]=4 4794 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1F 1626a_100000731000_100016256065 [0,2,0,0,0,0|2,0,0]=4 4795 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1F 240690a_100000731000_100016256065 [0,2,0,0,0,0|2,0,0]=4 4796 B17R1.11257 C[N+](C)(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000085578 [0,2,0,0,0,0|2,0,0]=4 4797 B17R1.11257 C[N+](C)(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000085578 [0,2,0,0,0,0|2,0,0]=4 4798 B17R1.11257 C[N+](C)(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000085578 [0,2,0,0,0,0|2,0,0]=4 4799 B17R1.11257 C[N+](C)(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000085578 [0,2,0,0,0,0|2,0,0]=4 4800 B17R1.11257 C[Si](C)(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000733723 [0,2,0,0,0,0|1,1,0]=4 4801 B17R1.11257 C[Si](C)(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000733723 [0,2,0,0,0,0|1,1,0]=4 4802 B17R1.11257 C[Si](C)(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_200000733723 [0,2,0,0,0,0|1,1,0]=4 4803 B17R1.11257 C[Si](C)(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_200000733723 [0,2,0,0,0,0|1,1,0]=4 4804 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1Br 11a_102516607284_100000719032 [0,2,0,0,0,0|1,1,0]=4 4805 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1Br 1626a_102516607284_100000719032 [0,2,0,0,0,0|1,1,0]=4 4806 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1Br 240690a_102516607284_100000719032 [0,2,0,0,0,0|1,1,0]=4 4807 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1Cl 11a_102516607284_100000720304 [0,2,0,0,0,0|1,1,0]=4 4808 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1Cl 1626a_102516607284_100000720304 [0,2,0,0,0,0|1,1,0]=4 4809 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1Cl 240690a_102516607284_100000720304 [0,2,0,0,0,0|1,1,0]=4 4810 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1F 11a_102516607284_100016256065 [0,2,0,0,0,0|1,1,0]=4 4811 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1F 1626a_102516607284_100016256065 [0,2,0,0,0,0|1,1,0]=4 4812 B17R1.11257 C[Si](C)(C)CNC(=O)C=Cc1ccccc1F 240690a_102516607284_100016256065 [0,2,0,0,0,0|1,1,0]=4 4813 B17R1.11257 Cc1ccccc1C=CC(=O)NCC(C)(C)C 1626a_100000743828_100016266485 [0,2,0,0,0,0|1,0,0]=3 4814 B17R1.11257 Cc1ccccc1C=CC(=O)NCC(C)(C)F 1626a_100020643315_100016266485 [0,2,0,0,0,0|1,0,0]=3 4815 B17R1.11257 Cc1ccccc1C=CC(=O)NCC(C)(C)O 1626a_100000751335_100016266485 [0,2,0,0,0,0|1,0,0]=3 4816 B17R1.11257 Cc1ccccc1C=CC(=O)NCC(C)(F)F 1626a_100000731000_100016266485 [0,2,0,0,0,0|2,0,0]=4 4817 B17R1.11257 Cc1ccccc1C=CC(=O)NC[Si](C)(C)C 1626a_102516607284_100016266485 [0,2,0,0,0,0|1,1,0]=4 4818 B17R1.11257 Cc1ccccc1C=CC(=O)NNC(C)(C)C 22a_100000725372_100016266485 [0,2,0,0,0,0|2,0,0]=4 4819 B17R1.11257 Cc1ccccc1NCC(=O)OCC(C)(C)C 34a_100015192222_200010402935 [0,2,0,0,0,0|1,0,1]=4 4820 B17R1.11257 Cc1ccccc1OCC(=O)OCC(C)(C)C 34a_100000210338_200010402935 [0,2,0,0,0,0|1,0,1]=4 4821 B17R1.11257 Cc1ccccc1OCC(=O)OCC(C)(C)C 7a_100000210338_200010402935 [0,2,0,0,0,0|1,0,1]=4 4822 B17R1.11257 Cc1ccccc1SCC(=O)OCC(C)(C)C 62a_100000210755_200010402935 [0,2,0,0,0,0|1,0,1]=4 4823 B17R1.11257 Cc1ccccc1SCC(=O)OCC(C)(C)C 62a_200010402935_100000210755 [0,2,0,0,0,0|1,0,1]=4 4824 B17R1.14342 CC(C)CCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000210312 [0,2,0,0,0,0|1,0,0]=3 4825 B17R1.14342 CC(C)CCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000210312 [0,2,0,0,0,0|1,0,0]=3 4826 B17R1.14342 CC(C)CCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000210312 [0,2,0,0,0,0|1,0,0]=3 4827 B17R1.14342 CC(C)CCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000210312 [0,2,0,0,0,0|1,0,0]=3 4828 B17R1.14342 CC(C)CCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100000210476 [0,2,0,0,0,0|1,0,0]=3 4829 B17R1.14342 CC(C)CCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100000210476 [0,2,0,0,0,0|1,0,0]=3 4830 B17R1.14342 CC(C)CCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100000210476 [0,2,0,0,0,0|1,0,0]=3 4831 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100000210953_100000184505 [0,2,0,0,0,0|1,0,0]=3 4832 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100000210953_100000184505 [0,2,0,0,0,0|1,0,0]=3 4833 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100000210953_100000184505 [0,2,0,0,0,0|1,0,0]=3 4834 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)Br 11a_100000210953_100012351547 [0,2,0,0,0,0|1,0,0]=3 4835 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)Br 1626a_100000210953_100012351547 [0,2,0,0,0,0|1,0,0]=3 4836 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)Br 240690a_100000210953_100012351547 [0,2,0,0,0,0|1,0,0]=3 4837 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)Cl 11a_100000210953_100011217667 [0,2,0,0,0,0|1,0,0]=3 4838 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)Cl 1626a_100000210953_100011217667 [0,2,0,0,0,0|1,0,0]=3 4839 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)Cl 240690a_100000210953_100011217667 [0,2,0,0,0,0|1,0,0]=3 4840 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)F 11a_100000210953_100102526107 [0,2,0,0,0,0|1,0,0]=3 4841 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)F 1626a_100000210953_100102526107 [0,2,0,0,0,0|1,0,0]=3 4842 B17R1.14342 CC(C)CNC(=O)C=Cc1cccc(c1F)F 240690a_100000210953_100102526107 [0,2,0,0,0,0|1,0,0]=3 4843 B17R1.14342 CC(C)NNC(=O)C=Cc1cccc(c1Cl)Cl 22a_100000741168_100000184505 [0,2,0,0,0,0|2,0,0]=4 4844 B17R1.14342 CC(C)NNC(=O)C=Cc1cccc(c1F)Br 22a_100000741168_100012351547 [0,2,0,0,0,0|2,0,0]=4 4845 B17R1.14342 CC(C)NNC(=O)C=Cc1cccc(c1F)Cl 22a_100000741168_100011217667 [0,2,0,0,0,0|2,0,0]=4 4846 B17R1.14342 CC(C)NNC(=O)C=Cc1cccc(c1F)F 22a_100000741168_100102526107 [0,2,0,0,0,0|2,0,0]=4 4847 B17R1.14342 CC(O)CCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100012276601 [0,2,0,0,0,0|2,0,0]=4 4848 B17R1.14342 CC(O)CCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100012276601 [0,2,0,0,0,0|2,0,0]=4 4849 B17R1.14342 CC(O)CCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100012276601 [0,2,0,0,0,0|2,0,0]=4 4850 B17R1.14342 CC(O)CCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100012276601 [0,2,0,0,0,0|2,0,0]=4 4851 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100000210904_100000184505 [0,2,0,0,0,0|2,0,0]=4 4852 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100000210904_100000184505 [0,2,0,0,0,0|2,0,0]=4 4853 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1F)Br 11a_100000210904_100012351547 [0,2,0,0,0,0|2,0,0]=4 4854 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1F)Br 240690a_100000210904_100012351547 [0,2,0,0,0,0|2,0,0]=4 4855 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1F)Cl 11a_100000210904_100011217667 [0,2,0,0,0,0|2,0,0]=4 4856 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1F)Cl 240690a_100000210904_100011217667 [0,2,0,0,0,0|2,0,0]=4 4857 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1F)F 11a_100000210904_100102526107 [0,2,0,0,0,0|2,0,0]=4 4858 B17R1.14342 CC(O)CNC(=O)C=Cc1cccc(c1F)F 240690a_100000210904_100102526107 [0,2,0,0,0,0|2,0,0]=4 4859 B17R1.14342 Cc1c(cccc1C=CC(=O)CCC(C)C)F 1458a_100102526135_100000210312 [0,2,0,0,0,0|1,0,0]=3 4860 B17R1.14342 Cc1c(cccc1C=CC(=O)CCC(C)O)F 1458a_100102526135_100012276601 [0,2,0,0,0,0|2,0,0]=4 4861 B17R1.14342 Cc1c(cccc1C=CC(=O)NCC(C)C)F 11a_100000210953_100102526135 [0,2,0,0,0,0|1,0,0]=3 4862 B17R1.14342 Cc1c(cccc1C=CC(=O)NCC(C)C)F 1626a_100000210953_100102526135 [0,2,0,0,0,0|1,0,0]=3 4863 B17R1.14342 Cc1c(cccc1C=CC(=O)NCC(C)C)F 240690a_100000210953_100102526135 [0,2,0,0,0,0|1,0,0]=3 4864 B17R1.14342 Cc1c(cccc1C=CC(=O)NCC(C)O)F 11a_100000210904_100102526135 [0,2,0,0,0,0|2,0,0]=4 4865 B17R1.14342 Cc1c(cccc1C=CC(=O)NCC(C)O)F 240690a_100000210904_100102526135 [0,2,0,0,0,0|2,0,0]=4 4866 B17R1.14342 Cc1c(cccc1C=CC(=O)NNC(C)C)F 22a_100000741168_100102526135 [0,2,0,0,0,0|2,0,0]=4 4867 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000210312 [0,2,0,0,0,0|1,0,0]=3 4868 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000210312 [0,2,0,0,0,0|1,0,0]=3 4869 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000210312 [0,2,0,0,0,0|1,0,0]=3 4870 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100000210476 [0,2,0,0,0,0|1,0,0]=3 4871 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cncc1Br)Cl 6a_100010064873_100000210476 [0,2,0,0,0,0|2,0,0]=4 4872 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cncc1Br)F 6a_100010064882_100000210476 [0,2,0,0,0,0|2,0,0]=4 4873 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cncc1Cl)Cl 6a_100000067493_100000210476 [0,2,0,0,0,0|2,0,0]=4 4874 B17R1.14420 CC(C)CCC(=O)C=Cc1c(cncc1F)F 6a_100000068831_100000210476 [0,2,0,0,0,0|2,0,0]=4 4875 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100000210953_100000185082 [0,2,0,0,0,0|1,0,0]=3 4876 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100000210953_100000185082 [0,2,0,0,0,0|1,0,0]=3 4877 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100000210953_100000185082 [0,2,0,0,0,0|1,0,0]=3 4878 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1Cl)F 11a_100000210953_100016278423 [0,2,0,0,0,0|1,0,0]=3 4879 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1Cl)F 1626a_100000210953_100016278423 [0,2,0,0,0,0|1,0,0]=3 4880 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1Cl)F 240690a_100000210953_100016278423 [0,2,0,0,0,0|1,0,0]=3 4881 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1F)F 11a_100000210953_100000738813 [0,2,0,0,0,0|1,0,0]=3 4882 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1F)F 1626a_100000210953_100000738813 [0,2,0,0,0,0|1,0,0]=3 4883 B17R1.14420 CC(C)CNC(=O)C=Cc1c(cccc1F)F 240690a_100000210953_100000738813 [0,2,0,0,0,0|1,0,0]=3 4884 B17R1.14420 CC(C)NNC(=O)C=Cc1c(cccc1Cl)Cl 22a_100000741168_100000185082 [0,2,0,0,0,0|2,0,0]=4 4885 B17R1.14420 CC(C)NNC(=O)C=Cc1c(cccc1Cl)F 22a_100000741168_100016278423 [0,2,0,0,0,0|2,0,0]=4 4886 B17R1.14420 CC(C)NNC(=O)C=Cc1c(cccc1F)F 22a_100000741168_100000738813 [0,2,0,0,0,0|2,0,0]=4 4887 B17R1.14420 CC(O)CCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100012276601 [0,2,0,0,0,0|2,0,0]=4 4888 B17R1.14420 CC(O)CCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100012276601 [0,2,0,0,0,0|2,0,0]=4 4889 B17R1.14420 CC(O)CCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100012276601 [0,2,0,0,0,0|2,0,0]=4 4890 B17R1.14420 CC(O)CNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100000210904_100000185082 [0,2,0,0,0,0|2,0,0]=4 4891 B17R1.14420 CC(O)CNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100000210904_100000185082 [0,2,0,0,0,0|2,0,0]=4 4892 B17R1.14420 CC(O)CNC(=O)C=Cc1c(cccc1Cl)F 11a_100000210904_100016278423 [0,2,0,0,0,0|2,0,0]=4 4893 B17R1.14420 CC(O)CNC(=O)C=Cc1c(cccc1Cl)F 240690a_100000210904_100016278423 [0,2,0,0,0,0|2,0,0]=4 4894 B17R1.14420 CC(O)CNC(=O)C=Cc1c(cccc1F)F 11a_100000210904_100000738813 [0,2,0,0,0,0|2,0,0]=4 4895 B17R1.14420 CC(O)CNC(=O)C=Cc1c(cccc1F)F 240690a_100000210904_100000738813 [0,2,0,0,0,0|2,0,0]=4 4896 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210312 [0,2,0,0,0,0|1,0,0]=3 4897 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000210476 [0,2,0,0,0,0|1,0,0]=3 4898 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210312 [0,2,0,0,0,0|1,0,0]=3 4899 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210312 [0,2,0,0,0,0|1,0,0]=3 4900 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210312 [0,2,0,0,0,0|1,0,0]=3 4901 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000210476 [0,2,0,0,0,0|1,0,0]=3 4902 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210312 [0,2,0,0,0,0|1,0,0]=3 4903 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000210476 [0,2,0,0,0,0|1,0,0]=3 4904 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210312 [0,2,0,0,0,0|1,0,0]=3 4905 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210312 [0,2,0,0,0,0|1,0,0]=3 4906 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000210476 [0,2,0,0,0,0|1,0,0]=3 4907 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000210476 [0,2,0,0,0,0|1,0,0]=3 4908 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000210476 [0,2,0,0,0,0|1,0,0]=3 4909 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000210476 [0,2,0,0,0,0|1,0,0]=3 4910 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000210476 [0,2,0,0,0,0|1,0,0]=3 4911 B17R1.14600 CC(C)CCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000210476 [0,2,0,0,0,0|1,0,0]=3 4912 B17R1.14600 CC(C)CCC(=O)C=Cc1ncc(cc1Br)Br 6a_100000688198_100000210476 [0,2,0,0,0,0|2,0,0]=4 4913 B17R1.14600 CC(C)CCC(=O)C=Cc1ncc(cc1Br)Cl 6a_100010064872_100000210476 [0,2,0,0,0,0|2,0,0]=4 4914 B17R1.14600 CC(C)CCC(=O)C=Cc1ncc(cc1Cl)Br 6a_100009814801_100000210476 [0,2,0,0,0,0|2,0,0]=4 4915 B17R1.14600 CC(C)CCC(=O)C=Cc1ncc(cc1Cl)Cl 6a_100011361609_100000210476 [0,2,0,0,0,0|2,0,0]=4 4916 B17R1.14600 CC(C)CCC(=O)C=Cc1ncc(cc1F)Br 6a_100010180630_100000210476 [0,2,0,0,0,0|2,0,0]=4 4917 B17R1.14600 CC(C)CCC(=O)C=Cc1ncc(cc1F)Cl 6a_100009858488_100000210476 [0,2,0,0,0,0|2,0,0]=4 4918 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Br)F 11a_100000210953_200102591336 [0,2,0,0,0,0|1,0,0]=3 4919 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Br)F 1626a_100000210953_200102591336 [0,2,0,0,0,0|1,0,0]=3 4920 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Br)F 240690a_100000210953_200102591336 [0,2,0,0,0,0|1,0,0]=3 4921 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100000210953_100102525105 [0,2,0,0,0,0|1,0,0]=3 4922 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100000210953_100102525105 [0,2,0,0,0,0|1,0,0]=3 4923 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100000210953_100102525105 [0,2,0,0,0,0|1,0,0]=3 4924 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100000210953_100016270030 [0,2,0,0,0,0|1,0,0]=3 4925 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100000210953_100016270030 [0,2,0,0,0,0|1,0,0]=3 4926 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100000210953_100016270030 [0,2,0,0,0,0|1,0,0]=3 4927 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)F 11a_100000210953_200102525072 [0,2,0,0,0,0|1,0,0]=3 4928 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100000210953_200102525072 [0,2,0,0,0,0|1,0,0]=3 4929 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100000210953_200102525072 [0,2,0,0,0,0|1,0,0]=3 4930 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Br 11a_100000210953_100011214948 [0,2,0,0,0,0|1,0,0]=3 4931 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Br 1626a_100000210953_100011214948 [0,2,0,0,0,0|1,0,0]=3 4932 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Br 240690a_100000210953_100011214948 [0,2,0,0,0,0|1,0,0]=3 4933 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Cl 11a_100000210953_100102561868 [0,2,0,0,0,0|1,0,0]=3 4934 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100000210953_100102561868 [0,2,0,0,0,0|1,0,0]=3 4935 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100000210953_100102561868 [0,2,0,0,0,0|1,0,0]=3 4936 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)F 11a_100000210953_100011195072 [0,2,0,0,0,0|1,0,0]=3 4937 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)F 1626a_100000210953_100011195072 [0,2,0,0,0,0|1,0,0]=3 4938 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)F 240690a_100000210953_100011195072 [0,2,0,0,0,0|1,0,0]=3 4939 B17R1.14600 CC(C)NNC(=O)C=Cc1ccc(cc1Br)F 22a_100000741168_200102591336 [0,2,0,0,0,0|2,0,0]=4 4940 B17R1.14600 CC(C)NNC(=O)C=Cc1ccc(cc1Cl)Br 22a_100000741168_100102525105 [0,2,0,0,0,0|2,0,0]=4 4941 B17R1.14600 CC(C)NNC(=O)C=Cc1ccc(cc1Cl)Cl 22a_100000741168_100016270030 [0,2,0,0,0,0|2,0,0]=4 4942 B17R1.14600 CC(C)NNC(=O)C=Cc1ccc(cc1Cl)F 22a_100000741168_200102525072 [0,2,0,0,0,0|2,0,0]=4 4943 B17R1.14600 CC(C)NNC(=O)C=Cc1ccc(cc1F)Br 22a_100000741168_100011214948 [0,2,0,0,0,0|2,0,0]=4 4944 B17R1.14600 CC(C)NNC(=O)C=Cc1ccc(cc1F)Cl 22a_100000741168_100102561868 [0,2,0,0,0,0|2,0,0]=4 4945 B17R1.14600 CC(C)NNC(=O)C=Cc1ccc(cc1F)F 22a_100000741168_100011195072 [0,2,0,0,0,0|2,0,0]=4 4946 B17R1.14600 CC(O)CCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100012276601 [0,2,0,0,0,0|2,0,0]=4 4947 B17R1.14600 CC(O)CCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100012276601 [0,2,0,0,0,0|2,0,0]=4 4948 B17R1.14600 CC(O)CCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100012276601 [0,2,0,0,0,0|2,0,0]=4 4949 B17R1.14600 CC(O)CCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100012276601 [0,2,0,0,0,0|2,0,0]=4 4950 B17R1.14600 CC(O)CCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100012276601 [0,2,0,0,0,0|2,0,0]=4 4951 B17R1.14600 CC(O)CCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100012276601 [0,2,0,0,0,0|2,0,0]=4 4952 B17R1.14600 CC(O)CCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100012276601 [0,2,0,0,0,0|2,0,0]=4 4953 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Br)F 11a_100000210904_200102591336 [0,2,0,0,0,0|2,0,0]=4 4954 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Br)F 240690a_100000210904_200102591336 [0,2,0,0,0,0|2,0,0]=4 4955 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100000210904_100102525105 [0,2,0,0,0,0|2,0,0]=4 4956 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100000210904_100102525105 [0,2,0,0,0,0|2,0,0]=4 4957 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100000210904_100016270030 [0,2,0,0,0,0|2,0,0]=4 4958 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100000210904_100016270030 [0,2,0,0,0,0|2,0,0]=4 4959 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)F 11a_100000210904_200102525072 [0,2,0,0,0,0|2,0,0]=4 4960 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100000210904_200102525072 [0,2,0,0,0,0|2,0,0]=4 4961 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)Br 11a_100000210904_100011214948 [0,2,0,0,0,0|2,0,0]=4 4962 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)Br 240690a_100000210904_100011214948 [0,2,0,0,0,0|2,0,0]=4 4963 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)Cl 11a_100000210904_100102561868 [0,2,0,0,0,0|2,0,0]=4 4964 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100000210904_100102561868 [0,2,0,0,0,0|2,0,0]=4 4965 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)F 11a_100000210904_100011195072 [0,2,0,0,0,0|2,0,0]=4 4966 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)F 240690a_100000210904_100011195072 [0,2,0,0,0,0|2,0,0]=4 4967 B17R1.14600 Cc1cc(ccc1C=CC(=O)NCC(C)C)F 11a_100000210953_100016280397 [0,2,0,0,0,0|1,0,0]=3 4968 B17R1.14600 Cc1cc(ccc1C=CC(=O)NCC(C)C)F 1626a_100000210953_100016280397 [0,2,0,0,0,0|1,0,0]=3 4969 B17R1.14600 Cc1cc(ccc1C=CC(=O)NCC(C)O)F 11a_100000210904_100016280397 [0,2,0,0,0,0|2,0,0]=4 4970 B17R1.14600 Cc1cc(ccc1C=CC(=O)NNC(C)C)F 22a_100000741168_100016280397 [0,2,0,0,0,0|2,0,0]=4 4971 B17R1.14600 Cc1cc(ccc1C=CC(=O)NNC(C)C)O 22a_100000741168_200132309679 [0,2,0,0,0,0|2,0,0]=4 4972 B17R1.14600 Cc1cc(cnc1C=CC(=O)CCC(C)C)Br 6a_100010185443_100000210476 [0,2,0,0,0,0|2,0,0]=4 4973 B17R1.14600 Cc1cc(cnc1C=CC(=O)CCC(C)C)Cl 6a_200009887756_100000210476 [0,2,0,0,0,0|2,0,0]=4 4974 B17R1.14600 Cc1ccc(c(c1)C)C=CC(=O)NCC(C)C 11a_100000210953_100000238256 [0,2,0,0,0,0|1,0,0]=3 4975 B17R1.14600 Cc1ccc(c(c1)C)C=CC(=O)NCC(C)C 1626a_100000210953_100000238256 [0,2,0,0,0,0|1,0,0]=3 4976 B17R1.14600 Cc1ccc(c(c1)C)C=CC(=O)NCC(C)O 11a_100000210904_100000238256 [0,2,0,0,0,0|2,0,0]=4 4977 B17R1.14600 Cc1ccc(c(c1)C)C=CC(=O)NNC(C)C 22a_100000741168_100000238256 [0,2,0,0,0,0|2,0,0]=4 4978 B17R1.14600 Cc1ccc(c(c1)F)C=CC(=O)CCC(C)C 6a_100011217368_100000210476 [0,2,0,0,0,0|1,0,0]=3 4979 B17R1.14600 Cc1ccc(c(c1)I)C=CC(=O)CCC(C)C 6a_100010150104_100000210476 [0,2,0,0,0,0|1,0,0]=3 4980 B17R1.14600 Cc1cnc(c(c1)F)C=CC(=O)CCC(C)C 6a_100009845184_100000210476 [0,2,0,0,0,0|2,0,0]=4 4981 B17R1.192 CC(C)CCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000210312 [0,2,0,0,0,0|1,0,0]=3 4982 B17R1.192 CC(C)CNC(=O)C=Cc1ccc(cc1)C#N 11a_100000210953_100000185084 [0,2,0,0,0,0|1,0,0]=3 4983 B17R1.192 CC(C)CNC(=O)C=Cc1ccc(cc1)C#N 1626a_100000210953_100000185084 [0,2,0,0,0,0|1,0,0]=3 4984 B17R1.192 CC(C)CNC(=O)C=Cc1ccc(cc1)C#N 240690a_100000210953_100000185084 [0,2,0,0,0,0|1,0,0]=3 4985 B17R1.192 CC(C)NNC(=O)C=Cc1ccc(cc1)C#N 22a_100000741168_100000185084 [0,2,0,0,0,0|2,0,0]=4 4986 B17R1.192 CC(O)CCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100012276601 [0,2,0,0,0,0|2,0,0]=4 4987 B17R1.192 CC(O)CNC(=O)C=Cc1ccc(cc1)C#N 11a_100000210904_100000185084 [0,2,0,0,0,0|2,0,0]=4 4988 B17R1.192 CC(O)CNC(=O)C=Cc1ccc(cc1)C#N 240690a_100000210904_100000185084 [0,2,0,0,0,0|2,0,0]=4 4989 B17R1.192 CCc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100000187855_100000210312 [0,2,0,0,0,0|1,0,0]=3 4990 B17R1.192 CCc1ccc(cc1)C=CC(=O)CCC(C)O 1458a_100000187855_100012276601 [0,2,0,0,0,0|2,0,0]=4 4991 B17R1.192 CCc1ccc(cc1)C=CC(=O)NCC(C)C 11a_100000210953_100000187855 [0,2,0,0,0,0|1,0,0]=3 4992 B17R1.192 CCc1ccc(cc1)C=CC(=O)NCC(C)C 1626a_100000210953_100000187855 [0,2,0,0,0,0|1,0,0]=3 4993 B17R1.192 CCc1ccc(cc1)C=CC(=O)NCC(C)C 240690a_100000210953_100000187855 [0,2,0,0,0,0|1,0,0]=3 4994 B17R1.192 CCc1ccc(cc1)C=CC(=O)NCC(C)O 11a_100000210904_100000187855 [0,2,0,0,0,0|2,0,0]=4 4995 B17R1.192 CCc1ccc(cc1)C=CC(=O)NCC(C)O 240690a_100000210904_100000187855 [0,2,0,0,0,0|2,0,0]=4 4996 B17R1.192 CCc1ccc(cc1)C=CC(=O)NNC(C)C 22a_100000741168_100000187855 [0,2,0,0,0,0|2,0,0]=4 4997 B17R1.192 COc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100000184205_100000210312 [0,2,0,0,0,0|1,0,0]=3 4998 B17R1.192 COc1ccc(cc1)C=CC(=O)CCC(C)O 1458a_100000184205_100012276601 [0,2,0,0,0,0|2,0,0]=4 4999 B17R1.192 COc1ccc(cc1)C=CC(=O)NCC(C)C 11a_100000210953_100000184205 [0,2,0,0,0,0|1,0,0]=3 5000 B17R1.192 COc1ccc(cc1)C=CC(=O)NCC(C)C 1626a_100000210953_100000184205 [0,2,0,0,0,0|1,0,0]=3 5001 B17R1.192 COc1ccc(cc1)C=CC(=O)NCC(C)C 527a_100000210953_100000184205 [0,2,0,0,0,0|1,0,0]=3 5002 B17R1.192 COc1ccc(cc1)C=CC(=O)NCC(C)O 11a_100000210904_100000184205 [0,2,0,0,0,0|2,0,0]=4 5003 B17R1.192 COc1ccc(cc1)C=CC(=O)NCC(C)O 527a_100000210904_100000184205 [0,2,0,0,0,0|2,0,0]=4 5004 B17R1.192 COc1ccc(cc1)C=CC(=O)NNC(C)C 22a_100000741168_100000184205 [0,2,0,0,0,0|2,0,0]=4 5005 B17R1.192 CSc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100102526083_100000210312 [0,2,0,0,0,0|1,0,0]=3 5006 B17R1.192 CSc1ccc(cc1)C=CC(=O)CCC(C)O 1458a_100102526083_100012276601 [0,2,0,0,0,0|2,0,0]=4 5007 B17R1.192 CSc1ccc(cc1)C=CC(=O)NCC(C)C 11a_100000210953_100102526083 [0,2,0,0,0,0|1,0,0]=3 5008 B17R1.192 CSc1ccc(cc1)C=CC(=O)NCC(C)C 1626a_100000210953_100102526083 [0,2,0,0,0,0|1,0,0]=3 5009 B17R1.192 CSc1ccc(cc1)C=CC(=O)NCC(C)C 240690a_100000210953_100102526083 [0,2,0,0,0,0|1,0,0]=3 5010 B17R1.192 CSc1ccc(cc1)C=CC(=O)NCC(C)O 11a_100000210904_100102526083 [0,2,0,0,0,0|2,0,0]=4 5011 B17R1.192 CSc1ccc(cc1)C=CC(=O)NCC(C)O 240690a_100000210904_100102526083 [0,2,0,0,0,0|2,0,0]=4 5012 B17R1.192 CSc1ccc(cc1)C=CC(=O)NNC(C)C 22a_100000741168_100102526083 [0,2,0,0,0,0|2,0,0]=4 5013 B17R1.1060 CC(C)CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000181311_100000188085 [0,2,0,0,0,0|1,0,1]=4 5014 B17R1.1060 CC(C)CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000181311_100000211071 [0,2,0,0,0,0|1,0,1]=4 5015 B17R1.1060 CC(C)CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000181311_100000211279 [0,2,0,0,0,0|1,0,1]=4 5016 B17R1.1060 CC(C)CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000181311_100011216261 [0,2,0,0,0,0|1,0,1]=4 5017 B17R1.1060 CC(C)CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000181311_100009814261 [0,2,0,0,0,0|1,0,1]=4 5018 B17R1.1060 CC(C)CNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183291 [0,2,0,0,0,0|1,0,1]=4 5019 B17R1.1060 CC(C)CNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183291 [0,2,0,0,0,0|1,0,1]=4 5020 B17R1.1060 CC(C)CNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183291 [0,2,0,0,0,0|1,0,1]=4 5021 B17R1.1060 CC(C)CNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183291 [0,2,0,0,0,0|1,0,1]=4 5022 B17R1.1060 CC(C)CNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183291 [0,2,0,0,0,0|1,0,1]=4 5023 B17R1.1060 Cc1ccc(cc1)C(=O)CC(=O)CCC(C)C 1458a_100000181311_100000211441 [0,2,0,0,0,0|1,0,1]=4 5024 B17R1.1060 Cc1ccc(cc1)C(=O)CC(=O)NCC(C)C 1458a_100000188618_100000183291 [0,2,0,0,0,0|1,0,1]=4 5025 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000210312 [0,2,0,0,0,0|1,0,0]=3 5026 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000210476 [0,2,0,0,0,0|1,0,0]=3 5027 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000210312 [0,2,0,0,0,0|1,0,0]=3 5028 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000210476 [0,2,0,0,0,0|1,0,0]=3 5029 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210312 [0,2,0,0,0,0|1,0,0]=3 5030 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000210312 [0,2,0,0,0,0|1,0,0]=3 5031 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000210476 [0,2,0,0,0,0|1,0,0]=3 5032 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000210312 [0,2,0,0,0,0|1,0,0]=3 5033 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000210476 [0,2,0,0,0,0|1,0,0]=3 5034 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210312 [0,2,0,0,0,0|1,0,0]=3 5035 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000210476 [0,2,0,0,0,0|1,0,0]=3 5036 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000210312 [0,2,0,0,0,0|1,0,0]=3 5037 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000210476 [0,2,0,0,0,0|1,0,0]=3 5038 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000210312 [0,2,0,0,0,0|1,0,0]=3 5039 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000210476 [0,2,0,0,0,0|1,0,0]=3 5040 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000210312 [0,2,0,0,0,0|1,0,0]=3 5041 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000210476 [0,2,0,0,0,0|1,0,0]=3 5042 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000210476 [0,2,0,0,0,0|1,0,0]=3 5043 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000210476 [0,2,0,0,0,0|1,0,0]=3 5044 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000210476 [0,2,0,0,0,0|1,0,0]=3 5045 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000210476 [0,2,0,0,0,0|1,0,0]=3 5046 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000210476 [0,2,0,0,0,0|1,0,0]=3 5047 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000210476 [0,2,0,0,0,0|1,0,0]=3 5048 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000210476 [0,2,0,0,0,0|1,0,0]=3 5049 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000210476 [0,2,0,0,0,0|1,0,0]=3 5050 B17R1.1062 CC(C)CCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000210476 [0,2,0,0,0,0|1,0,0]=3 5051 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100000210953_100102889548 [0,2,0,0,0,0|1,0,0]=3 5052 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100000210953_100102889548 [0,2,0,0,0,0|1,0,0]=3 5053 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100000210953_100102889548 [0,2,0,0,0,0|1,0,0]=3 5054 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100000210953_100011195070 [0,2,0,0,0,0|1,0,0]=3 5055 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100000210953_100011195070 [0,2,0,0,0,0|1,0,0]=3 5056 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100000210953_100011195070 [0,2,0,0,0,0|1,0,0]=3 5057 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000210953_200103079279 [0,2,0,0,0,0|1,0,0]=3 5058 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100000210953_100000716972 [0,2,0,0,0,0|1,0,0]=3 5059 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100000210953_100000716972 [0,2,0,0,0,0|1,0,0]=3 5060 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100000210953_100000716972 [0,2,0,0,0,0|1,0,0]=3 5061 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100000210953_100102525453 [0,2,0,0,0,0|1,0,0]=3 5062 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100000210953_100102525453 [0,2,0,0,0,0|1,0,0]=3 5063 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100000210953_100102525453 [0,2,0,0,0,0|1,0,0]=3 5064 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000210953_200103117615 [0,2,0,0,0,0|1,0,0]=3 5065 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100000210953_100102601611 [0,2,0,0,0,0|1,0,0]=3 5066 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100000210953_100102601611 [0,2,0,0,0,0|1,0,0]=3 5067 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100000210953_100102601611 [0,2,0,0,0,0|1,0,0]=3 5068 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100000210953_100020610926 [0,2,0,0,0,0|1,0,0]=3 5069 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100000210953_100020610926 [0,2,0,0,0,0|1,0,0]=3 5070 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100000210953_100020610926 [0,2,0,0,0,0|1,0,0]=3 5071 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)F 11a_100000210953_100011195075 [0,2,0,0,0,0|1,0,0]=3 5072 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100000210953_100011195075 [0,2,0,0,0,0|1,0,0]=3 5073 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100000210953_100011195075 [0,2,0,0,0,0|1,0,0]=3 5074 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000210953_100011195073 [0,2,0,0,0,0|1,0,0]=3 5075 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)Br)Cl 22a_100000741168_100102889548 [0,2,0,0,0,0|2,0,0]=4 5076 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)Br)F 22a_100000741168_100011195070 [0,2,0,0,0,0|2,0,0]=4 5077 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)Br)O 22a_100000741168_200103079279 [0,2,0,0,0,0|2,0,0]=4 5078 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)Cl)Cl 22a_100000741168_100000716972 [0,2,0,0,0,0|2,0,0]=4 5079 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)Cl)F 22a_100000741168_100102525453 [0,2,0,0,0,0|2,0,0]=4 5080 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)Cl)O 22a_100000741168_200103117615 [0,2,0,0,0,0|2,0,0]=4 5081 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)F)Br 22a_100000741168_100102601611 [0,2,0,0,0,0|2,0,0]=4 5082 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)F)Cl 22a_100000741168_100020610926 [0,2,0,0,0,0|2,0,0]=4 5083 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)F)F 22a_100000741168_100011195075 [0,2,0,0,0,0|2,0,0]=4 5084 B17R1.1062 CC(C)NNC(=O)C=Cc1ccc(c(c1)O)O 22a_100000741168_100011195073 [0,2,0,0,0,0|2,0,0]=4 5085 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100012276601 [0,2,0,0,0,0|2,0,0]=4 5086 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100012276601 [0,2,0,0,0,0|2,0,0]=4 5087 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100012276601 [0,2,0,0,0,0|2,0,0]=4 5088 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100012276601 [0,2,0,0,0,0|2,0,0]=4 5089 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100012276601 [0,2,0,0,0,0|2,0,0]=4 5090 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100012276601 [0,2,0,0,0,0|2,0,0]=4 5091 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100012276601 [0,2,0,0,0,0|2,0,0]=4 5092 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100012276601 [0,2,0,0,0,0|2,0,0]=4 5093 B17R1.1062 CC(O)CCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100012276601 [0,2,0,0,0,0|2,0,0]=4 5094 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100000210904_100102889548 [0,2,0,0,0,0|2,0,0]=4 5095 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100000210904_100102889548 [0,2,0,0,0,0|2,0,0]=4 5096 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100000210904_100011195070 [0,2,0,0,0,0|2,0,0]=4 5097 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100000210904_100011195070 [0,2,0,0,0,0|2,0,0]=4 5098 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000210904_200103079279 [0,2,0,0,0,0|2,0,0]=4 5099 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100000210904_100000716972 [0,2,0,0,0,0|2,0,0]=4 5100 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100000210904_100000716972 [0,2,0,0,0,0|2,0,0]=4 5101 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100000210904_100102525453 [0,2,0,0,0,0|2,0,0]=4 5102 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100000210904_100102525453 [0,2,0,0,0,0|2,0,0]=4 5103 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000210904_200103117615 [0,2,0,0,0,0|2,0,0]=4 5104 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100000210904_100102601611 [0,2,0,0,0,0|2,0,0]=4 5105 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100000210904_100102601611 [0,2,0,0,0,0|2,0,0]=4 5106 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100000210904_100020610926 [0,2,0,0,0,0|2,0,0]=4 5107 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100000210904_100020610926 [0,2,0,0,0,0|2,0,0]=4 5108 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)F)F 11a_100000210904_100011195075 [0,2,0,0,0,0|2,0,0]=4 5109 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100000210904_100011195075 [0,2,0,0,0,0|2,0,0]=4 5110 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000210904_100011195073 [0,2,0,0,0,0|2,0,0]=4 5111 B17R1.1062 Cc1cc(ccc1Cl)C=CC(=O)CCC(C)C 6a_100000698814_100000210476 [0,2,0,0,0,0|1,0,0]=3 5112 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)CCC(C)C 1458a_100016261966_100000210312 [0,2,0,0,0,0|1,0,0]=3 5113 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)CCC(C)C 6a_100000748208_100000210476 [0,2,0,0,0,0|1,0,0]=3 5114 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)CCC(C)O 1458a_100016261966_100012276601 [0,2,0,0,0,0|2,0,0]=4 5115 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NCC(C)C 11a_100000210953_100016261966 [0,2,0,0,0,0|1,0,0]=3 5116 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NCC(C)C 1626a_100000210953_100016261966 [0,2,0,0,0,0|1,0,0]=3 5117 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NCC(C)C 240690a_100000210953_100016261966 [0,2,0,0,0,0|1,0,0]=3 5118 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NCC(C)O 11a_100000210904_100016261966 [0,2,0,0,0,0|2,0,0]=4 5119 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NCC(C)O 240690a_100000210904_100016261966 [0,2,0,0,0,0|2,0,0]=4 5120 B17R1.1062 Cc1cc(ccc1F)C=CC(=O)NNC(C)C 22a_100000741168_100016261966 [0,2,0,0,0,0|2,0,0]=4 5121 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)CCC(C)C 1458a_100011338269_100000210312 [0,2,0,0,0,0|1,0,0]=3 5122 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)CCC(C)C 6a_100000229942_100000210476 [0,2,0,0,0,0|1,0,0]=3 5123 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)CCC(C)O 1458a_100011338269_100012276601 [0,2,0,0,0,0|2,0,0]=4 5124 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NCC(C)C 11a_100000210953_100011338269 [0,2,0,0,0,0|1,0,0]=3 5125 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NCC(C)C 1626a_100000210953_100011338269 [0,2,0,0,0,0|1,0,0]=3 5126 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NCC(C)C 240690a_100000210953_100011338269 [0,2,0,0,0,0|1,0,0]=3 5127 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NCC(C)O 11a_100000210904_100011338269 [0,2,0,0,0,0|2,0,0]=4 5128 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NCC(C)O 240690a_100000210904_100011338269 [0,2,0,0,0,0|2,0,0]=4 5129 B17R1.1062 Cc1ccc(cc1C)C=CC(=O)NNC(C)C 22a_100000741168_100011338269 [0,2,0,0,0,0|2,0,0]=4 5130 B17R1.1062 Cc1ccc(cc1Cl)C=CC(=O)CCC(C)C 6a_100000760539_100000210476 [0,2,0,0,0,0|1,0,0]=3 5131 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)CCC(C)C 1458a_100102526211_100000210312 [0,2,0,0,0,0|1,0,0]=3 5132 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)CCC(C)C 6a_100000753222_100000210476 [0,2,0,0,0,0|1,0,0]=3 5133 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)CCC(C)O 1458a_100102526211_100012276601 [0,2,0,0,0,0|2,0,0]=4 5134 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)NCC(C)C 11a_100000210953_100102526211 [0,2,0,0,0,0|1,0,0]=3 5135 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)NCC(C)C 1626a_100000210953_100102526211 [0,2,0,0,0,0|1,0,0]=3 5136 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)NCC(C)C 240690a_100000210953_100102526211 [0,2,0,0,0,0|1,0,0]=3 5137 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)NCC(C)O 11a_100000210904_100102526211 [0,2,0,0,0,0|2,0,0]=4 5138 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)NCC(C)O 240690a_100000210904_100102526211 [0,2,0,0,0,0|2,0,0]=4 5139 B17R1.1062 Cc1ccc(cc1F)C=CC(=O)NNC(C)C 22a_100000741168_100102526211 [0,2,0,0,0,0|2,0,0]=4 5140 B17R1.1062 Cc1ccc(cc1I)C=CC(=O)CCC(C)C 6a_100010197721_100000210476 [0,2,0,0,0,0|1,0,0]=3 5141 B17R1.1077 CC(C)CC(C)C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000731052 [0,2,0,0,0,0|1,0,0]=3 5142 B17R1.1077 CC(C)CC(C)C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000731052 [0,2,0,0,0,0|1,0,0]=3 5143 B17R1.1077 CC(C)CC(C)C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000731052 [0,2,0,0,0,0|1,0,0]=3 5144 B17R1.1077 CC(C)CC(C)C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000731052 [0,2,0,0,0,0|1,0,0]=3 5145 B17R1.1077 CC(C)CC(C)C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000731052 [0,2,0,0,0,0|2,0,0]=4 5146 B17R1.1077 CC(C)CC(C)C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000731052 [0,2,0,0,0,0|2,0,0]=4 5147 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000747067_100016267368 [0,2,0,0,0,0|1,0,0]=3 5148 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000747067_100016267368 [0,2,0,0,0,0|1,0,0]=3 5149 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000747067_100000184863 [0,2,0,0,0,0|1,0,0]=3 5150 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000747067_100000184863 [0,2,0,0,0,0|1,0,0]=3 5151 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000747067_100000184863 [0,2,0,0,0,0|1,0,0]=3 5152 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000747067_100000182136 [0,2,0,0,0,0|1,0,0]=3 5153 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000747067_100000182136 [0,2,0,0,0,0|1,0,0]=3 5154 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000747067_100000182136 [0,2,0,0,0,0|1,0,0]=3 5155 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000747067_100102526154 [0,2,0,0,0,0|1,0,0]=3 5156 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000747067_100102526154 [0,2,0,0,0,0|1,0,0]=3 5157 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000747067_100102526154 [0,2,0,0,0,0|1,0,0]=3 5158 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000747067_100016269017 [0,2,0,0,0,0|1,0,0]=3 5159 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cn1)F 11a_100000747067_100020630499 [0,2,0,0,0,0|2,0,0]=4 5160 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cn1)F 1626a_100000747067_100020630499 [0,2,0,0,0,0|2,0,0]=4 5161 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(cn1)F 240690a_100000747067_100020630499 [0,2,0,0,0,0|2,0,0]=4 5162 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(nc1)Br 11a_100000747067_100020588214 [0,2,0,0,0,0|2,0,0]=4 5163 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(nc1)Br 1626a_100000747067_100020588214 [0,2,0,0,0,0|2,0,0]=4 5164 B17R1.1077 CC(C)CN(C)C(=O)C=Cc1ccc(nc1)Br 240690a_100000747067_100020588214 [0,2,0,0,0,0|2,0,0]=4 5165 B17R1.1077 CC(O)CN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000227577_100000184863 [0,2,0,0,0,0|2,0,0]=4 5166 B17R1.1077 CC(O)CN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000227577_100000182136 [0,2,0,0,0,0|2,0,0]=4 5167 B17R1.1077 CC(O)CN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000227577_100102526154 [0,2,0,0,0,0|2,0,0]=4 5168 B17R1.1077 CC(O)CN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000227577_100016269017 [0,2,0,0,0,0|2,0,0]=4 5169 B17R1.1077 Cc1ccc(cc1)C=CC(=O)C(C)CC(C)C 1458a_100000716854_100000731052 [0,2,0,0,0,0|1,0,0]=3 5170 B17R1.1077 Cc1ccc(cc1)C=CC(=O)N(C)CC(C)C 11a_100000747067_100000716854 [0,2,0,0,0,0|1,0,0]=3 5171 B17R1.1077 Cc1ccc(cc1)C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000716854 [0,2,0,0,0,0|1,0,0]=3 5172 B17R1.1077 Cc1ccc(cc1)C=CC(=O)N(C)CC(C)C 240690a_100000747067_100000716854 [0,2,0,0,0,0|1,0,0]=3 5173 B17R1.1077 Cc1ccc(cc1)C=CC(=O)N(C)CC(C)O 240690a_100000227577_100000716854 [0,2,0,0,0,0|2,0,0]=4 5174 B17R1.1078 CC(C)C(=O)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000753385 [0,2,0,0,0,0|1,0,1]=4 5175 B17R1.1078 CC(C)C(=O)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000753385 [0,2,0,0,0,0|1,0,1]=4 5176 B17R1.1078 CC(C)C(=O)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000753385 [0,2,0,0,0,0|1,0,1]=4 5177 B17R1.1078 CC(C)C(=O)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000753385 [0,2,0,0,0,0|1,0,1]=4 5178 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)Br 11a_100000211541_100016267368 [0,2,0,0,0,0|1,0,0]=3 5179 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100000211541_100016267368 [0,2,0,0,0,0|1,0,0]=3 5180 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100000211541_100000184863 [0,2,0,0,0,0|1,0,0]=3 5181 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100000211541_100000184863 [0,2,0,0,0,0|1,0,0]=3 5182 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000211541_100000184863 [0,2,0,0,0,0|1,0,0]=3 5183 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)F 11a_100000211541_100000182136 [0,2,0,0,0,0|1,0,0]=3 5184 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)F 1626a_100000211541_100000182136 [0,2,0,0,0,0|1,0,0]=3 5185 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)F 240690a_100000211541_100000182136 [0,2,0,0,0,0|1,0,0]=3 5186 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)I 11a_100000211541_100102526154 [0,2,0,0,0,0|1,0,0]=3 5187 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)I 1626a_100000211541_100102526154 [0,2,0,0,0,0|1,0,0]=3 5188 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)I 240690a_100000211541_100102526154 [0,2,0,0,0,0|1,0,0]=3 5189 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cc1)O 240690a_100000211541_100016269017 [0,2,0,0,0,0|1,0,0]=3 5190 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cn1)F 11a_100000211541_100020630499 [0,2,0,0,0,0|2,0,0]=4 5191 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cn1)F 1626a_100000211541_100020630499 [0,2,0,0,0,0|2,0,0]=4 5192 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(cn1)F 240690a_100000211541_100020630499 [0,2,0,0,0,0|2,0,0]=4 5193 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(nc1)Br 11a_100000211541_100020588214 [0,2,0,0,0,0|2,0,0]=4 5194 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(nc1)Br 1626a_100000211541_100020588214 [0,2,0,0,0,0|2,0,0]=4 5195 B17R1.1078 CC(C)C(C)NC(=O)C=Cc1ccc(nc1)Br 240690a_100000211541_100020588214 [0,2,0,0,0,0|2,0,0]=4 5196 B17R1.1078 CC(C)N(C)CC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200015183747 [0,2,0,0,0,0|2,0,0]=4 5197 B17R1.1078 CC(C)N(C)CC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200015183747 [0,2,0,0,0,0|2,0,0]=4 5198 B17R1.1078 CC(C)N(C)CC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200015183747 [0,2,0,0,0,0|2,0,0]=4 5199 B17R1.1078 Cc1ccc(cc1)C=CC(=O)CC(=O)C(C)C 1458a_100000716854_100000753385 [0,2,0,0,0,0|1,0,1]=4 5200 B17R1.1078 Cc1ccc(cc1)C=CC(=O)NC(C)C(C)C 11a_100000211541_100000716854 [0,2,0,0,0,0|1,0,0]=3 5201 B17R1.1078 Cc1ccc(cc1)C=CC(=O)NC(C)C(C)C 1626a_100000211541_100000716854 [0,2,0,0,0,0|1,0,0]=3 5202 B17R1.1078 Cc1ccc(cc1)C=CC(=O)NC(C)C(C)C 240690a_100000211541_100000716854 [0,2,0,0,0,0|1,0,0]=3 5203 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)CCC(C)C 1458a_100053117043_100000210312 [0,2,0,0,0,0|1,0,0]=3 5204 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)CCC(C)O 1458a_100053117043_100012276601 [0,2,0,0,0,0|2,0,0]=4 5205 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NCC(C)C 11a_100000210953_100053117043 [0,2,0,0,0,0|1,0,0]=3 5206 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NCC(C)C 1626a_100000210953_100053117043 [0,2,0,0,0,0|1,0,0]=3 5207 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NCC(C)C 240690a_100000210953_100053117043 [0,2,0,0,0,0|1,0,0]=3 5208 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NCC(C)C 527a_100000210953_100053117043 [0,2,0,0,0,0|1,0,0]=3 5209 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NCC(C)O 11a_100000210904_100053117043 [0,2,0,0,0,0|2,0,0]=4 5210 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NCC(C)O 240690a_100000210904_100053117043 [0,2,0,0,0,0|2,0,0]=4 5211 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NCC(C)O 527a_100000210904_100053117043 [0,2,0,0,0,0|2,0,0]=4 5212 B17R1.1121 C/C(=C\c1ccc(cc1)F)/C(=O)NNC(C)C 22a_100000741168_100053117043 [0,2,0,0,0,0|2,0,0]=4 5213 B17R1.1121 CC(C)CNC(=O)C(=O)Cc1ccc(cc1)Br 1458a_200011297155_100000189115 [0,2,0,0,0,0|1,0,1]=4 5214 B17R1.1121 CC(C)CNC(=O)C(=O)Cc1ccc(cc1)Cl 1458a_200011297155_100000694040 [0,2,0,0,0,0|1,0,1]=4 5215 B17R1.1121 CC(C)CNC(=O)C(=O)Cc1ccc(cc1)F 1458a_200011297155_100000198546 [0,2,0,0,0,0|1,0,1]=4 5216 B17R1.1121 CC(C)CNC(=O)C(=O)Cc1ccc(cc1)I 1458a_200011297155_100000189116 [0,2,0,0,0,0|1,0,1]=4 5217 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_200011297155 [0,2,0,0,0,0|2,0,0]=4 5218 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_200011297155 [0,2,0,0,0,0|2,0,0]=4 5219 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_200011297155 [0,2,0,0,0,0|2,0,0]=4 5220 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_200011297155 [0,2,0,0,0,0|2,0,0]=4 5221 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210953_100000199041 [0,2,0,0,0,0|2,0,0]=4 5222 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_200011297155 [0,2,0,0,0,0|2,0,0]=4 5223 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100000210953_100000199041 [0,2,0,0,0,0|2,0,0]=4 5224 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_200011297155 [0,2,0,0,0,0|2,0,0]=4 5225 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_200011297155 [0,2,0,0,0,0|2,0,0]=4 5226 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000210953_100011297306 [0,2,0,0,0,0|2,0,0]=4 5227 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_200011297155 [0,2,0,0,0,0|2,0,0]=4 5228 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100000210953_100011297306 [0,2,0,0,0,0|2,0,0]=4 5229 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_200011297155 [0,2,0,0,0,0|2,0,0]=4 5230 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_200011297155 [0,2,0,0,0,0|2,0,0]=4 5231 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_200011297155 [0,2,0,0,0,0|2,0,0]=4 5232 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_200011297155 [0,2,0,0,0,0|2,0,0]=4 5233 B17R1.1121 CC(C)CNC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_200011297155 [0,2,0,0,0,0|2,0,0]=4 5234 B17R1.1121 Cc1ccc(cc1)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210814 [0,2,0,0,0,0|1,0,1]=4 5235 B17R1.1121 Cc1ccc(cc1)NC(=O)C(=O)CCC(C)C 1458a_100000189662_100000210312 [0,2,0,0,0,0|2,0,0]=4 5236 B17R1.1121 Cc1ccc(cc1)NC(=O)C(=O)NCC(C)C 1626a_100000124888_200011297155 [0,2,0,0,0,0|2,0,0]=4 5237 B17R1.1121 Cc1ccc(cc1)NC(=O)C(=O)NCC(C)C 1626a_100000210953_100000189662 [0,2,0,0,0,0|2,0,0]=4 5238 B17R1.1121 Cc1ccc(cc1)NC(=O)C(=O)NCC(C)C 22a_100000124888_200011297155 [0,2,0,0,0,0|2,0,0]=4 5239 B17R1.1121 Cc1ccc(cc1)NC(=O)C(=O)NCC(C)C 240690a_100000210953_100000189662 [0,2,0,0,0,0|2,0,0]=4 5240 B17R1.1121 Cc1ccc(cc1)NC(=O)C(=O)NCC(C)C 527a_100000124888_200011297155 [0,2,0,0,0,0|2,0,0]=4 5241 B17R1.1121 Cc1ccc(cc1)SC(=O)C(=O)NCC(C)C 11a_100000210953_100009913200 [0,2,0,0,0,0|2,0,0]=4 5242 B17R1.1121 Cc1ccc(cc1)SC(=O)C(=O)NCC(C)C 1626a_100000210953_100009913200 [0,2,0,0,0,0|2,0,0]=4 5243 B17R1.1121 Cc1ccc(cc1)SC(=O)C(=O)NCC(C)C 240690a_100000210953_100009913200 [0,2,0,0,0,0|2,0,0]=4 5244 B17R1.1121 Cc1ccc(cc1)SC(=O)C(=O)NCC(C)C 527a_100000210953_100009913200 [0,2,0,0,0,0|2,0,0]=4 5245 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000744482_100000184863 [0,2,0,0,0,0|1,0,0]=3 5246 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000744482_100000182136 [0,2,0,0,0,0|1,0,0]=3 5247 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000744482_100102526154 [0,2,0,0,0,0|1,0,0]=3 5248 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000744482_100016269017 [0,2,0,0,0,0|1,0,0]=3 5249 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000744482_100020630499 [0,2,0,0,0,0|2,0,0]=4 5250 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000744482_100020588214 [0,2,0,0,0,0|2,0,0]=4 5251 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100020588543_100016267368 [0,2,0,0,0,0|1,0,0]=3 5252 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100020588543_100016267368 [0,2,0,0,0,0|1,0,0]=3 5253 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)C 11a_100020588543_100000716854 [0,2,0,0,0,0|1,0,0]=3 5254 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)C 1626a_100020588543_100000716854 [0,2,0,0,0,0|1,0,0]=3 5255 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)C 240690a_100020588543_100000716854 [0,2,0,0,0,0|1,0,0]=3 5256 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100020588543_100000184863 [0,2,0,0,0,0|1,0,0]=3 5257 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020588543_100000184863 [0,2,0,0,0,0|1,0,0]=3 5258 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020588543_100000184863 [0,2,0,0,0,0|1,0,0]=3 5259 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100020588543_100000182136 [0,2,0,0,0,0|1,0,0]=3 5260 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100020588543_100000182136 [0,2,0,0,0,0|1,0,0]=3 5261 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100020588543_100000182136 [0,2,0,0,0,0|1,0,0]=3 5262 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100020588543_100102526154 [0,2,0,0,0,0|1,0,0]=3 5263 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100020588543_100102526154 [0,2,0,0,0,0|1,0,0]=3 5264 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100020588543_100102526154 [0,2,0,0,0,0|1,0,0]=3 5265 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100020588543_100016269017 [0,2,0,0,0,0|1,0,0]=3 5266 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cn1)F 11a_100020588543_100020630499 [0,2,0,0,0,0|2,0,0]=4 5267 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100020588543_100020630499 [0,2,0,0,0,0|2,0,0]=4 5268 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100020588543_100020630499 [0,2,0,0,0,0|2,0,0]=4 5269 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100020588543_100020588214 [0,2,0,0,0,0|2,0,0]=4 5270 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100020588543_100020588214 [0,2,0,0,0,0|2,0,0]=4 5271 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100020588543_100020588214 [0,2,0,0,0,0|2,0,0]=4 5272 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)Br 22a_100000718999_100016267368 [0,2,0,0,0,0|2,0,0]=4 5273 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)C 22a_100000718999_100000716854 [0,2,0,0,0,0|2,0,0]=4 5274 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)Cl 22a_100000718999_100000184863 [0,2,0,0,0,0|2,0,0]=4 5275 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)F 22a_100000718999_100000182136 [0,2,0,0,0,0|2,0,0]=4 5276 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)I 22a_100000718999_100102526154 [0,2,0,0,0,0|2,0,0]=4 5277 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)O 22a_100000718999_100016269017 [0,2,0,0,0,0|2,0,0]=4 5278 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100011218483_100016267368 [0,2,0,0,0,0|2,0,0]=4 5279 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)C 11a_100011218483_100000716854 [0,2,0,0,0,0|2,0,0]=4 5280 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)C 240690a_100011218483_100000716854 [0,2,0,0,0,0|2,0,0]=4 5281 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100011218483_100000184863 [0,2,0,0,0,0|2,0,0]=4 5282 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100011218483_100000184863 [0,2,0,0,0,0|2,0,0]=4 5283 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)F 11a_100011218483_100000182136 [0,2,0,0,0,0|2,0,0]=4 5284 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100011218483_100000182136 [0,2,0,0,0,0|2,0,0]=4 5285 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)I 11a_100011218483_100102526154 [0,2,0,0,0,0|2,0,0]=4 5286 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100011218483_100102526154 [0,2,0,0,0,0|2,0,0]=4 5287 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100011218483_100016269017 [0,2,0,0,0,0|2,0,0]=4 5288 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100020591295_100016267368 [0,2,0,0,0,0|1,0,0]=3 5289 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100020591295_100016267368 [0,2,0,0,0,0|1,0,0]=3 5290 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C 11a_100020591295_100000716854 [0,2,0,0,0,0|1,0,0]=3 5291 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C 1626a_100020591295_100000716854 [0,2,0,0,0,0|1,0,0]=3 5292 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C 240690a_100020591295_100000716854 [0,2,0,0,0,0|1,0,0]=3 5293 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100020591295_100000184863 [0,2,0,0,0,0|1,0,0]=3 5294 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020591295_100000184863 [0,2,0,0,0,0|1,0,0]=3 5295 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020591295_100000184863 [0,2,0,0,0,0|1,0,0]=3 5296 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F 11a_100020591295_100000182136 [0,2,0,0,0,0|1,0,0]=3 5297 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100020591295_100000182136 [0,2,0,0,0,0|1,0,0]=3 5298 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100020591295_100000182136 [0,2,0,0,0,0|1,0,0]=3 5299 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)I 11a_100020591295_100102526154 [0,2,0,0,0,0|1,0,0]=3 5300 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100020591295_100102526154 [0,2,0,0,0,0|1,0,0]=3 5301 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100020591295_100102526154 [0,2,0,0,0,0|1,0,0]=3 5302 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100020591295_100016269017 [0,2,0,0,0,0|1,0,0]=3 5303 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cn1)F 11a_100020591295_100020630499 [0,2,0,0,0,0|2,0,0]=4 5304 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100020591295_100020630499 [0,2,0,0,0,0|2,0,0]=4 5305 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100020591295_100020630499 [0,2,0,0,0,0|2,0,0]=4 5306 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100020591295_100020588214 [0,2,0,0,0,0|2,0,0]=4 5307 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100020591295_100020588214 [0,2,0,0,0,0|2,0,0]=4 5308 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100020591295_100020588214 [0,2,0,0,0,0|2,0,0]=4 5309 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NCC(C)CO 240690a_100000744482_100000716854 [0,2,0,0,0,0|1,0,0]=3 5310 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000716854 [0,2,0,0,0,0|2,0,0]=4 5311 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000716854 [0,2,0,0,0,0|2,0,0]=4 5312 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@@H](F)CO 240690a_100015665980_100000184863 [0,2,0,0,0,0|2,0,0]=4 5313 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@H](O)CO 240690a_100020644852_100000184863 [0,2,0,0,0,0|2,0,0]=4 5314 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@@H](F)CO 240690a_100015665980_100000182136 [0,2,0,0,0,0|2,0,0]=4 5315 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@H](O)CO 240690a_100020644852_100000182136 [0,2,0,0,0,0|2,0,0]=4 5316 B17R1.1402 O=C(C=Cc1ccc(cc1)I)NC[C@@H](F)CO 240690a_100015665980_100102526154 [0,2,0,0,0,0|2,0,0]=4 5317 B17R1.1402 O=C(C=Cc1ccc(cc1)I)NC[C@H](O)CO 240690a_100020644852_100102526154 [0,2,0,0,0,0|2,0,0]=4 5318 B17R1.1402 O=C(C=Cc1ccc(cc1)O)NC[C@@H](F)CO 240690a_100015665980_100016269017 [0,2,0,0,0,0|2,0,0]=4 5319 B17R1.1402 O=C(C=Cc1ccc(cc1)O)NC[C@H](O)CO 240690a_100020644852_100016269017 [0,2,0,0,0,0|2,0,0]=4 5320 B17R1.8288 CC(C)(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000755188 [0,2,0,0,0,0|1,0,0]=3 5321 B17R1.8288 CC(C)(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000755188 [0,2,0,0,0,0|1,0,0]=3 5322 B17R1.8288 CC(C)(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000755188 [0,2,0,0,0,0|1,0,0]=3 5323 B17R1.8288 CC(C)(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000755188 [0,2,0,0,0,0|1,0,0]=3 5324 B17R1.8288 CC(C)(C)CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000755188 [0,2,0,0,0,0|2,0,0]=4 5325 B17R1.8288 CC(C)(C)CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000755188 [0,2,0,0,0,0|2,0,0]=4 5326 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000743828_100016267368 [0,2,0,0,0,0|1,0,0]=3 5327 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000743828_100016267368 [0,2,0,0,0,0|1,0,0]=3 5328 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000743828_100000184863 [0,2,0,0,0,0|1,0,0]=3 5329 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000743828_100000184863 [0,2,0,0,0,0|1,0,0]=3 5330 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000743828_100000184863 [0,2,0,0,0,0|1,0,0]=3 5331 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000743828_100000182136 [0,2,0,0,0,0|1,0,0]=3 5332 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000743828_100000182136 [0,2,0,0,0,0|1,0,0]=3 5333 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000743828_100000182136 [0,2,0,0,0,0|1,0,0]=3 5334 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000743828_100102526154 [0,2,0,0,0,0|1,0,0]=3 5335 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000743828_100102526154 [0,2,0,0,0,0|1,0,0]=3 5336 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000743828_100102526154 [0,2,0,0,0,0|1,0,0]=3 5337 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000743828_100016269017 [0,2,0,0,0,0|1,0,0]=3 5338 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cn1)F 11a_100000743828_100020630499 [0,2,0,0,0,0|2,0,0]=4 5339 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100000743828_100020630499 [0,2,0,0,0,0|2,0,0]=4 5340 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000743828_100020630499 [0,2,0,0,0,0|2,0,0]=4 5341 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000743828_100020588214 [0,2,0,0,0,0|2,0,0]=4 5342 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100000743828_100020588214 [0,2,0,0,0,0|2,0,0]=4 5343 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000743828_100020588214 [0,2,0,0,0,0|2,0,0]=4 5344 B17R1.8288 CC(C)(C)COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_200010402935 [0,2,0,0,0,0|1,0,1]=4 5345 B17R1.8288 CC(C)(C)COC(=O)CNc1ccc(cc1)Br 34a_100000210018_200010402935 [0,2,0,0,0,0|1,0,1]=4 5346 B17R1.8288 CC(C)(C)COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_200010402935 [0,2,0,0,0,0|1,0,1]=4 5347 B17R1.8288 CC(C)(C)COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_200010402935 [0,2,0,0,0,0|1,0,1]=4 5348 B17R1.8288 CC(C)(C)COC(=O)CNc1ccc(cc1)F 34a_100000185862_200010402935 [0,2,0,0,0,0|1,0,1]=4 5349 B17R1.8288 CC(C)(C)COC(=O)CNc1ccc(cc1)I 34a_100000185761_200010402935 [0,2,0,0,0,0|1,0,1]=4 5350 B17R1.8288 CC(C)(C)COC(=O)CNc1ccc(cc1)O 34a_100000185829_200010402935 [0,2,0,0,0,0|1,0,1]=4 5351 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)Br 34a_100000185759_200010402935 [0,2,0,0,0,0|1,0,1]=4 5352 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)Br 7a_100000185759_200010402935 [0,2,0,0,0,0|1,0,1]=4 5353 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)Cl 34a_100000210216_200010402935 [0,2,0,0,0,0|1,0,1]=4 5354 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)Cl 7a_100000210216_200010402935 [0,2,0,0,0,0|1,0,1]=4 5355 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)F 34a_100000210339_200010402935 [0,2,0,0,0,0|1,0,1]=4 5356 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)I 34a_100000212066_200010402935 [0,2,0,0,0,0|1,0,1]=4 5357 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)I 7a_100000212066_200010402935 [0,2,0,0,0,0|1,0,1]=4 5358 B17R1.8288 CC(C)(C)COC(=O)COc1ccc(cc1)N 34a_100000185829_200010402935 [0,2,0,0,0,0|1,0,1]=4 5359 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)Br 62a_100000752885_200010402935 [0,2,0,0,0,0|1,0,1]=4 5360 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)Br 62a_200010402935_100000752885 [0,2,0,0,0,0|1,0,1]=4 5361 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_200010402935 [0,2,0,0,0,0|1,0,1]=4 5362 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)Cl 62a_200010402935_100000755918 [0,2,0,0,0,0|1,0,1]=4 5363 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)F 62a_100000211213_200010402935 [0,2,0,0,0,0|1,0,1]=4 5364 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)F 62a_200010402935_100000211213 [0,2,0,0,0,0|1,0,1]=4 5365 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)N 62a_100000185761_200010402935 [0,2,0,0,0,0|1,0,1]=4 5366 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)N 62a_200010402935_100000185761 [0,2,0,0,0,0|1,0,1]=4 5367 B17R1.8288 CC(C)(C)COC(=O)CSc1ccc(cc1)O 62a_200010402935_100000185759 [0,2,0,0,0,0|1,0,1]=4 5368 B17R1.8288 CC(C)(C)NNC(=O)C=Cc1ccc(cc1)Br 22a_100000725372_100016267368 [0,2,0,0,0,0|2,0,0]=4 5369 B17R1.8288 CC(C)(C)NNC(=O)C=Cc1ccc(cc1)Cl 22a_100000725372_100000184863 [0,2,0,0,0,0|2,0,0]=4 5370 B17R1.8288 CC(C)(C)NNC(=O)C=Cc1ccc(cc1)F 22a_100000725372_100000182136 [0,2,0,0,0,0|2,0,0]=4 5371 B17R1.8288 CC(C)(C)NNC(=O)C=Cc1ccc(cc1)I 22a_100000725372_100102526154 [0,2,0,0,0,0|2,0,0]=4 5372 B17R1.8288 CC(C)(C)NNC(=O)C=Cc1ccc(cc1)O 22a_100000725372_100016269017 [0,2,0,0,0,0|2,0,0]=4 5373 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Br 11a_100020643315_100016267368 [0,2,0,0,0,0|1,0,0]=3 5374 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100020643315_100016267368 [0,2,0,0,0,0|1,0,0]=3 5375 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100020643315_100000184863 [0,2,0,0,0,0|1,0,0]=3 5376 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020643315_100000184863 [0,2,0,0,0,0|1,0,0]=3 5377 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020643315_100000184863 [0,2,0,0,0,0|1,0,0]=3 5378 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)F 11a_100020643315_100000182136 [0,2,0,0,0,0|1,0,0]=3 5379 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)F 1626a_100020643315_100000182136 [0,2,0,0,0,0|1,0,0]=3 5380 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)F 240690a_100020643315_100000182136 [0,2,0,0,0,0|1,0,0]=3 5381 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)I 11a_100020643315_100102526154 [0,2,0,0,0,0|1,0,0]=3 5382 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)I 1626a_100020643315_100102526154 [0,2,0,0,0,0|1,0,0]=3 5383 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)I 240690a_100020643315_100102526154 [0,2,0,0,0,0|1,0,0]=3 5384 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)O 240690a_100020643315_100016269017 [0,2,0,0,0,0|1,0,0]=3 5385 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cn1)F 11a_100020643315_100020630499 [0,2,0,0,0,0|2,0,0]=4 5386 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cn1)F 1626a_100020643315_100020630499 [0,2,0,0,0,0|2,0,0]=4 5387 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cn1)F 240690a_100020643315_100020630499 [0,2,0,0,0,0|2,0,0]=4 5388 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(nc1)Br 11a_100020643315_100020588214 [0,2,0,0,0,0|2,0,0]=4 5389 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100020643315_100020588214 [0,2,0,0,0,0|2,0,0]=4 5390 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100020643315_100020588214 [0,2,0,0,0,0|2,0,0]=4 5391 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000751335_100016267368 [0,2,0,0,0,0|1,0,0]=3 5392 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000751335_100000184863 [0,2,0,0,0,0|1,0,0]=3 5393 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000751335_100000184863 [0,2,0,0,0,0|1,0,0]=3 5394 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000751335_100000182136 [0,2,0,0,0,0|1,0,0]=3 5395 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000751335_100000182136 [0,2,0,0,0,0|1,0,0]=3 5396 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000751335_100102526154 [0,2,0,0,0,0|1,0,0]=3 5397 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000751335_100102526154 [0,2,0,0,0,0|1,0,0]=3 5398 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000751335_100016269017 [0,2,0,0,0,0|1,0,0]=3 5399 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cn1)F 1626a_100000751335_100020630499 [0,2,0,0,0,0|2,0,0]=4 5400 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000751335_100020630499 [0,2,0,0,0,0|2,0,0]=4 5401 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100000751335_100020588214 [0,2,0,0,0,0|2,0,0]=4 5402 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000751335_100020588214 [0,2,0,0,0,0|2,0,0]=4 5403 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000731000_100016267368 [0,2,0,0,0,0|2,0,0]=4 5404 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000731000_100016267368 [0,2,0,0,0,0|2,0,0]=4 5405 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000731000_100000184863 [0,2,0,0,0,0|2,0,0]=4 5406 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000731000_100000184863 [0,2,0,0,0,0|2,0,0]=4 5407 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000731000_100000184863 [0,2,0,0,0,0|2,0,0]=4 5408 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)F 11a_100000731000_100000182136 [0,2,0,0,0,0|2,0,0]=4 5409 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000731000_100000182136 [0,2,0,0,0,0|2,0,0]=4 5410 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000731000_100000182136 [0,2,0,0,0,0|2,0,0]=4 5411 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)I 11a_100000731000_100102526154 [0,2,0,0,0,0|2,0,0]=4 5412 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000731000_100102526154 [0,2,0,0,0,0|2,0,0]=4 5413 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000731000_100102526154 [0,2,0,0,0,0|2,0,0]=4 5414 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000731000_100016269017 [0,2,0,0,0,0|2,0,0]=4 5415 B17R1.8288 C[N+](C)(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000085578 [0,2,0,0,0,0|2,0,0]=4 5416 B17R1.8288 C[N+](C)(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000085578 [0,2,0,0,0,0|2,0,0]=4 5417 B17R1.8288 C[N+](C)(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000085578 [0,2,0,0,0,0|2,0,0]=4 5418 B17R1.8288 C[N+](C)(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000085578 [0,2,0,0,0,0|2,0,0]=4 5419 B17R1.8288 C[Si](C)(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000733723 [0,2,0,0,0,0|1,1,0]=4 5420 B17R1.8288 C[Si](C)(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000733723 [0,2,0,0,0,0|1,1,0]=4 5421 B17R1.8288 C[Si](C)(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000733723 [0,2,0,0,0,0|1,1,0]=4 5422 B17R1.8288 C[Si](C)(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000733723 [0,2,0,0,0,0|1,1,0]=4 5423 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_102516607284_100016267368 [0,2,0,0,0,0|1,1,0]=4 5424 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_102516607284_100016267368 [0,2,0,0,0,0|1,1,0]=4 5425 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_102516607284_100000184863 [0,2,0,0,0,0|1,1,0]=4 5426 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_102516607284_100000184863 [0,2,0,0,0,0|1,1,0]=4 5427 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_102516607284_100000184863 [0,2,0,0,0,0|1,1,0]=4 5428 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)F 11a_102516607284_100000182136 [0,2,0,0,0,0|1,1,0]=4 5429 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_102516607284_100000182136 [0,2,0,0,0,0|1,1,0]=4 5430 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_102516607284_100000182136 [0,2,0,0,0,0|1,1,0]=4 5431 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)I 11a_102516607284_100102526154 [0,2,0,0,0,0|1,1,0]=4 5432 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_102516607284_100102526154 [0,2,0,0,0,0|1,1,0]=4 5433 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_102516607284_100102526154 [0,2,0,0,0,0|1,1,0]=4 5434 B17R1.8288 C[Si](C)(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_102516607284_100016269017 [0,2,0,0,0,0|1,1,0]=4 5435 B17R1.8288 Cc1ccc(cc1)C=CC(=O)CCC(C)(C)C 1458a_100000716854_100000755188 [0,2,0,0,0,0|1,0,0]=3 5436 B17R1.8288 Cc1ccc(cc1)C=CC(=O)CC[N+](C)(C)C 1458a_100000716854_100000085578 [0,2,0,0,0,0|2,0,0]=4 5437 B17R1.8288 Cc1ccc(cc1)C=CC(=O)CC[Si](C)(C)C 1458a_100000716854_200000733723 [0,2,0,0,0,0|1,1,0]=4 5438 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)C 11a_100000743828_100000716854 [0,2,0,0,0,0|1,0,0]=3 5439 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)C 1626a_100000743828_100000716854 [0,2,0,0,0,0|1,0,0]=3 5440 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)C 240690a_100000743828_100000716854 [0,2,0,0,0,0|1,0,0]=3 5441 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)F 11a_100020643315_100000716854 [0,2,0,0,0,0|1,0,0]=3 5442 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)F 1626a_100020643315_100000716854 [0,2,0,0,0,0|1,0,0]=3 5443 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)F 240690a_100020643315_100000716854 [0,2,0,0,0,0|1,0,0]=3 5444 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)O 1626a_100000751335_100000716854 [0,2,0,0,0,0|1,0,0]=3 5445 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)O 240690a_100000751335_100000716854 [0,2,0,0,0,0|1,0,0]=3 5446 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(F)F 11a_100000731000_100000716854 [0,2,0,0,0,0|2,0,0]=4 5447 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(F)F 1626a_100000731000_100000716854 [0,2,0,0,0,0|2,0,0]=4 5448 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(F)F 240690a_100000731000_100000716854 [0,2,0,0,0,0|2,0,0]=4 5449 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NC[Si](C)(C)C 11a_102516607284_100000716854 [0,2,0,0,0,0|1,1,0]=4 5450 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NC[Si](C)(C)C 1626a_102516607284_100000716854 [0,2,0,0,0,0|1,1,0]=4 5451 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NC[Si](C)(C)C 240690a_102516607284_100000716854 [0,2,0,0,0,0|1,1,0]=4 5452 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NNC(C)(C)C 22a_100000725372_100000716854 [0,2,0,0,0,0|2,0,0]=4 5453 B17R1.8288 Cc1ccc(cc1)NCC(=O)OCC(C)(C)C 34a_100000124888_200010402935 [0,2,0,0,0,0|1,0,1]=4 5454 B17R1.8288 Cc1ccc(cc1)OCC(=O)OCC(C)(C)C 34a_100000210336_200010402935 [0,2,0,0,0,0|1,0,1]=4 5455 B17R1.8288 Cc1ccc(cc1)OCC(=O)OCC(C)(C)C 7a_100000210336_200010402935 [0,2,0,0,0,0|1,0,1]=4 5456 B17R1.8288 Cc1ccc(cc1)SCC(=O)OCC(C)(C)C 62a_100000186775_200010402935 [0,2,0,0,0,0|1,0,1]=4 5457 B17R1.8288 Cc1ccc(cc1)SCC(=O)OCC(C)(C)C 62a_200010402935_100000186775 [0,2,0,0,0,0|1,0,1]=4 5458 B17R1.786 CC(C)CCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210312 [0,2,0,0,0,0|1,0,0]=3 5459 B17R1.786 CC(C)CNC(=O)C(=Cc1ccccc1)C#N 527a_100000210953_100000162679 [0,2,0,0,0,0|1,0,0]=3 5460 B17R1.786 CC(C)COC(=O)C(=Cc1cncnc1)C#N 6a_100000749868_100000039089 [0,2,0,0,0,0|2,0,0]=4 5461 B17R1.786 CC(C)NNC(=O)C(=Cc1ccccc1)C#N 22a_100000741168_100000162679 [0,2,0,0,0,0|2,0,0]=4 5462 B17R1.786 CC(O)CCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100012276601 [0,2,0,0,0,0|2,0,0]=4 5463 B17R1.786 CC(O)CNC(=O)C(=Cc1ccccc1)C#N 527a_100000210904_100000162679 [0,2,0,0,0,0|2,0,0]=4 5464 B17R1.1375 C/C(=C\c1ccccc1)/C(=O)NCC(C)CO 527a_100000744482_100016990649 [0,2,0,0,0,0|1,0,0]=3 5465 B17R1.1375 C/C(=C\c1ccccc1)/C(=O)NC[C@@H](F)CO 527a_100015665980_100016990649 [0,2,0,0,0,0|2,0,0]=4 5466 B17R1.1375 C/C(=C\c1ccccc1)/C(=O)NC[C@H](O)CO 527a_100020644852_100016990649 [0,2,0,0,0,0|2,0,0]=4 5467 B17R1.1375 C/C(=C\c1ccccn1)/C(=O)NCC(C)CO 527a_100000744482_100025712827 [0,2,0,0,0,0|2,0,0]=4 5468 B17R1.1375 C=C(Cc1ccccc1)C(=O)NCC(C)CC 11a_100020588543_100000066491 [0,2,0,0,0,0|1,0,1]=4 5469 B17R1.1375 C=C(Cc1ccccc1)C(=O)NCC(C)CC 1626a_100020588543_100000066491 [0,2,0,0,0,0|1,0,1]=4 5470 B17R1.1375 C=C(Cc1ccccc1)C(=O)NC[C@@H](C)OC 11a_100020591295_100000066491 [0,2,0,0,0,0|1,0,1]=4 5471 B17R1.1375 C=C(Cc1ccccc1)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000066491 [0,2,0,0,0,0|1,0,1]=4 5472 B17R1.1375 CC(CO)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000744482_200020598536 [0,2,0,0,0,0|1,0,0]=3 5473 B17R1.1375 CC(CO)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000744482_200020598536 [0,2,0,0,0,0|1,0,0]=3 5474 B17R1.1375 CC(CO)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000744482_100020889036 [0,2,0,0,0,0|1,0,0]=3 5475 B17R1.1375 CC(CO)CNC(=O)C(=Cc1cccnc1)F 240690a_100000744482_100000731744 [0,2,0,0,0,0|2,0,0]=4 5476 B17R1.1375 CC(CO)CNC(=O)C(=Cc1cccnc1)F 527a_100000744482_100000731744 [0,2,0,0,0,0|2,0,0]=4 5477 B17R1.1375 CC(CO)CNC(=O)C(=O)Nc1ccccc1 240690a_100000744482_100000738435 [0,2,0,0,0,0|2,0,0]=4 5478 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/C 11a_100020588543_100016990649 [0,2,0,0,0,0|1,0,0]=3 5479 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/C 1626a_100020588543_100016990649 [0,2,0,0,0,0|1,0,0]=3 5480 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/C 527a_100020588543_100016990649 [0,2,0,0,0,0|1,0,0]=3 5481 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 5482 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 5483 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 5484 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 5485 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccn1)/C 11a_100020588543_100025712827 [0,2,0,0,0,0|2,0,0]=4 5486 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccn1)/C 1626a_100020588543_100025712827 [0,2,0,0,0,0|2,0,0]=4 5487 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccn1)/C 527a_100020588543_100025712827 [0,2,0,0,0,0|2,0,0]=4 5488 B17R1.1375 CCC(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100020588543_100020889036 [0,2,0,0,0,0|1,0,0]=3 5489 B17R1.1375 CCC(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100020588543_100020889036 [0,2,0,0,0,0|1,0,0]=3 5490 B17R1.1375 CCC(C)CNC(=O)C(=Cc1cccnc1)F 11a_100020588543_100000731744 [0,2,0,0,0,0|2,0,0]=4 5491 B17R1.1375 CCC(C)CNC(=O)C(=Cc1cccnc1)F 240690a_100020588543_100000731744 [0,2,0,0,0,0|2,0,0]=4 5492 B17R1.1375 CCC(C)CNC(=O)C(=Cc1cccnc1)F 527a_100020588543_100000731744 [0,2,0,0,0,0|2,0,0]=4 5493 B17R1.1375 CCC(C)CNC(=O)C(=O)Nc1ccccc1 240690a_100020588543_100000738435 [0,2,0,0,0,0|2,0,0]=4 5494 B17R1.1375 CCC(C)NNC(=O)/C(=C/c1ccccc1)/C 22a_100000718999_100016990649 [0,2,0,0,0,0|2,0,0]=4 5495 B17R1.1375 CCC(C)NNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000718999_200020598536 [0,2,0,0,0,0|2,0,0]=4 5496 B17R1.1375 CCC(C)NNC(=O)/C(=C\c1ccccc1)/F 22a_100000718999_100020889036 [0,2,0,0,0,0|2,0,0]=4 5497 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/C 11a_100011218483_100016990649 [0,2,0,0,0,0|2,0,0]=4 5498 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/C 527a_100011218483_100016990649 [0,2,0,0,0,0|2,0,0]=4 5499 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100011218483_200020598536 [0,2,0,0,0,0|2,0,0]=4 5500 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100011218483_200020598536 [0,2,0,0,0,0|2,0,0]=4 5501 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100011218483_200020598536 [0,2,0,0,0,0|2,0,0]=4 5502 B17R1.1375 CCC(O)CNC(=O)/C(=C\c1ccccc1)/F 11a_100011218483_100020889036 [0,2,0,0,0,0|2,0,0]=4 5503 B17R1.1375 CCC(O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100011218483_100020889036 [0,2,0,0,0,0|2,0,0]=4 5504 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/C 11a_100020591295_100016990649 [0,2,0,0,0,0|1,0,0]=3 5505 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/C 1626a_100020591295_100016990649 [0,2,0,0,0,0|1,0,0]=3 5506 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/C 527a_100020591295_100016990649 [0,2,0,0,0,0|1,0,0]=3 5507 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020591295_200020598536 [0,2,0,0,0,0|1,0,0]=3 5508 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020591295_200020598536 [0,2,0,0,0,0|1,0,0]=3 5509 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020591295_200020598536 [0,2,0,0,0,0|1,0,0]=3 5510 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020591295_200020598536 [0,2,0,0,0,0|1,0,0]=3 5511 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccn1)/C 11a_100020591295_100025712827 [0,2,0,0,0,0|2,0,0]=4 5512 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccn1)/C 1626a_100020591295_100025712827 [0,2,0,0,0,0|2,0,0]=4 5513 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccn1)/C 527a_100020591295_100025712827 [0,2,0,0,0,0|2,0,0]=4 5514 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100020591295_100020889036 [0,2,0,0,0,0|1,0,0]=3 5515 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100020591295_100020889036 [0,2,0,0,0,0|1,0,0]=3 5516 B17R1.1375 CO[C@H](C)CNC(=O)C(=Cc1cccnc1)F 11a_100020591295_100000731744 [0,2,0,0,0,0|2,0,0]=4 5517 B17R1.1375 CO[C@H](C)CNC(=O)C(=Cc1cccnc1)F 240690a_100020591295_100000731744 [0,2,0,0,0,0|2,0,0]=4 5518 B17R1.1375 CO[C@H](C)CNC(=O)C(=Cc1cccnc1)F 527a_100020591295_100000731744 [0,2,0,0,0,0|2,0,0]=4 5519 B17R1.1375 CO[C@H](C)CNC(=O)C(=O)Nc1ccccc1 240690a_100020591295_100000738435 [0,2,0,0,0,0|2,0,0]=4 5520 B17R1.1375 O=C(NC[C@@H](F)CO)/C(=C/c1ccccc1)/Cl 240690a_100015665980_200020598536 [0,2,0,0,0,0|2,0,0]=4 5521 B17R1.1375 O=C(NC[C@@H](F)CO)/C(=C/c1ccccc1)/Cl 527a_100015665980_200020598536 [0,2,0,0,0,0|2,0,0]=4 5522 B17R1.1375 O=C(NC[C@@H](F)CO)/C(=C\c1ccccc1)/F 527a_100015665980_100020889036 [0,2,0,0,0,0|2,0,0]=4 5523 B17R1.1375 O=C(NC[C@H](O)CO)/C(=C/c1ccccc1)/Cl 240690a_100020644852_200020598536 [0,2,0,0,0,0|2,0,0]=4 5524 B17R1.1375 O=C(NC[C@H](O)CO)/C(=C/c1ccccc1)/Cl 527a_100020644852_200020598536 [0,2,0,0,0,0|2,0,0]=4 5525 B17R1.1375 O=C(NC[C@H](O)CO)/C(=C\c1ccccc1)/F 527a_100020644852_100020889036 [0,2,0,0,0,0|2,0,0]=4 5526 B17R1.4482 C/C(=C\c1ccccc1)/C(=O)CC(=O)C(C)C 1458a_100016990649_100000753385 [0,2,0,0,0,0|1,0,1]=4 5527 B17R1.4482 C/C(=C\c1ccccc1)/C(=O)NC(C)C(C)C 11a_100000211541_100016990649 [0,2,0,0,0,0|1,0,0]=3 5528 B17R1.4482 C/C(=C\c1ccccc1)/C(=O)NC(C)C(C)C 1626a_100000211541_100016990649 [0,2,0,0,0,0|1,0,0]=3 5529 B17R1.4482 C/C(=C\c1ccccc1)/C(=O)NC(C)C(C)C 527a_100000211541_100016990649 [0,2,0,0,0,0|1,0,0]=3 5530 B17R1.4482 C/C(=C\c1ccccn1)/C(=O)NC(C)C(C)C 11a_100000211541_100025712827 [0,2,0,0,0,0|2,0,0]=4 5531 B17R1.4482 C/C(=C\c1ccccn1)/C(=O)NC(C)C(C)C 1626a_100000211541_100025712827 [0,2,0,0,0,0|2,0,0]=4 5532 B17R1.4482 C/C(=C\c1ccccn1)/C(=O)NC(C)C(C)C 527a_100000211541_100025712827 [0,2,0,0,0,0|2,0,0]=4 5533 B17R1.4482 C=C(Cc1ccccc1)C(=O)NC(C)C(C)C 11a_100000211541_100000066491 [0,2,0,0,0,0|1,0,1]=4 5534 B17R1.4482 C=C(Cc1ccccc1)C(=O)NC(C)C(C)C 1626a_100000211541_100000066491 [0,2,0,0,0,0|1,0,1]=4 5535 B17R1.4482 CC(C)C(=O)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000753385 [0,2,0,0,0,0|1,0,1]=4 5536 B17R1.4482 CC(C)C(=O)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000753385 [0,2,0,0,0,0|1,0,1]=4 5537 B17R1.4482 CC(C)C(C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100000211541_200020598536 [0,2,0,0,0,0|1,0,0]=3 5538 B17R1.4482 CC(C)C(C)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000211541_200020598536 [0,2,0,0,0,0|1,0,0]=3 5539 B17R1.4482 CC(C)C(C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000211541_200020598536 [0,2,0,0,0,0|1,0,0]=3 5540 B17R1.4482 CC(C)C(C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000211541_200020598536 [0,2,0,0,0,0|1,0,0]=3 5541 B17R1.4482 CC(C)C(C)NC(=O)/C(=C\c1ccccc1)/F 11a_100000211541_100020889036 [0,2,0,0,0,0|1,0,0]=3 5542 B17R1.4482 CC(C)C(C)NC(=O)/C(=C\c1ccccc1)/F 527a_100000211541_100020889036 [0,2,0,0,0,0|1,0,0]=3 5543 B17R1.4482 CC(C)C(C)NC(=O)C(=Cc1cccnc1)F 11a_100000211541_100000731744 [0,2,0,0,0,0|2,0,0]=4 5544 B17R1.4482 CC(C)C(C)NC(=O)C(=Cc1cccnc1)F 240690a_100000211541_100000731744 [0,2,0,0,0,0|2,0,0]=4 5545 B17R1.4482 CC(C)C(C)NC(=O)C(=Cc1cccnc1)F 527a_100000211541_100000731744 [0,2,0,0,0,0|2,0,0]=4 5546 B17R1.4482 CC(C)C(C)NC(=O)C(=O)Nc1ccccc1 240690a_100000211541_100000738435 [0,2,0,0,0,0|2,0,0]=4 5547 B17R1.8310 C/C(=C\c1ccccc1)/C(=O)C(C)CC(C)C 1458a_100016990649_100000731052 [0,2,0,0,0,0|1,0,0]=3 5548 B17R1.8310 C/C(=C\c1ccccc1)/C(=O)N(C)CC(C)C 11a_100000747067_100016990649 [0,2,0,0,0,0|1,0,0]=3 5549 B17R1.8310 C/C(=C\c1ccccc1)/C(=O)N(C)CC(C)C 1626a_100000747067_100016990649 [0,2,0,0,0,0|1,0,0]=3 5550 B17R1.8310 C/C(=C\c1ccccc1)/C(=O)N(C)CC(C)C 527a_100000747067_100016990649 [0,2,0,0,0,0|1,0,0]=3 5551 B17R1.8310 C/C(=C\c1ccccc1)/C(=O)N(C)CC(C)O 527a_100000227577_100016990649 [0,2,0,0,0,0|2,0,0]=4 5552 B17R1.8310 C/C(=C\c1ccccn1)/C(=O)C(C)CC(C)C 1458a_100025712827_100000731052 [0,2,0,0,0,0|2,0,0]=4 5553 B17R1.8310 C/C(=C\c1ccccn1)/C(=O)N(C)CC(C)C 11a_100000747067_100025712827 [0,2,0,0,0,0|2,0,0]=4 5554 B17R1.8310 C/C(=C\c1ccccn1)/C(=O)N(C)CC(C)C 1626a_100000747067_100025712827 [0,2,0,0,0,0|2,0,0]=4 5555 B17R1.8310 C/C(=C\c1ccccn1)/C(=O)N(C)CC(C)C 527a_100000747067_100025712827 [0,2,0,0,0,0|2,0,0]=4 5556 B17R1.8310 C=C(Cc1ccccc1)C(=O)N(C)CC(C)C 11a_100000747067_100000066491 [0,2,0,0,0,0|1,0,1]=4 5557 B17R1.8310 C=C(Cc1ccccc1)C(=O)N(C)CC(C)C 1626a_100000747067_100000066491 [0,2,0,0,0,0|1,0,1]=4 5558 B17R1.8310 CC(C)CC(C)C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000731052 [0,2,0,0,0,0|1,0,0]=3 5559 B17R1.8310 CC(C)CC(C)C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000731052 [0,2,0,0,0,0|1,0,0]=3 5560 B17R1.8310 CC(C)CC(C)C(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000731052 [0,2,0,0,0,0|2,0,0]=4 5561 B17R1.8310 CC(C)CC(C)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000731052 [0,2,0,0,0,0|2,0,0]=4 5562 B17R1.8310 CC(C)CN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000747067_200020598536 [0,2,0,0,0,0|1,0,0]=3 5563 B17R1.8310 CC(C)CN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000747067_200020598536 [0,2,0,0,0,0|1,0,0]=3 5564 B17R1.8310 CC(C)CN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000747067_200020598536 [0,2,0,0,0,0|1,0,0]=3 5565 B17R1.8310 CC(C)CN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000747067_200020598536 [0,2,0,0,0,0|1,0,0]=3 5566 B17R1.8310 CC(C)CN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000747067_100020889036 [0,2,0,0,0,0|1,0,0]=3 5567 B17R1.8310 CC(C)CN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000747067_100020889036 [0,2,0,0,0,0|1,0,0]=3 5568 B17R1.8310 CC(C)CN(C)C(=O)C(=Cc1cccnc1)F 11a_100000747067_100000731744 [0,2,0,0,0,0|2,0,0]=4 5569 B17R1.8310 CC(C)CN(C)C(=O)C(=Cc1cccnc1)F 240690a_100000747067_100000731744 [0,2,0,0,0,0|2,0,0]=4 5570 B17R1.8310 CC(C)CN(C)C(=O)C(=Cc1cccnc1)F 527a_100000747067_100000731744 [0,2,0,0,0,0|2,0,0]=4 5571 B17R1.8310 CC(C)CN(C)C(=O)C(=O)Nc1ccccc1 240690a_100000747067_100000738435 [0,2,0,0,0,0|2,0,0]=4 5572 B17R1.8310 CC(O)CN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000227577_200020598536 [0,2,0,0,0,0|2,0,0]=4 5573 B17R1.8310 CC(O)CN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000227577_200020598536 [0,2,0,0,0,0|2,0,0]=4 5574 B17R1.8310 CC(O)CN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000227577_100020889036 [0,2,0,0,0,0|2,0,0]=4 5575 B17R1.9293 CC(C)CCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000210312 [0,2,0,0,0,0|2,0,0]=4 5576 B17R1.9293 CC(C)CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000181311_100000239700 [0,2,0,0,0,0|1,0,1]=4 5577 B17R1.9293 CC(C)CNC(=O)C(=O)C(C)c1ccccc1 1458a_200011297155_100000230085 [0,2,0,0,0,0|1,0,1]=4 5578 B17R1.9293 CC(C)CNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_200011297155 [0,2,0,0,0,0|2,0,0]=4 5579 B17R1.9293 CC(C)CNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210953_100011297159 [0,2,0,0,0,0|2,0,0]=4 5580 B17R1.9293 CC(C)CNC(=O)C(=O)N(C)c1ccccc1 22a_100000210012_200011297155 [0,2,0,0,0,0|2,0,0]=4 5581 B17R1.9293 CC(C)CNC(=O)C(=O)N(C)c1ccccc1 240690a_100000210953_100011297159 [0,2,0,0,0,0|2,0,0]=4 5582 B17R1.9293 CC(C)CNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000230289 [0,2,0,0,0,0|1,0,1]=4 5583 B17R1.14407 CC(C)CCC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100000210312 [0,2,0,0,0,0|2,0,0]=4 5584 B17R1.14407 CC(C)CCC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_100000210312 [0,2,0,0,0,0|2,0,0]=4 5585 B17R1.14407 CC(C)CNC(=O)C(=O)Cc1cccc(c1)Br 1458a_200011297155_100000211773 [0,2,0,0,0,0|1,0,1]=4 5586 B17R1.14407 CC(C)CNC(=O)C(=O)Cc1cccc(c1)Cl 1458a_200011297155_100000181238 [0,2,0,0,0,0|1,0,1]=4 5587 B17R1.14407 CC(C)CNC(=O)C(=O)Cc1cccc(c1)F 1458a_200011297155_100000230114 [0,2,0,0,0,0|1,0,1]=4 5588 B17R1.14407 CC(C)CNC(=O)C(=O)Cc1cccc(c1)I 1458a_200011297155_100011218688 [0,2,0,0,0,0|1,0,1]=4 5589 B17R1.14407 CC(C)CNC(=O)C(=O)Cc1cccc(c1)O 1458a_200011297155_100011660834 [0,2,0,0,0,0|1,0,1]=4 5590 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_200011297155 [0,2,0,0,0,0|2,0,0]=4 5591 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_200011297155 [0,2,0,0,0,0|2,0,0]=4 5592 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)Br 527a_100000210019_200011297155 [0,2,0,0,0,0|2,0,0]=4 5593 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_200011297155 [0,2,0,0,0,0|2,0,0]=4 5594 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_200011297155 [0,2,0,0,0,0|2,0,0]=4 5595 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100000210953_200011297299 [0,2,0,0,0,0|2,0,0]=4 5596 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_200011297155 [0,2,0,0,0,0|2,0,0]=4 5597 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_200011297155 [0,2,0,0,0,0|2,0,0]=4 5598 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)F 240690a_100000210953_200011297300 [0,2,0,0,0,0|2,0,0]=4 5599 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)F 527a_100000210047_200011297155 [0,2,0,0,0,0|2,0,0]=4 5600 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_200011297155 [0,2,0,0,0,0|2,0,0]=4 5601 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_200011297155 [0,2,0,0,0,0|2,0,0]=4 5602 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)I 527a_100000211102_200011297155 [0,2,0,0,0,0|2,0,0]=4 5603 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_200011297155 [0,2,0,0,0,0|2,0,0]=4 5604 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_200011297155 [0,2,0,0,0,0|2,0,0]=4 5605 B17R1.14407 CC(C)CNC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_200011297155 [0,2,0,0,0,0|2,0,0]=4 5606 B17R1.14407 Cc1cccc(c1)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000211840 [0,2,0,0,0,0|1,0,1]=4 5607 B17R1.14407 Cc1cccc(c1)NC(=O)C(=O)NCC(C)C 1626a_100000188690_200011297155 [0,2,0,0,0,0|2,0,0]=4 5608 B17R1.14407 Cc1cccc(c1)NC(=O)C(=O)NCC(C)C 22a_100000188690_200011297155 [0,2,0,0,0,0|2,0,0]=4 5609 B17R1.14407 Cc1cccc(c1)NC(=O)C(=O)NCC(C)C 527a_100000188690_200011297155 [0,2,0,0,0,0|2,0,0]=4 5610 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)CCC(C)(C)C 1458a_100016990649_100000755188 [0,2,0,0,0,0|1,0,0]=3 5611 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)CC[N+](C)(C)C 1458a_100016990649_100000085578 [0,2,0,0,0,0|2,0,0]=4 5612 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)CC[Si](C)(C)C 1458a_100016990649_200000733723 [0,2,0,0,0,0|1,1,0]=4 5613 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)C 11a_100000743828_100016990649 [0,2,0,0,0,0|1,0,0]=3 5614 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)C 1626a_100000743828_100016990649 [0,2,0,0,0,0|1,0,0]=3 5615 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)C 527a_100000743828_100016990649 [0,2,0,0,0,0|1,0,0]=3 5616 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)F 11a_100020643315_100016990649 [0,2,0,0,0,0|1,0,0]=3 5617 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)F 1626a_100020643315_100016990649 [0,2,0,0,0,0|1,0,0]=3 5618 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)F 527a_100020643315_100016990649 [0,2,0,0,0,0|1,0,0]=3 5619 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)O 1626a_100000751335_100016990649 [0,2,0,0,0,0|1,0,0]=3 5620 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(C)O 527a_100000751335_100016990649 [0,2,0,0,0,0|1,0,0]=3 5621 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(F)F 11a_100000731000_100016990649 [0,2,0,0,0,0|2,0,0]=4 5622 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(F)F 1626a_100000731000_100016990649 [0,2,0,0,0,0|2,0,0]=4 5623 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NCC(C)(F)F 527a_100000731000_100016990649 [0,2,0,0,0,0|2,0,0]=4 5624 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NC[Si](C)(C)C 11a_102516607284_100016990649 [0,2,0,0,0,0|1,1,0]=4 5625 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NC[Si](C)(C)C 1626a_102516607284_100016990649 [0,2,0,0,0,0|1,1,0]=4 5626 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NC[Si](C)(C)C 527a_102516607284_100016990649 [0,2,0,0,0,0|1,1,0]=4 5627 B17R1.16665 C/C(=C\c1ccccc1)/C(=O)NNC(C)(C)C 22a_100000725372_100016990649 [0,2,0,0,0,0|2,0,0]=4 5628 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)CCC(C)(C)C 1458a_100025712827_100000755188 [0,2,0,0,0,0|2,0,0]=4 5629 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)C 11a_100000743828_100025712827 [0,2,0,0,0,0|2,0,0]=4 5630 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)C 1626a_100000743828_100025712827 [0,2,0,0,0,0|2,0,0]=4 5631 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)C 527a_100000743828_100025712827 [0,2,0,0,0,0|2,0,0]=4 5632 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)F 11a_100020643315_100025712827 [0,2,0,0,0,0|2,0,0]=4 5633 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)F 1626a_100020643315_100025712827 [0,2,0,0,0,0|2,0,0]=4 5634 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)F 527a_100020643315_100025712827 [0,2,0,0,0,0|2,0,0]=4 5635 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)O 1626a_100000751335_100025712827 [0,2,0,0,0,0|2,0,0]=4 5636 B17R1.16665 C/C(=C\c1ccccn1)/C(=O)NCC(C)(C)O 527a_100000751335_100025712827 [0,2,0,0,0,0|2,0,0]=4 5637 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)C 11a_100000743828_100000066491 [0,2,0,0,0,0|1,0,1]=4 5638 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)C 1626a_100000743828_100000066491 [0,2,0,0,0,0|1,0,1]=4 5639 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)F 11a_100020643315_100000066491 [0,2,0,0,0,0|1,0,1]=4 5640 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)F 1626a_100020643315_100000066491 [0,2,0,0,0,0|1,0,1]=4 5641 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)O 1626a_100000751335_100000066491 [0,2,0,0,0,0|1,0,1]=4 5642 B17R1.16665 CC(C)(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000755188 [0,2,0,0,0,0|1,0,0]=3 5643 B17R1.16665 CC(C)(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000755188 [0,2,0,0,0,0|1,0,0]=3 5644 B17R1.16665 CC(C)(C)CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000755188 [0,2,0,0,0,0|2,0,0]=4 5645 B17R1.16665 CC(C)(C)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000755188 [0,2,0,0,0,0|2,0,0]=4 5646 B17R1.16665 CC(C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000743828_200020598536 [0,2,0,0,0,0|1,0,0]=3 5647 B17R1.16665 CC(C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000743828_200020598536 [0,2,0,0,0,0|1,0,0]=3 5648 B17R1.16665 CC(C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000743828_200020598536 [0,2,0,0,0,0|1,0,0]=3 5649 B17R1.16665 CC(C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000743828_200020598536 [0,2,0,0,0,0|1,0,0]=3 5650 B17R1.16665 CC(C)(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000743828_100020889036 [0,2,0,0,0,0|1,0,0]=3 5651 B17R1.16665 CC(C)(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000743828_100020889036 [0,2,0,0,0,0|1,0,0]=3 5652 B17R1.16665 CC(C)(C)CNC(=O)C(=Cc1cccnc1)F 11a_100000743828_100000731744 [0,2,0,0,0,0|2,0,0]=4 5653 B17R1.16665 CC(C)(C)CNC(=O)C(=Cc1cccnc1)F 240690a_100000743828_100000731744 [0,2,0,0,0,0|2,0,0]=4 5654 B17R1.16665 CC(C)(C)CNC(=O)C(=Cc1cccnc1)F 527a_100000743828_100000731744 [0,2,0,0,0,0|2,0,0]=4 5655 B17R1.16665 CC(C)(C)CNC(=O)C(=O)Nc1ccccc1 240690a_100000743828_100000738435 [0,2,0,0,0,0|2,0,0]=4 5656 B17R1.16665 CC(C)(C)NNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000725372_200020598536 [0,2,0,0,0,0|2,0,0]=4 5657 B17R1.16665 CC(C)(C)NNC(=O)/C(=C\c1ccccc1)/F 22a_100000725372_100020889036 [0,2,0,0,0,0|2,0,0]=4 5658 B17R1.16665 CC(C)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020643315_200020598536 [0,2,0,0,0,0|1,0,0]=3 5659 B17R1.16665 CC(C)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020643315_200020598536 [0,2,0,0,0,0|1,0,0]=3 5660 B17R1.16665 CC(C)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020643315_200020598536 [0,2,0,0,0,0|1,0,0]=3 5661 B17R1.16665 CC(C)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020643315_200020598536 [0,2,0,0,0,0|1,0,0]=3 5662 B17R1.16665 CC(C)(F)CNC(=O)/C(=C\c1ccccc1)/F 11a_100020643315_100020889036 [0,2,0,0,0,0|1,0,0]=3 5663 B17R1.16665 CC(C)(F)CNC(=O)/C(=C\c1ccccc1)/F 527a_100020643315_100020889036 [0,2,0,0,0,0|1,0,0]=3 5664 B17R1.16665 CC(C)(F)CNC(=O)C(=Cc1cccnc1)F 11a_100020643315_100000731744 [0,2,0,0,0,0|2,0,0]=4 5665 B17R1.16665 CC(C)(F)CNC(=O)C(=Cc1cccnc1)F 240690a_100020643315_100000731744 [0,2,0,0,0,0|2,0,0]=4 5666 B17R1.16665 CC(C)(F)CNC(=O)C(=Cc1cccnc1)F 527a_100020643315_100000731744 [0,2,0,0,0,0|2,0,0]=4 5667 B17R1.16665 CC(C)(F)CNC(=O)C(=O)Nc1ccccc1 240690a_100020643315_100000738435 [0,2,0,0,0,0|2,0,0]=4 5668 B17R1.16665 CC(C)(O)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000751335_200020598536 [0,2,0,0,0,0|1,0,0]=3 5669 B17R1.16665 CC(C)(O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000751335_200020598536 [0,2,0,0,0,0|1,0,0]=3 5670 B17R1.16665 CC(C)(O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000751335_200020598536 [0,2,0,0,0,0|1,0,0]=3 5671 B17R1.16665 CC(C)(O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000751335_100020889036 [0,2,0,0,0,0|1,0,0]=3 5672 B17R1.16665 CC(C)(O)CNC(=O)C(=Cc1cccnc1)F 240690a_100000751335_100000731744 [0,2,0,0,0,0|2,0,0]=4 5673 B17R1.16665 CC(C)(O)CNC(=O)C(=Cc1cccnc1)F 527a_100000751335_100000731744 [0,2,0,0,0,0|2,0,0]=4 5674 B17R1.16665 CC(C)(O)CNC(=O)C(=O)Nc1ccccc1 240690a_100000751335_100000738435 [0,2,0,0,0,0|2,0,0]=4 5675 B17R1.16665 CC(F)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000731000_200020598536 [0,2,0,0,0,0|2,0,0]=4 5676 B17R1.16665 CC(F)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000731000_200020598536 [0,2,0,0,0,0|2,0,0]=4 5677 B17R1.16665 CC(F)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000731000_200020598536 [0,2,0,0,0,0|2,0,0]=4 5678 B17R1.16665 CC(F)(F)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000731000_200020598536 [0,2,0,0,0,0|2,0,0]=4 5679 B17R1.16665 CC(F)(F)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000731000_100020889036 [0,2,0,0,0,0|2,0,0]=4 5680 B17R1.16665 CC(F)(F)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000731000_100020889036 [0,2,0,0,0,0|2,0,0]=4 5681 B17R1.16665 C[N+](C)(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000085578 [0,2,0,0,0,0|2,0,0]=4 5682 B17R1.16665 C[N+](C)(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000085578 [0,2,0,0,0,0|2,0,0]=4 5683 B17R1.16665 C[Si](C)(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000733723 [0,2,0,0,0,0|1,1,0]=4 5684 B17R1.16665 C[Si](C)(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000733723 [0,2,0,0,0,0|1,1,0]=4 5685 B17R1.16665 C[Si](C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_102516607284_200020598536 [0,2,0,0,0,0|1,1,0]=4 5686 B17R1.16665 C[Si](C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_102516607284_200020598536 [0,2,0,0,0,0|1,1,0]=4 5687 B17R1.16665 C[Si](C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_102516607284_200020598536 [0,2,0,0,0,0|1,1,0]=4 5688 B17R1.16665 C[Si](C)(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_102516607284_200020598536 [0,2,0,0,0,0|1,1,0]=4 5689 B17R1.16665 C[Si](C)(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_102516607284_100020889036 [0,2,0,0,0,0|1,1,0]=4 5690 B17R1.16665 C[Si](C)(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_102516607284_100020889036 [0,2,0,0,0,0|1,1,0]=4 5691 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000753921_100000210462 [0,2,0,0,0,0|1,0,0]=3 5692 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000753921_100000210462 [0,2,0,0,0,0|1,0,0]=3 5693 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccn1 11a_100000753921_100000740811 [0,2,0,0,0,0|2,0,0]=4 5694 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccn1 240690a_100000753921_100000740811 [0,2,0,0,0,0|2,0,0]=4 5695 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1cccnc1 11a_100000753921_100000735890 [0,2,0,0,0,0|2,0,0]=4 5696 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1cccnc1 240690a_100000753921_100000735890 [0,2,0,0,0,0|2,0,0]=4 5697 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccncc1 240690a_100000753921_100000682801 [0,2,0,0,0,0|2,0,0]=4 5698 B17R1.1357 CC(=CC(=O)NCC(C)CO)c1ccccc1 240690a_100000744482_100000743005 [0,2,0,0,0,0|1,0,0]=3 5699 B17R1.1357 CC(=CC(=O)NCC(C)CO)c1ccccc1 527a_100000744482_100000743005 [0,2,0,0,0,0|1,0,0]=3 5700 B17R1.1357 CC(=CC(=O)NC[C@@H](F)CO)c1ccccc1 240690a_100015665980_100000743005 [0,2,0,0,0,0|2,0,0]=4 5701 B17R1.1357 CC(=CC(=O)NC[C@@H](F)CO)c1ccccc1 527a_100015665980_100000743005 [0,2,0,0,0,0|2,0,0]=4 5702 B17R1.1357 CC(=CC(=O)NC[C@H](O)CO)c1ccccc1 240690a_100020644852_100000743005 [0,2,0,0,0,0|2,0,0]=4 5703 B17R1.1357 CC(=CC(=O)NC[C@H](O)CO)c1ccccc1 527a_100020644852_100000743005 [0,2,0,0,0,0|2,0,0]=4 5704 B17R1.1357 CCC(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000701222_100000211460 [0,2,0,0,0,0|1,0,1]=4 5705 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 11a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 5706 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 1626a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 5707 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 240690a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 5708 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 527a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 5709 B17R1.1357 CCC(C)NNC(=O)C=C(C)c1ccccc1 22a_100000718999_100000743005 [0,2,0,0,0,0|2,0,0]=4 5710 B17R1.1357 CCC(O)CNC(=O)C=C(C)c1ccccc1 11a_100011218483_100000743005 [0,2,0,0,0,0|2,0,0]=4 5711 B17R1.1357 CCC(O)CNC(=O)C=C(C)c1ccccc1 240690a_100011218483_100000743005 [0,2,0,0,0,0|2,0,0]=4 5712 B17R1.1357 CCC(O)CNC(=O)C=C(C)c1ccccc1 527a_100011218483_100000743005 [0,2,0,0,0,0|2,0,0]=4 5713 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 11a_100020591295_100000743005 [0,2,0,0,0,0|1,0,0]=3 5714 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 1626a_100020591295_100000743005 [0,2,0,0,0,0|1,0,0]=3 5715 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 240690a_100020591295_100000743005 [0,2,0,0,0,0|1,0,0]=3 5716 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 527a_100020591295_100000743005 [0,2,0,0,0,0|1,0,0]=3 5717 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000744482_100016258244 [0,2,0,0,0,0|1,0,0]=3 5718 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000744482_100000184502 [0,2,0,0,0,0|1,0,0]=3 5719 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)F 240690a_100000744482_100000718793 [0,2,0,0,0,0|1,0,0]=3 5720 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)I 240690a_100000744482_100020647043 [0,2,0,0,0,0|1,0,0]=3 5721 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100020588543_100016258244 [0,2,0,0,0,0|1,0,0]=3 5722 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100020588543_100016258244 [0,2,0,0,0,0|1,0,0]=3 5723 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100020588543_100016258244 [0,2,0,0,0,0|1,0,0]=3 5724 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)C 11a_100020588543_100000690095 [0,2,0,0,0,0|1,0,0]=3 5725 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)C 1626a_100020588543_100000690095 [0,2,0,0,0,0|1,0,0]=3 5726 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)C 240690a_100020588543_100000690095 [0,2,0,0,0,0|1,0,0]=3 5727 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100020588543_100000184502 [0,2,0,0,0,0|1,0,0]=3 5728 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100020588543_100000184502 [0,2,0,0,0,0|1,0,0]=3 5729 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100020588543_100000184502 [0,2,0,0,0,0|1,0,0]=3 5730 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)F 11a_100020588543_100000718793 [0,2,0,0,0,0|1,0,0]=3 5731 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100020588543_100000718793 [0,2,0,0,0,0|1,0,0]=3 5732 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100020588543_100000718793 [0,2,0,0,0,0|1,0,0]=3 5733 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)I 11a_100020588543_100020647043 [0,2,0,0,0,0|1,0,0]=3 5734 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100020588543_100020647043 [0,2,0,0,0,0|1,0,0]=3 5735 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100020588543_100020647043 [0,2,0,0,0,0|1,0,0]=3 5736 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)Br 22a_100000718999_100016258244 [0,2,0,0,0,0|2,0,0]=4 5737 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)C 22a_100000718999_100000690095 [0,2,0,0,0,0|2,0,0]=4 5738 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)Cl 22a_100000718999_100000184502 [0,2,0,0,0,0|2,0,0]=4 5739 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)F 22a_100000718999_100000718793 [0,2,0,0,0,0|2,0,0]=4 5740 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)I 22a_100000718999_100020647043 [0,2,0,0,0,0|2,0,0]=4 5741 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)O 22a_100000718999_100102525460 [0,2,0,0,0,0|2,0,0]=4 5742 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Br 11a_100011218483_100016258244 [0,2,0,0,0,0|2,0,0]=4 5743 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100011218483_100016258244 [0,2,0,0,0,0|2,0,0]=4 5744 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)C 11a_100011218483_100000690095 [0,2,0,0,0,0|2,0,0]=4 5745 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)C 240690a_100011218483_100000690095 [0,2,0,0,0,0|2,0,0]=4 5746 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100011218483_100000184502 [0,2,0,0,0,0|2,0,0]=4 5747 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100011218483_100000184502 [0,2,0,0,0,0|2,0,0]=4 5748 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)F 11a_100011218483_100000718793 [0,2,0,0,0,0|2,0,0]=4 5749 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)F 240690a_100011218483_100000718793 [0,2,0,0,0,0|2,0,0]=4 5750 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)I 11a_100011218483_100020647043 [0,2,0,0,0,0|2,0,0]=4 5751 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)I 240690a_100011218483_100020647043 [0,2,0,0,0,0|2,0,0]=4 5752 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Br 11a_100020591295_100016258244 [0,2,0,0,0,0|1,0,0]=3 5753 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100020591295_100016258244 [0,2,0,0,0,0|1,0,0]=3 5754 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100020591295_100016258244 [0,2,0,0,0,0|1,0,0]=3 5755 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)C 11a_100020591295_100000690095 [0,2,0,0,0,0|1,0,0]=3 5756 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)C 1626a_100020591295_100000690095 [0,2,0,0,0,0|1,0,0]=3 5757 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)C 240690a_100020591295_100000690095 [0,2,0,0,0,0|1,0,0]=3 5758 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100020591295_100000184502 [0,2,0,0,0,0|1,0,0]=3 5759 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100020591295_100000184502 [0,2,0,0,0,0|1,0,0]=3 5760 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100020591295_100000184502 [0,2,0,0,0,0|1,0,0]=3 5761 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)F 11a_100020591295_100000718793 [0,2,0,0,0,0|1,0,0]=3 5762 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)F 1626a_100020591295_100000718793 [0,2,0,0,0,0|1,0,0]=3 5763 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)F 240690a_100020591295_100000718793 [0,2,0,0,0,0|1,0,0]=3 5764 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)I 11a_100020591295_100020647043 [0,2,0,0,0,0|1,0,0]=3 5765 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)I 1626a_100020591295_100020647043 [0,2,0,0,0,0|1,0,0]=3 5766 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)I 240690a_100020591295_100020647043 [0,2,0,0,0,0|1,0,0]=3 5767 B17R1.1403 Cc1cccc(c1)C=CC(=O)NCC(C)CO 240690a_100000744482_100000690095 [0,2,0,0,0,0|1,0,0]=3 5768 B17R1.1403 Cc1cccc(c1)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000690095 [0,2,0,0,0,0|2,0,0]=4 5769 B17R1.1403 Cc1cccc(c1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000690095 [0,2,0,0,0,0|2,0,0]=4 5770 B17R1.1403 O=C(C=Cc1cccc(c1)Br)NC[C@@H](F)CO 240690a_100015665980_100016258244 [0,2,0,0,0,0|2,0,0]=4 5771 B17R1.1403 O=C(C=Cc1cccc(c1)Br)NC[C@H](O)CO 240690a_100020644852_100016258244 [0,2,0,0,0,0|2,0,0]=4 5772 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@@H](F)CO 240690a_100015665980_100000184502 [0,2,0,0,0,0|2,0,0]=4 5773 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@H](O)CO 240690a_100020644852_100000184502 [0,2,0,0,0,0|2,0,0]=4 5774 B17R1.1403 O=C(C=Cc1cccc(c1)F)NC[C@@H](F)CO 240690a_100015665980_100000718793 [0,2,0,0,0,0|2,0,0]=4 5775 B17R1.1403 O=C(C=Cc1cccc(c1)F)NC[C@H](O)CO 240690a_100020644852_100000718793 [0,2,0,0,0,0|2,0,0]=4 5776 B17R1.1403 O=C(C=Cc1cccc(c1)I)NC[C@@H](F)CO 240690a_100015665980_100020647043 [0,2,0,0,0,0|2,0,0]=4 5777 B17R1.1403 O=C(C=Cc1cccc(c1)I)NC[C@H](O)CO 240690a_100020644852_100020647043 [0,2,0,0,0,0|2,0,0]=4 5778 B17R1.13184 CC(C)(CO)CNC(=O)C=Cc1ccccn1 240690a_100020635058_100000740811 [0,2,0,0,0,0|2,0,0]=4 5779 B17R1.13184 CC(C)(CO)CNC(=O)C=Cc1cccnc1 240690a_100020635058_100000735890 [0,2,0,0,0,0|2,0,0]=4 5780 B17R1.13184 CC(C)(CO)CNC(=O)C=Cc1ccncc1 240690a_100020635058_100000682801 [0,2,0,0,0,0|2,0,0]=4 5781 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1ccccc1 11a_100000763424_100000210462 [0,2,0,0,0,0|1,0,0]=3 5782 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1ccccc1 1626a_100000763424_100000210462 [0,2,0,0,0,0|1,0,0]=3 5783 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1ccccn1 11a_100000763424_100000740811 [0,2,0,0,0,0|2,0,0]=4 5784 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1ccccn1 240690a_100000763424_100000740811 [0,2,0,0,0,0|2,0,0]=4 5785 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1cccnc1 11a_100000763424_100000735890 [0,2,0,0,0,0|2,0,0]=4 5786 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1cccnc1 240690a_100000763424_100000735890 [0,2,0,0,0,0|2,0,0]=4 5787 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1ccncc1 240690a_100000763424_100000682801 [0,2,0,0,0,0|2,0,0]=4 5788 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccc1 11a_100102946423_100000210462 [0,2,0,0,0,0|1,0,0]=3 5789 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccc1 1626a_100102946423_100000210462 [0,2,0,0,0,0|1,0,0]=3 5790 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccn1 11a_100102946423_100000740811 [0,2,0,0,0,0|2,0,0]=4 5791 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccn1 240690a_100102946423_100000740811 [0,2,0,0,0,0|2,0,0]=4 5792 B17R1.19379 CCC(CC)CNC(=O)C=Cc1cccnc1 11a_100102946423_100000735890 [0,2,0,0,0,0|2,0,0]=4 5793 B17R1.19379 CCC(CC)CNC(=O)C=Cc1cccnc1 240690a_100102946423_100000735890 [0,2,0,0,0,0|2,0,0]=4 5794 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccncc1 240690a_100102946423_100000682801 [0,2,0,0,0,0|2,0,0]=4 5795 B17R1.19379 CCC(CC)NNC(=O)C=Cc1ccccc1 22a_100000756293_100000210462 [0,2,0,0,0,0|2,0,0]=4 5796 B17R1.19379 CCC(CNC(=O)C=Cc1ccccc1)OC 11a_100000731041_100000210462 [0,2,0,0,0,0|1,0,0]=3 5797 B17R1.19379 CCC(CNC(=O)C=Cc1ccccc1)OC 1626a_100000731041_100000210462 [0,2,0,0,0,0|1,0,0]=3 5798 B17R1.19379 CCC(CNC(=O)C=Cc1ccccn1)OC 11a_100000731041_100000740811 [0,2,0,0,0,0|2,0,0]=4 5799 B17R1.19379 CCC(CNC(=O)C=Cc1ccccn1)OC 240690a_100000731041_100000740811 [0,2,0,0,0,0|2,0,0]=4 5800 B17R1.19379 CCC(CNC(=O)C=Cc1cccnc1)OC 11a_100000731041_100000735890 [0,2,0,0,0,0|2,0,0]=4 5801 B17R1.19379 CCC(CNC(=O)C=Cc1cccnc1)OC 240690a_100000731041_100000735890 [0,2,0,0,0,0|2,0,0]=4 5802 B17R1.19379 CCC(CNC(=O)C=Cc1ccncc1)OC 240690a_100000731041_100000682801 [0,2,0,0,0,0|2,0,0]=4 5803 B17R1.19379 CCN(CC)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000700428 [0,2,0,0,0,0|2,0,0]=4 5804 B17R1.19379 COC(CCC(=O)C=Cc1ccccc1)OC 1458a_100000210462_100000139399 [0,2,0,0,0,0|1,0,0]=3 5805 B17R1.19379 COC(CCC(=O)C=Cc1ccccn1)OC 1458a_100000740811_100000139399 [0,2,0,0,0,0|2,0,0]=4 5806 B17R1.19379 COC(CCC(=O)C=Cc1cccnc1)OC 1458a_100000735890_100000139399 [0,2,0,0,0,0|2,0,0]=4 5807 B17R1.19379 COC(CCC(=O)C=Cc1ccncc1)OC 1458a_100000682801_100000139399 [0,2,0,0,0,0|2,0,0]=4 5808 B17R1.19379 COC(CNC(=O)C=Cc1ccccc1)OC 11a_100000210479_100000210462 [0,2,0,0,0,0|1,0,0]=3 5809 B17R1.19379 COC(CNC(=O)C=Cc1ccccc1)OC 1626a_100000210479_100000210462 [0,2,0,0,0,0|1,0,0]=3 5810 B17R1.19379 COC(CNC(=O)C=Cc1ccccn1)OC 11a_100000210479_100000740811 [0,2,0,0,0,0|2,0,0]=4 5811 B17R1.19379 COC(CNC(=O)C=Cc1ccccn1)OC 240690a_100000210479_100000740811 [0,2,0,0,0,0|2,0,0]=4 5812 B17R1.19379 COC(CNC(=O)C=Cc1cccnc1)OC 11a_100000210479_100000735890 [0,2,0,0,0,0|2,0,0]=4 5813 B17R1.19379 COC(CNC(=O)C=Cc1cccnc1)OC 240690a_100000210479_100000735890 [0,2,0,0,0,0|2,0,0]=4 5814 B17R1.19379 COC(CNC(=O)C=Cc1ccncc1)OC 240690a_100000210479_100000682801 [0,2,0,0,0,0|2,0,0]=4 5815 B17R1.26714 CC(CO)CNS(=O)(=O)C=Cc1ccccc1 40a_100000744482_100011098038 [0,2,0,0,0,0|2,0,0]=4 5816 B17R1.26714 CCC(C)CNS(=O)(=O)C=Cc1ccccc1 40a_100020588543_100011098038 [0,2,0,0,0,0|2,0,0]=4 5817 B17R1.26714 CO[C@H](C)CNS(=O)(=O)C=Cc1ccccc1 40a_100020591295_100011098038 [0,2,0,0,0,0|2,0,0]=4 5818 B17R1.36352 CC(C)C(C)NS(=O)(=O)C=Cc1ccccc1 40a_100000211541_100011098038 [0,2,0,0,0,0|2,0,0]=4 5819 B17R1.62020 CC(C)CN(C)S(=O)(=O)C=Cc1ccccc1 40a_100000747067_100011098038 [0,2,0,0,0,0|2,0,0]=4 5820 B17R1.264423 CC(C)(C)CNS(=O)(=O)C=Cc1ccccc1 40a_100000743828_100011098038 [0,2,0,0,0,0|2,0,0]=4 5821 B17R1.264423 CC(C)(F)CNS(=O)(=O)C=Cc1ccccc1 40a_100020643315_100011098038 [0,2,0,0,0,0|2,0,0]=4 5822 B17R1.264423 CC(C)(O)CNS(=O)(=O)C=Cc1ccccc1 40a_100000751335_100011098038 [0,2,0,0,0,0|2,0,0]=4 5823 B17R1.4466 CC(=CC(=O)CC(=O)C(C)C)c1ccccc1 1458a_100000743005_100000753385 [0,2,0,0,0,0|1,0,1]=4 5824 B17R1.4466 CC(=CC(=O)NC(C)C(C)C)c1ccccc1 11a_100000211541_100000743005 [0,2,0,0,0,0|1,0,0]=3 5825 B17R1.4466 CC(=CC(=O)NC(C)C(C)C)c1ccccc1 1626a_100000211541_100000743005 [0,2,0,0,0,0|1,0,0]=3 5826 B17R1.4466 CC(=CC(=O)NC(C)C(C)C)c1ccccc1 240690a_100000211541_100000743005 [0,2,0,0,0,0|1,0,0]=3 5827 B17R1.4466 CC(=CC(=O)NC(C)C(C)C)c1ccccc1 527a_100000211541_100000743005 [0,2,0,0,0,0|1,0,0]=3 5828 B17R1.8894 CC(C)C(=O)C(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100009893295 [0,2,0,0,0,0|1,0,1]=4 5829 B17R1.8894 CC(C)C(C)N(C)C(=O)C=Cc1ccccc1 11a_100000228512_100000210462 [0,2,0,0,0,0|1,0,0]=3 5830 B17R1.8894 CC(C)C(C)N(C)C(=O)C=Cc1ccccc1 1626a_100000228512_100000210462 [0,2,0,0,0,0|1,0,0]=3 5831 B17R1.8894 CC(C)C(C)N(C)C(=O)C=Cc1ccccn1 11a_100000228512_100000740811 [0,2,0,0,0,0|2,0,0]=4 5832 B17R1.8894 CC(C)C(C)N(C)C(=O)C=Cc1ccccn1 240690a_100000228512_100000740811 [0,2,0,0,0,0|2,0,0]=4 5833 B17R1.8894 CC(C)C(C)N(C)C(=O)C=Cc1cccnc1 11a_100000228512_100000735890 [0,2,0,0,0,0|2,0,0]=4 5834 B17R1.8894 CC(C)C(C)N(C)C(=O)C=Cc1cccnc1 240690a_100000228512_100000735890 [0,2,0,0,0,0|2,0,0]=4 5835 B17R1.8894 CC(C)C(C)N(C)C(=O)C=Cc1ccncc1 240690a_100000228512_100000682801 [0,2,0,0,0,0|2,0,0]=4 5836 B17R1.14358 CC(C)C(=O)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000753385 [0,2,0,0,0,0|1,0,1]=4 5837 B17R1.14358 CC(C)C(=O)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000753385 [0,2,0,0,0,0|1,0,1]=4 5838 B17R1.14358 CC(C)C(=O)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000753385 [0,2,0,0,0,0|1,0,1]=4 5839 B17R1.14358 CC(C)C(=O)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000753385 [0,2,0,0,0,0|1,0,1]=4 5840 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)Br 11a_100000211541_100016258244 [0,2,0,0,0,0|1,0,0]=3 5841 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)Br 1626a_100000211541_100016258244 [0,2,0,0,0,0|1,0,0]=3 5842 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)Br 240690a_100000211541_100016258244 [0,2,0,0,0,0|1,0,0]=3 5843 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)Cl 11a_100000211541_100000184502 [0,2,0,0,0,0|1,0,0]=3 5844 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100000211541_100000184502 [0,2,0,0,0,0|1,0,0]=3 5845 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000211541_100000184502 [0,2,0,0,0,0|1,0,0]=3 5846 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)F 11a_100000211541_100000718793 [0,2,0,0,0,0|1,0,0]=3 5847 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)F 1626a_100000211541_100000718793 [0,2,0,0,0,0|1,0,0]=3 5848 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)F 240690a_100000211541_100000718793 [0,2,0,0,0,0|1,0,0]=3 5849 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)I 11a_100000211541_100020647043 [0,2,0,0,0,0|1,0,0]=3 5850 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)I 1626a_100000211541_100020647043 [0,2,0,0,0,0|1,0,0]=3 5851 B17R1.14358 CC(C)C(C)NC(=O)C=Cc1cccc(c1)I 240690a_100000211541_100020647043 [0,2,0,0,0,0|1,0,0]=3 5852 B17R1.14358 CC(C)N(C)CC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200015183747 [0,2,0,0,0,0|2,0,0]=4 5853 B17R1.14358 CC(C)N(C)CC(=O)C=Cc1cccc(c1)F 6a_100000210812_200015183747 [0,2,0,0,0,0|2,0,0]=4 5854 B17R1.14358 CC(C)N(C)CC(=O)C=Cc1cccc(c1)I 6a_100000014684_200015183747 [0,2,0,0,0,0|2,0,0]=4 5855 B17R1.14358 Cc1cccc(c1)C=CC(=O)CC(=O)C(C)C 1458a_100000690095_100000753385 [0,2,0,0,0,0|1,0,1]=4 5856 B17R1.14358 Cc1cccc(c1)C=CC(=O)NC(C)C(C)C 11a_100000211541_100000690095 [0,2,0,0,0,0|1,0,0]=3 5857 B17R1.14358 Cc1cccc(c1)C=CC(=O)NC(C)C(C)C 1626a_100000211541_100000690095 [0,2,0,0,0,0|1,0,0]=3 5858 B17R1.14358 Cc1cccc(c1)C=CC(=O)NC(C)C(C)C 240690a_100000211541_100000690095 [0,2,0,0,0,0|1,0,0]=3 5859 B17R1.19899 CC(C)[C@H](CO)NC(=O)C=Cc1ccccn1 240690a_100011830312_100000740811 [0,2,0,0,0,0|2,0,0]=4 5860 B17R1.19899 CC(C)[C@H](CO)NC(=O)C=Cc1cccnc1 240690a_100011830312_100000735890 [0,2,0,0,0,0|2,0,0]=4 5861 B17R1.19899 CC(C)[C@H](CO)NC(=O)C=Cc1ccncc1 240690a_100011830312_100000682801 [0,2,0,0,0,0|2,0,0]=4 5862 B17R1.19899 CCC(NC(=O)C=Cc1ccccc1)C(C)C 11a_100000745074_100000210462 [0,2,0,0,0,0|1,0,0]=3 5863 B17R1.19899 CCC(NC(=O)C=Cc1ccccc1)C(C)C 1626a_100000745074_100000210462 [0,2,0,0,0,0|1,0,0]=3 5864 B17R1.19899 CCC(NC(=O)C=Cc1ccccn1)C(C)C 11a_100000745074_100000740811 [0,2,0,0,0,0|2,0,0]=4 5865 B17R1.19899 CCC(NC(=O)C=Cc1ccccn1)C(C)C 240690a_100000745074_100000740811 [0,2,0,0,0,0|2,0,0]=4 5866 B17R1.19899 CCC(NC(=O)C=Cc1cccnc1)C(C)C 11a_100000745074_100000735890 [0,2,0,0,0,0|2,0,0]=4 5867 B17R1.19899 CCC(NC(=O)C=Cc1cccnc1)C(C)C 240690a_100000745074_100000735890 [0,2,0,0,0,0|2,0,0]=4 5868 B17R1.19899 CCC(NC(=O)C=Cc1ccncc1)C(C)C 240690a_100000745074_100000682801 [0,2,0,0,0,0|2,0,0]=4 5869 B17R1.19899 CC[C@H](NC(=O)C=Cc1ccccc1)[C@@H](C)O 11a_100161114882_100000210462 [0,2,0,0,0,0|2,0,0]=4 5870 B17R1.19899 CC[C@H](NC(=O)C=Cc1ccccc1)[C@@H](C)O 1626a_100161114882_100000210462 [0,2,0,0,0,0|2,0,0]=4 5871 B17R1.33281 CC(C)(C)C(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210923 [0,2,0,0,0,0|1,0,1]=4 5872 B17R1.33281 C[C@@H](NC(=O)C=Cc1ccccc1)C(C)(C)C 11a_100025703359_100000210462 [0,2,0,0,0,0|1,0,0]=3 5873 B17R1.33281 C[C@@H](NC(=O)C=Cc1ccccc1)C(C)(C)C 1626a_100025703359_100000210462 [0,2,0,0,0,0|1,0,0]=3 5874 B17R1.33281 C[C@@H](NC(=O)C=Cc1ccccn1)C(C)(C)C 11a_100025703359_100000740811 [0,2,0,0,0,0|2,0,0]=4 5875 B17R1.33281 C[C@@H](NC(=O)C=Cc1ccccn1)C(C)(C)C 240690a_100025703359_100000740811 [0,2,0,0,0,0|2,0,0]=4 5876 B17R1.33281 C[C@@H](NC(=O)C=Cc1cccnc1)C(C)(C)C 11a_100025703359_100000735890 [0,2,0,0,0,0|2,0,0]=4 5877 B17R1.33281 C[C@@H](NC(=O)C=Cc1cccnc1)C(C)(C)C 240690a_100025703359_100000735890 [0,2,0,0,0,0|2,0,0]=4 5878 B17R1.33281 C[C@@H](NC(=O)C=Cc1ccncc1)C(C)(C)C 240690a_100025703359_100000682801 [0,2,0,0,0,0|2,0,0]=4 5879 B17R1.33281 C[C@H](NC(=O)C=Cc1ccccc1)C(C)(C)O 11a_100025708725_100000210462 [0,2,0,0,0,0|1,0,0]=3 5880 B17R1.33281 C[C@H](NC(=O)C=Cc1ccccc1)C(C)(C)O 1626a_100025708725_100000210462 [0,2,0,0,0,0|1,0,0]=3 5881 B17R1.33281 C[C@H](NC(=O)C=Cc1ccccn1)C(C)(C)O 11a_100025708725_100000740811 [0,2,0,0,0,0|2,0,0]=4 5882 B17R1.33281 C[C@H](NC(=O)C=Cc1ccccn1)C(C)(C)O 240690a_100025708725_100000740811 [0,2,0,0,0,0|2,0,0]=4 5883 B17R1.33281 C[C@H](NC(=O)C=Cc1cccnc1)C(C)(C)O 11a_100025708725_100000735890 [0,2,0,0,0,0|2,0,0]=4 5884 B17R1.33281 C[C@H](NC(=O)C=Cc1cccnc1)C(C)(C)O 240690a_100025708725_100000735890 [0,2,0,0,0,0|2,0,0]=4 5885 B17R1.33281 C[C@H](NC(=O)C=Cc1ccncc1)C(C)(C)O 240690a_100025708725_100000682801 [0,2,0,0,0,0|2,0,0]=4 5886 B17R1.103627 CC(C)C(C)(C)NC(=O)C=Cc1ccccc1 11a_200160471154_100000210462 [0,2,0,0,0,0|1,0,0]=3 5887 B17R1.103627 CC(C)C(C)(C)NC(=O)C=Cc1ccccc1 1626a_200160471154_100000210462 [0,2,0,0,0,0|1,0,0]=3 5888 B17R1.103627 CC(C)C(C)(C)NC(=O)C=Cc1ccccn1 11a_200160471154_100000740811 [0,2,0,0,0,0|2,0,0]=4 5889 B17R1.103627 CC(C)C(C)(C)NC(=O)C=Cc1ccccn1 240690a_200160471154_100000740811 [0,2,0,0,0,0|2,0,0]=4 5890 B17R1.103627 CC(C)C(C)(C)NC(=O)C=Cc1cccnc1 11a_200160471154_100000735890 [0,2,0,0,0,0|2,0,0]=4 5891 B17R1.103627 CC(C)C(C)(C)NC(=O)C=Cc1cccnc1 240690a_200160471154_100000735890 [0,2,0,0,0,0|2,0,0]=4 5892 B17R1.103627 CC(C)C(C)(C)NC(=O)C=Cc1ccncc1 240690a_200160471154_100000682801 [0,2,0,0,0,0|2,0,0]=4 5893 B17R1.103627 CC(C)S(=O)(=O)NC(=O)C=Cc1ccccc1 2740a_100000746418_100000210462 [0,2,0,0,0,0|2,0,0]=4 5894 B17R1.2814 CCN(CC(C)C)C(=O)C=Cc1ccccc1 11a_100000738554_100000210462 [0,2,0,0,0,0|1,0,0]=3 5895 B17R1.2814 CCN(CC(C)C)C(=O)C=Cc1ccccc1 1626a_100000738554_100000210462 [0,2,0,0,0,0|1,0,0]=3 5896 B17R1.2814 CCN(CC(C)C)C(=O)C=Cc1ccccn1 11a_100000738554_100000740811 [0,2,0,0,0,0|2,0,0]=4 5897 B17R1.2814 CCN(CC(C)C)C(=O)C=Cc1ccccn1 240690a_100000738554_100000740811 [0,2,0,0,0,0|2,0,0]=4 5898 B17R1.2814 CCN(CC(C)C)C(=O)C=Cc1cccnc1 11a_100000738554_100000735890 [0,2,0,0,0,0|2,0,0]=4 5899 B17R1.2814 CCN(CC(C)C)C(=O)C=Cc1cccnc1 240690a_100000738554_100000735890 [0,2,0,0,0,0|2,0,0]=4 5900 B17R1.2814 CCN(CC(C)C)C(=O)C=Cc1ccncc1 240690a_100000738554_100000682801 [0,2,0,0,0,0|2,0,0]=4 5901 B17R1.8299 CC(=CC(=O)C(C)CC(C)C)c1ccccc1 1458a_100000743005_100000731052 [0,2,0,0,0,0|1,0,0]=3 5902 B17R1.8299 CC(=CC(=O)N(C)CC(C)C)c1ccccc1 11a_100000747067_100000743005 [0,2,0,0,0,0|1,0,0]=3 5903 B17R1.8299 CC(=CC(=O)N(C)CC(C)C)c1ccccc1 1626a_100000747067_100000743005 [0,2,0,0,0,0|1,0,0]=3 5904 B17R1.8299 CC(=CC(=O)N(C)CC(C)C)c1ccccc1 240690a_100000747067_100000743005 [0,2,0,0,0,0|1,0,0]=3 5905 B17R1.8299 CC(=CC(=O)N(C)CC(C)C)c1ccccc1 527a_100000747067_100000743005 [0,2,0,0,0,0|1,0,0]=3 5906 B17R1.8299 CC(=CC(=O)N(C)CC(C)O)c1ccccc1 240690a_100000227577_100000743005 [0,2,0,0,0,0|2,0,0]=4 5907 B17R1.8299 CC(=CC(=O)N(C)CC(C)O)c1ccccc1 527a_100000227577_100000743005 [0,2,0,0,0,0|2,0,0]=4 5908 B17R1.8299 CC(C)C[C@H](O)C(=O)CC(=O)c1ccccc1 1458a_100012027011_100000211460 [0,2,0,0,0,0|1,0,1]=4 5909 B17R1.14357 CC(C)CC(C)C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000731052 [0,2,0,0,0,0|1,0,0]=3 5910 B17R1.14357 CC(C)CC(C)C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000731052 [0,2,0,0,0,0|1,0,0]=3 5911 B17R1.14357 CC(C)CC(C)C(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000731052 [0,2,0,0,0,0|1,0,0]=3 5912 B17R1.14357 CC(C)CC(C)C(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000731052 [0,2,0,0,0,0|1,0,0]=3 5913 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000747067_100016258244 [0,2,0,0,0,0|1,0,0]=3 5914 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000747067_100016258244 [0,2,0,0,0,0|1,0,0]=3 5915 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000747067_100016258244 [0,2,0,0,0,0|1,0,0]=3 5916 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000747067_100000184502 [0,2,0,0,0,0|1,0,0]=3 5917 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000747067_100000184502 [0,2,0,0,0,0|1,0,0]=3 5918 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000747067_100000184502 [0,2,0,0,0,0|1,0,0]=3 5919 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)F 11a_100000747067_100000718793 [0,2,0,0,0,0|1,0,0]=3 5920 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000747067_100000718793 [0,2,0,0,0,0|1,0,0]=3 5921 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000747067_100000718793 [0,2,0,0,0,0|1,0,0]=3 5922 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)I 11a_100000747067_100020647043 [0,2,0,0,0,0|1,0,0]=3 5923 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000747067_100020647043 [0,2,0,0,0,0|1,0,0]=3 5924 B17R1.14357 CC(C)CN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000747067_100020647043 [0,2,0,0,0,0|1,0,0]=3 5925 B17R1.14357 CC(O)CN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000227577_100016258244 [0,2,0,0,0,0|2,0,0]=4 5926 B17R1.14357 CC(O)CN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000227577_100000184502 [0,2,0,0,0,0|2,0,0]=4 5927 B17R1.14357 CC(O)CN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000227577_100000718793 [0,2,0,0,0,0|2,0,0]=4 5928 B17R1.14357 CC(O)CN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000227577_100020647043 [0,2,0,0,0,0|2,0,0]=4 5929 B17R1.14357 Cc1cccc(c1)C=CC(=O)C(C)CC(C)C 1458a_100000690095_100000731052 [0,2,0,0,0,0|1,0,0]=3 5930 B17R1.14357 Cc1cccc(c1)C=CC(=O)N(C)CC(C)C 11a_100000747067_100000690095 [0,2,0,0,0,0|1,0,0]=3 5931 B17R1.14357 Cc1cccc(c1)C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000690095 [0,2,0,0,0,0|1,0,0]=3 5932 B17R1.14357 Cc1cccc(c1)C=CC(=O)N(C)CC(C)C 240690a_100000747067_100000690095 [0,2,0,0,0,0|1,0,0]=3 5933 B17R1.14357 Cc1cccc(c1)C=CC(=O)N(C)CC(C)O 240690a_100000227577_100000690095 [0,2,0,0,0,0|2,0,0]=4 5934 B17R1.33290 CN(CC(C)(C)C)C(=O)C=Cc1ccccc1 11a_100000742839_100000210462 [0,2,0,0,0,0|1,0,0]=3 5935 B17R1.33290 CN(CC(C)(C)C)C(=O)C=Cc1ccccc1 1626a_100000742839_100000210462 [0,2,0,0,0,0|1,0,0]=3 5936 B17R1.33290 CN(CC(C)(C)C)C(=O)C=Cc1ccccn1 11a_100000742839_100000740811 [0,2,0,0,0,0|2,0,0]=4 5937 B17R1.33290 CN(CC(C)(C)C)C(=O)C=Cc1ccccn1 240690a_100000742839_100000740811 [0,2,0,0,0,0|2,0,0]=4 5938 B17R1.33290 CN(CC(C)(C)C)C(=O)C=Cc1cccnc1 11a_100000742839_100000735890 [0,2,0,0,0,0|2,0,0]=4 5939 B17R1.33290 CN(CC(C)(C)C)C(=O)C=Cc1cccnc1 240690a_100000742839_100000735890 [0,2,0,0,0,0|2,0,0]=4 5940 B17R1.33290 CN(CC(C)(C)C)C(=O)C=Cc1ccncc1 240690a_100000742839_100000682801 [0,2,0,0,0,0|2,0,0]=4 5941 B17R1.33290 CN(CC(C)(C)O)C(=O)C=Cc1ccccc1 1626a_100000755907_100000210462 [0,2,0,0,0,0|1,0,0]=3 5942 B17R1.33290 CN(CC(C)(C)O)C(=O)C=Cc1ccccn1 240690a_100000755907_100000740811 [0,2,0,0,0,0|2,0,0]=4 5943 B17R1.33290 CN(CC(C)(C)O)C(=O)C=Cc1cccnc1 240690a_100000755907_100000735890 [0,2,0,0,0,0|2,0,0]=4 5944 B17R1.33290 CN(CC(C)(C)O)C(=O)C=Cc1ccncc1 240690a_100000755907_100000682801 [0,2,0,0,0,0|2,0,0]=4 5945 B17R1.33290 CN(C[Si](C)(C)C)C(=O)C=Cc1ccccc1 11a_200020589227_100000210462 [0,2,0,0,0,0|1,1,0]=4 5946 B17R1.33290 CN(C[Si](C)(C)C)C(=O)C=Cc1ccccc1 1626a_200020589227_100000210462 [0,2,0,0,0,0|1,1,0]=4 5947 B17R1.14340 CC(C)CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000181311_100000212080 [0,2,0,0,0,0|1,0,1]=4 5948 B17R1.14340 CC(C)CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000181311_100000211444 [0,2,0,0,0,0|1,0,1]=4 5949 B17R1.14340 CC(C)CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000181311_100000215616 [0,2,0,0,0,0|1,0,1]=4 5950 B17R1.14340 CC(C)CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000181311_100009813753 [0,2,0,0,0,0|1,0,1]=4 5951 B17R1.14340 CC(C)CNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183291 [0,2,0,0,0,0|1,0,1]=4 5952 B17R1.14340 CC(C)CNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183291 [0,2,0,0,0,0|1,0,1]=4 5953 B17R1.14340 CC(C)CNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183291 [0,2,0,0,0,0|1,0,1]=4 5954 B17R1.14340 CC(C)CNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183291 [0,2,0,0,0,0|1,0,1]=4 5955 B17R1.14340 CC(C)CNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183291 [0,2,0,0,0,0|1,0,1]=4 5956 B17R1.14340 Cc1cccc(c1)C(=O)CC(=O)CCC(C)C 1458a_100000181311_100000739480 [0,2,0,0,0,0|1,0,1]=4 5957 B17R1.14340 Cc1cccc(c1)C(=O)CC(=O)NCC(C)C 1458a_100000189346_100000183291 [0,2,0,0,0,0|1,0,1]=4 5958 B17R1.16667 CC(=CC(=O)CCC(C)(C)C)c1ccccc1 1458a_100000743005_100000755188 [0,2,0,0,0,0|1,0,0]=3 5959 B17R1.16667 CC(=CC(=O)CC[N+](C)(C)C)c1ccccc1 1458a_100000743005_100000085578 [0,2,0,0,0,0|2,0,0]=4 5960 B17R1.16667 CC(=CC(=O)CC[Si](C)(C)C)c1ccccc1 1458a_100000743005_200000733723 [0,2,0,0,0,0|1,1,0]=4 5961 B17R1.16667 CC(=CC(=O)NCC(C)(C)C)c1ccccc1 11a_100000743828_100000743005 [0,2,0,0,0,0|1,0,0]=3 5962 B17R1.16667 CC(=CC(=O)NCC(C)(C)C)c1ccccc1 1626a_100000743828_100000743005 [0,2,0,0,0,0|1,0,0]=3 5963 B17R1.16667 CC(=CC(=O)NCC(C)(C)C)c1ccccc1 240690a_100000743828_100000743005 [0,2,0,0,0,0|1,0,0]=3 5964 B17R1.16667 CC(=CC(=O)NCC(C)(C)C)c1ccccc1 527a_100000743828_100000743005 [0,2,0,0,0,0|1,0,0]=3 5965 B17R1.16667 CC(=CC(=O)NCC(C)(C)F)c1ccccc1 11a_100020643315_100000743005 [0,2,0,0,0,0|1,0,0]=3 5966 B17R1.16667 CC(=CC(=O)NCC(C)(C)F)c1ccccc1 1626a_100020643315_100000743005 [0,2,0,0,0,0|1,0,0]=3 5967 B17R1.16667 CC(=CC(=O)NCC(C)(C)F)c1ccccc1 240690a_100020643315_100000743005 [0,2,0,0,0,0|1,0,0]=3 5968 B17R1.16667 CC(=CC(=O)NCC(C)(C)F)c1ccccc1 527a_100020643315_100000743005 [0,2,0,0,0,0|1,0,0]=3 5969 B17R1.16667 CC(=CC(=O)NCC(C)(C)O)c1ccccc1 1626a_100000751335_100000743005 [0,2,0,0,0,0|1,0,0]=3 5970 B17R1.16667 CC(=CC(=O)NCC(C)(C)O)c1ccccc1 240690a_100000751335_100000743005 [0,2,0,0,0,0|1,0,0]=3 5971 B17R1.16667 CC(=CC(=O)NCC(C)(C)O)c1ccccc1 527a_100000751335_100000743005 [0,2,0,0,0,0|1,0,0]=3 5972 B17R1.16667 CC(=CC(=O)NCC(C)(F)F)c1ccccc1 11a_100000731000_100000743005 [0,2,0,0,0,0|2,0,0]=4 5973 B17R1.16667 CC(=CC(=O)NCC(C)(F)F)c1ccccc1 1626a_100000731000_100000743005 [0,2,0,0,0,0|2,0,0]=4 5974 B17R1.16667 CC(=CC(=O)NCC(C)(F)F)c1ccccc1 240690a_100000731000_100000743005 [0,2,0,0,0,0|2,0,0]=4 5975 B17R1.16667 CC(=CC(=O)NCC(C)(F)F)c1ccccc1 527a_100000731000_100000743005 [0,2,0,0,0,0|2,0,0]=4 5976 B17R1.16667 CC(=CC(=O)NC[Si](C)(C)C)c1ccccc1 11a_102516607284_100000743005 [0,2,0,0,0,0|1,1,0]=4 5977 B17R1.16667 CC(=CC(=O)NC[Si](C)(C)C)c1ccccc1 1626a_102516607284_100000743005 [0,2,0,0,0,0|1,1,0]=4 5978 B17R1.16667 CC(=CC(=O)NC[Si](C)(C)C)c1ccccc1 240690a_102516607284_100000743005 [0,2,0,0,0,0|1,1,0]=4 5979 B17R1.16667 CC(=CC(=O)NC[Si](C)(C)C)c1ccccc1 527a_102516607284_100000743005 [0,2,0,0,0,0|1,1,0]=4 5980 B17R1.16667 CC(=CC(=O)NNC(C)(C)C)c1ccccc1 22a_100000725372_100000743005 [0,2,0,0,0,0|2,0,0]=4 5981 B17R1.16667 CC(C)(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000757465_100000211460 [0,2,0,0,0,0|1,0,1]=4 5982 B17R1.16667 CC(C)(C)COC(=O)CC(=O)c1ccccc1 1458a_100000185807_200010402935 [0,2,0,0,0,0|0,0,1]=3 5983 B17R1.16667 CN(CC(=O)OCC(C)(C)C)c1ccccc1 2230a_100000210012_200010402935 [0,2,0,0,0,0|1,0,1]=4 5984 B17R1.16667 CN(CC(=O)OCC(C)(C)C)c1ccccc1 269982a_100000210012_200010402935 [0,2,0,0,0,0|1,0,1]=4 5985 B17R1.16667 CN(CC(=O)OCC(C)(C)C)c1ccccc1 34a_100000210012_200010402935 [0,2,0,0,0,0|1,0,1]=4 5986 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100000210476 [0,2,0,0,0,0|1,0,0]=3 5987 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100000210476 [0,2,0,0,0,0|1,0,0]=3 5988 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100000210476 [0,2,0,0,0,0|1,0,0]=3 5989 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100000210476 [0,2,0,0,0,0|1,0,0]=3 5990 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000210312 [0,2,0,0,0,0|1,0,0]=3 5991 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100000210476 [0,2,0,0,0,0|1,0,0]=3 5992 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000210312 [0,2,0,0,0,0|1,0,0]=3 5993 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100000210476 [0,2,0,0,0,0|1,0,0]=3 5994 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100000210476 [0,2,0,0,0,0|1,0,0]=3 5995 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000210312 [0,2,0,0,0,0|1,0,0]=3 5996 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100000210476 [0,2,0,0,0,0|1,0,0]=3 5997 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100000210476 [0,2,0,0,0,0|1,0,0]=3 5998 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100000210476 [0,2,0,0,0,0|1,0,0]=3 5999 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100000210476 [0,2,0,0,0,0|1,0,0]=3 6000 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100000210476 [0,2,0,0,0,0|1,0,0]=3 6001 B17R1.8189 CC(C)CCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100000210476 [0,2,0,0,0,0|1,0,0]=3 6002 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100000210953_100000234795 [0,2,0,0,0,0|1,0,0]=3 6003 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100000210953_100000234795 [0,2,0,0,0,0|1,0,0]=3 6004 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100000210953_100000234795 [0,2,0,0,0,0|1,0,0]=3 6005 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100000210953_100012349021 [0,2,0,0,0,0|1,0,0]=3 6006 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100000210953_100012349021 [0,2,0,0,0,0|1,0,0]=3 6007 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100000210953_100012349021 [0,2,0,0,0,0|1,0,0]=3 6008 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)F)F 11a_100000210953_100015207409 [0,2,0,0,0,0|1,0,0]=3 6009 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100000210953_100015207409 [0,2,0,0,0,0|1,0,0]=3 6010 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100000210953_100015207409 [0,2,0,0,0,0|1,0,0]=3 6011 B17R1.8189 CC(C)NNC(=O)C=Cc1cc(cc(c1)Cl)Cl 22a_100000741168_100000234795 [0,2,0,0,0,0|2,0,0]=4 6012 B17R1.8189 CC(C)NNC(=O)C=Cc1cc(cc(c1)Cl)F 22a_100000741168_100012349021 [0,2,0,0,0,0|2,0,0]=4 6013 B17R1.8189 CC(C)NNC(=O)C=Cc1cc(cc(c1)F)F 22a_100000741168_100015207409 [0,2,0,0,0,0|2,0,0]=4 6014 B17R1.8189 CC(C)NNC(=O)C=Cc1cc(cc(c1)O)O 22a_100000741168_200016280741 [0,2,0,0,0,0|2,0,0]=4 6015 B17R1.8189 CC(O)CCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100012276601 [0,2,0,0,0,0|2,0,0]=4 6016 B17R1.8189 CC(O)CCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100012276601 [0,2,0,0,0,0|2,0,0]=4 6017 B17R1.8189 CC(O)CCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100012276601 [0,2,0,0,0,0|2,0,0]=4 6018 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100000210904_100000234795 [0,2,0,0,0,0|2,0,0]=4 6019 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100000210904_100000234795 [0,2,0,0,0,0|2,0,0]=4 6020 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100000210904_100012349021 [0,2,0,0,0,0|2,0,0]=4 6021 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100000210904_100012349021 [0,2,0,0,0,0|2,0,0]=4 6022 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)F)F 11a_100000210904_100015207409 [0,2,0,0,0,0|2,0,0]=4 6023 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100000210904_100015207409 [0,2,0,0,0,0|2,0,0]=4 6024 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)C)Br 6a_100000686105_100000210476 [0,2,0,0,0,0|1,0,0]=3 6025 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)C)C 1458a_100016257640_100000210312 [0,2,0,0,0,0|1,0,0]=3 6026 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)C)C 6a_100000745632_100000210476 [0,2,0,0,0,0|1,0,0]=3 6027 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)C)Cl 6a_100000684525_100000210476 [0,2,0,0,0,0|1,0,0]=3 6028 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)C)F 1458a_100102526130_100000210312 [0,2,0,0,0,0|1,0,0]=3 6029 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)C)F 6a_100011217087_100000210476 [0,2,0,0,0,0|1,0,0]=3 6030 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)C)O 6a_100009853434_100000210476 [0,2,0,0,0,0|1,0,0]=3 6031 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)O)C 1458a_100016257640_100012276601 [0,2,0,0,0,0|2,0,0]=4 6032 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)CCC(C)O)F 1458a_100102526130_100012276601 [0,2,0,0,0,0|2,0,0]=4 6033 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)C)C 11a_100000210953_100016257640 [0,2,0,0,0,0|1,0,0]=3 6034 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)C)C 1626a_100000210953_100016257640 [0,2,0,0,0,0|1,0,0]=3 6035 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)C)C 240690a_100000210953_100016257640 [0,2,0,0,0,0|1,0,0]=3 6036 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)C)F 11a_100000210953_100102526130 [0,2,0,0,0,0|1,0,0]=3 6037 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)C)F 1626a_100000210953_100102526130 [0,2,0,0,0,0|1,0,0]=3 6038 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)C)F 240690a_100000210953_100102526130 [0,2,0,0,0,0|1,0,0]=3 6039 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)O)C 11a_100000210904_100016257640 [0,2,0,0,0,0|2,0,0]=4 6040 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)O)C 240690a_100000210904_100016257640 [0,2,0,0,0,0|2,0,0]=4 6041 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)O)F 11a_100000210904_100102526130 [0,2,0,0,0,0|2,0,0]=4 6042 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NCC(C)O)F 240690a_100000210904_100102526130 [0,2,0,0,0,0|2,0,0]=4 6043 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NNC(C)C)C 22a_100000741168_100016257640 [0,2,0,0,0,0|2,0,0]=4 6044 B17R1.8189 Cc1cc(cc(c1)C=CC(=O)NNC(C)C)F 22a_100000741168_100102526130 [0,2,0,0,0,0|2,0,0]=4 6045 B17R1.8834 CC(C)(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000755188 [0,2,0,0,0,0|1,0,0]=3 6046 B17R1.8834 CC(C)(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000755188 [0,2,0,0,0,0|1,0,0]=3 6047 B17R1.8834 CC(C)(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000755188 [0,2,0,0,0,0|1,0,0]=3 6048 B17R1.8834 CC(C)(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000755188 [0,2,0,0,0,0|1,0,0]=3 6049 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000743828_100016258244 [0,2,0,0,0,0|1,0,0]=3 6050 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000743828_100016258244 [0,2,0,0,0,0|1,0,0]=3 6051 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000743828_100016258244 [0,2,0,0,0,0|1,0,0]=3 6052 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000743828_100000184502 [0,2,0,0,0,0|1,0,0]=3 6053 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000743828_100000184502 [0,2,0,0,0,0|1,0,0]=3 6054 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000743828_100000184502 [0,2,0,0,0,0|1,0,0]=3 6055 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000743828_100000718793 [0,2,0,0,0,0|1,0,0]=3 6056 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000743828_100000718793 [0,2,0,0,0,0|1,0,0]=3 6057 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000743828_100000718793 [0,2,0,0,0,0|1,0,0]=3 6058 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000743828_100020647043 [0,2,0,0,0,0|1,0,0]=3 6059 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000743828_100020647043 [0,2,0,0,0,0|1,0,0]=3 6060 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000743828_100020647043 [0,2,0,0,0,0|1,0,0]=3 6061 B17R1.8834 CC(C)(C)COC(=O)CNc1cccc(c1)Br 34a_100000210019_200010402935 [0,2,0,0,0,0|1,0,1]=4 6062 B17R1.8834 CC(C)(C)COC(=O)CNc1cccc(c1)Cl 34a_100000185859_200010402935 [0,2,0,0,0,0|1,0,1]=4 6063 B17R1.8834 CC(C)(C)COC(=O)CNc1cccc(c1)F 34a_100000210047_200010402935 [0,2,0,0,0,0|1,0,1]=4 6064 B17R1.8834 CC(C)(C)COC(=O)CNc1cccc(c1)I 34a_100000211102_200010402935 [0,2,0,0,0,0|1,0,1]=4 6065 B17R1.8834 CC(C)(C)COC(=O)CNc1cccc(c1)O 34a_100000210217_200010402935 [0,2,0,0,0,0|1,0,1]=4 6066 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)Br 34a_100000210342_200010402935 [0,2,0,0,0,0|1,0,1]=4 6067 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)Br 7a_100000210342_200010402935 [0,2,0,0,0,0|1,0,1]=4 6068 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)Cl 34a_100000210295_200010402935 [0,2,0,0,0,0|1,0,1]=4 6069 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)Cl 7a_100000210295_200010402935 [0,2,0,0,0,0|1,0,1]=4 6070 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)F 34a_100000210426_200010402935 [0,2,0,0,0,0|1,0,1]=4 6071 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)F 7a_100000210426_200010402935 [0,2,0,0,0,0|1,0,1]=4 6072 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)I 34a_100000211634_200010402935 [0,2,0,0,0,0|1,0,1]=4 6073 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)I 7a_100000211634_200010402935 [0,2,0,0,0,0|1,0,1]=4 6074 B17R1.8834 CC(C)(C)COC(=O)COc1cccc(c1)N 34a_100000210217_200010402935 [0,2,0,0,0,0|1,0,1]=4 6075 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)Br 62a_100000691529_200010402935 [0,2,0,0,0,0|1,0,1]=4 6076 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)Br 62a_200010402935_100000691529 [0,2,0,0,0,0|1,0,1]=4 6077 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)Cl 62a_100000699651_200010402935 [0,2,0,0,0,0|1,0,1]=4 6078 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)Cl 62a_200010402935_100000699651 [0,2,0,0,0,0|1,0,1]=4 6079 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)F 62a_100000685547_200010402935 [0,2,0,0,0,0|1,0,1]=4 6080 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)F 62a_200010402935_100000685547 [0,2,0,0,0,0|1,0,1]=4 6081 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)N 62a_100000210019_200010402935 [0,2,0,0,0,0|1,0,1]=4 6082 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)N 62a_200010402935_100000210019 [0,2,0,0,0,0|1,0,1]=4 6083 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)O 62a_200010402935_100000211634 [0,2,0,0,0,0|1,0,1]=4 6084 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)[S] 62a_114929384022_200010402935 [0,2,0,0,0,0|1,0,1]=4 6085 B17R1.8834 CC(C)(C)COC(=O)CSc1cccc(c1)[S] 62a_200010402935_114929384022 [0,2,0,0,0,0|1,0,1]=4 6086 B17R1.8834 CC(C)(C)NNC(=O)C=Cc1cccc(c1)Br 22a_100000725372_100016258244 [0,2,0,0,0,0|2,0,0]=4 6087 B17R1.8834 CC(C)(C)NNC(=O)C=Cc1cccc(c1)Cl 22a_100000725372_100000184502 [0,2,0,0,0,0|2,0,0]=4 6088 B17R1.8834 CC(C)(C)NNC(=O)C=Cc1cccc(c1)F 22a_100000725372_100000718793 [0,2,0,0,0,0|2,0,0]=4 6089 B17R1.8834 CC(C)(C)NNC(=O)C=Cc1cccc(c1)I 22a_100000725372_100020647043 [0,2,0,0,0,0|2,0,0]=4 6090 B17R1.8834 CC(C)(C)NNC(=O)C=Cc1cccc(c1)O 22a_100000725372_100102525460 [0,2,0,0,0,0|2,0,0]=4 6091 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Br 11a_100020643315_100016258244 [0,2,0,0,0,0|1,0,0]=3 6092 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Br 1626a_100020643315_100016258244 [0,2,0,0,0,0|1,0,0]=3 6093 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Br 240690a_100020643315_100016258244 [0,2,0,0,0,0|1,0,0]=3 6094 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Cl 11a_100020643315_100000184502 [0,2,0,0,0,0|1,0,0]=3 6095 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100020643315_100000184502 [0,2,0,0,0,0|1,0,0]=3 6096 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100020643315_100000184502 [0,2,0,0,0,0|1,0,0]=3 6097 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)F 11a_100020643315_100000718793 [0,2,0,0,0,0|1,0,0]=3 6098 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)F 1626a_100020643315_100000718793 [0,2,0,0,0,0|1,0,0]=3 6099 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)F 240690a_100020643315_100000718793 [0,2,0,0,0,0|1,0,0]=3 6100 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)I 11a_100020643315_100020647043 [0,2,0,0,0,0|1,0,0]=3 6101 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)I 1626a_100020643315_100020647043 [0,2,0,0,0,0|1,0,0]=3 6102 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)I 240690a_100020643315_100020647043 [0,2,0,0,0,0|1,0,0]=3 6103 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000751335_100016258244 [0,2,0,0,0,0|1,0,0]=3 6104 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000751335_100016258244 [0,2,0,0,0,0|1,0,0]=3 6105 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000751335_100000184502 [0,2,0,0,0,0|1,0,0]=3 6106 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000751335_100000184502 [0,2,0,0,0,0|1,0,0]=3 6107 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)F 1626a_100000751335_100000718793 [0,2,0,0,0,0|1,0,0]=3 6108 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)F 240690a_100000751335_100000718793 [0,2,0,0,0,0|1,0,0]=3 6109 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)I 1626a_100000751335_100020647043 [0,2,0,0,0,0|1,0,0]=3 6110 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)I 240690a_100000751335_100020647043 [0,2,0,0,0,0|1,0,0]=3 6111 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Br 11a_100000731000_100016258244 [0,2,0,0,0,0|2,0,0]=4 6112 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000731000_100016258244 [0,2,0,0,0,0|2,0,0]=4 6113 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000731000_100016258244 [0,2,0,0,0,0|2,0,0]=4 6114 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000731000_100000184502 [0,2,0,0,0,0|2,0,0]=4 6115 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000731000_100000184502 [0,2,0,0,0,0|2,0,0]=4 6116 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000731000_100000184502 [0,2,0,0,0,0|2,0,0]=4 6117 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)F 11a_100000731000_100000718793 [0,2,0,0,0,0|2,0,0]=4 6118 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)F 1626a_100000731000_100000718793 [0,2,0,0,0,0|2,0,0]=4 6119 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)F 240690a_100000731000_100000718793 [0,2,0,0,0,0|2,0,0]=4 6120 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)I 11a_100000731000_100020647043 [0,2,0,0,0,0|2,0,0]=4 6121 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)I 1626a_100000731000_100020647043 [0,2,0,0,0,0|2,0,0]=4 6122 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)I 240690a_100000731000_100020647043 [0,2,0,0,0,0|2,0,0]=4 6123 B17R1.8834 C[N+](C)(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000085578 [0,2,0,0,0,0|2,0,0]=4 6124 B17R1.8834 C[N+](C)(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000085578 [0,2,0,0,0,0|2,0,0]=4 6125 B17R1.8834 C[N+](C)(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000085578 [0,2,0,0,0,0|2,0,0]=4 6126 B17R1.8834 C[N+](C)(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000085578 [0,2,0,0,0,0|2,0,0]=4 6127 B17R1.8834 C[Si](C)(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000733723 [0,2,0,0,0,0|1,1,0]=4 6128 B17R1.8834 C[Si](C)(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000733723 [0,2,0,0,0,0|1,1,0]=4 6129 B17R1.8834 C[Si](C)(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000733723 [0,2,0,0,0,0|1,1,0]=4 6130 B17R1.8834 C[Si](C)(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000733723 [0,2,0,0,0,0|1,1,0]=4 6131 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)Br 11a_102516607284_100016258244 [0,2,0,0,0,0|1,1,0]=4 6132 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_102516607284_100016258244 [0,2,0,0,0,0|1,1,0]=4 6133 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_102516607284_100016258244 [0,2,0,0,0,0|1,1,0]=4 6134 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_102516607284_100000184502 [0,2,0,0,0,0|1,1,0]=4 6135 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_102516607284_100000184502 [0,2,0,0,0,0|1,1,0]=4 6136 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_102516607284_100000184502 [0,2,0,0,0,0|1,1,0]=4 6137 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)F 11a_102516607284_100000718793 [0,2,0,0,0,0|1,1,0]=4 6138 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)F 1626a_102516607284_100000718793 [0,2,0,0,0,0|1,1,0]=4 6139 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)F 240690a_102516607284_100000718793 [0,2,0,0,0,0|1,1,0]=4 6140 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)I 11a_102516607284_100020647043 [0,2,0,0,0,0|1,1,0]=4 6141 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)I 1626a_102516607284_100020647043 [0,2,0,0,0,0|1,1,0]=4 6142 B17R1.8834 C[Si](C)(C)CNC(=O)C=Cc1cccc(c1)I 240690a_102516607284_100020647043 [0,2,0,0,0,0|1,1,0]=4 6143 B17R1.8834 Cc1cccc(c1)C=CC(=O)CCC(C)(C)C 1458a_100000690095_100000755188 [0,2,0,0,0,0|1,0,0]=3 6144 B17R1.8834 Cc1cccc(c1)C=CC(=O)CC[N+](C)(C)C 1458a_100000690095_100000085578 [0,2,0,0,0,0|2,0,0]=4 6145 B17R1.8834 Cc1cccc(c1)C=CC(=O)CC[Si](C)(C)C 1458a_100000690095_200000733723 [0,2,0,0,0,0|1,1,0]=4 6146 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)C 11a_100000743828_100000690095 [0,2,0,0,0,0|1,0,0]=3 6147 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)C 1626a_100000743828_100000690095 [0,2,0,0,0,0|1,0,0]=3 6148 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)C 240690a_100000743828_100000690095 [0,2,0,0,0,0|1,0,0]=3 6149 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)F 11a_100020643315_100000690095 [0,2,0,0,0,0|1,0,0]=3 6150 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)F 1626a_100020643315_100000690095 [0,2,0,0,0,0|1,0,0]=3 6151 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)F 240690a_100020643315_100000690095 [0,2,0,0,0,0|1,0,0]=3 6152 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)O 1626a_100000751335_100000690095 [0,2,0,0,0,0|1,0,0]=3 6153 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(C)O 240690a_100000751335_100000690095 [0,2,0,0,0,0|1,0,0]=3 6154 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(F)F 11a_100000731000_100000690095 [0,2,0,0,0,0|2,0,0]=4 6155 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(F)F 1626a_100000731000_100000690095 [0,2,0,0,0,0|2,0,0]=4 6156 B17R1.8834 Cc1cccc(c1)C=CC(=O)NCC(C)(F)F 240690a_100000731000_100000690095 [0,2,0,0,0,0|2,0,0]=4 6157 B17R1.8834 Cc1cccc(c1)C=CC(=O)NC[Si](C)(C)C 11a_102516607284_100000690095 [0,2,0,0,0,0|1,1,0]=4 6158 B17R1.8834 Cc1cccc(c1)C=CC(=O)NC[Si](C)(C)C 1626a_102516607284_100000690095 [0,2,0,0,0,0|1,1,0]=4 6159 B17R1.8834 Cc1cccc(c1)C=CC(=O)NC[Si](C)(C)C 240690a_102516607284_100000690095 [0,2,0,0,0,0|1,1,0]=4 6160 B17R1.8834 Cc1cccc(c1)C=CC(=O)NNC(C)(C)C 22a_100000725372_100000690095 [0,2,0,0,0,0|2,0,0]=4 6161 B17R1.8834 Cc1cccc(c1)NCC(=O)OCC(C)(C)C 2230a_100000188690_200010402935 [0,2,0,0,0,0|1,0,1]=4 6162 B17R1.8834 Cc1cccc(c1)NCC(=O)OCC(C)(C)C 34a_100000188690_200010402935 [0,2,0,0,0,0|1,0,1]=4 6163 B17R1.8834 Cc1cccc(c1)OCC(=O)OCC(C)(C)C 34a_100000210337_200010402935 [0,2,0,0,0,0|1,0,1]=4 6164 B17R1.8834 Cc1cccc(c1)OCC(=O)OCC(C)(C)C 7a_100000210337_200010402935 [0,2,0,0,0,0|1,0,1]=4 6165 B17R1.8834 Cc1cccc(c1)SCC(=O)OCC(C)(C)C 62a_100011215228_200010402935 [0,2,0,0,0,0|1,0,1]=4 6166 B17R1.8834 Cc1cccc(c1)SCC(=O)OCC(C)(C)C 62a_200010402935_100011215228 [0,2,0,0,0,0|1,0,1]=4 6167 B17R1.28454 CC(C)CCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000210312 [0,2,0,0,0,0|1,0,0]=3 6168 B17R1.28454 CC(C)CCC(=O)C=Cc1cncc(c1)C#N 6a_100011361567_100000210476 [0,2,0,0,0,0|2,0,0]=4 6169 B17R1.28454 CC(C)CNC(=O)C=Cc1cccc(c1)C#N 11a_100000210953_100000738773 [0,2,0,0,0,0|1,0,0]=3 6170 B17R1.28454 CC(C)CNC(=O)C=Cc1cccc(c1)C#N 1626a_100000210953_100000738773 [0,2,0,0,0,0|1,0,0]=3 6171 B17R1.28454 CC(C)CNC(=O)C=Cc1cccc(c1)C#N 240690a_100000210953_100000738773 [0,2,0,0,0,0|1,0,0]=3 6172 B17R1.28454 CC(C)NNC(=O)C=Cc1cccc(c1)C#N 22a_100000741168_100000738773 [0,2,0,0,0,0|2,0,0]=4 6173 B17R1.28454 CC(O)CCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100012276601 [0,2,0,0,0,0|2,0,0]=4 6174 B17R1.28454 CC(O)CNC(=O)C=Cc1cccc(c1)C#N 11a_100000210904_100000738773 [0,2,0,0,0,0|2,0,0]=4 6175 B17R1.28454 CC(O)CNC(=O)C=Cc1cccc(c1)C#N 240690a_100000210904_100000738773 [0,2,0,0,0,0|2,0,0]=4 6176 B17R1.28454 COc1cccc(c1)C=CC(=O)NNC(C)C 22a_100000741168_100000211917 [0,2,0,0,0,0|2,0,0]=4 6177 B15R1.86 C=Cc1ccccc1C(=O)CCC(C)C 1458a_100011830265_100000210312 [0,0,1,1,0,0|1,0,0]=3 6178 B15R1.86 C=Cc1ccccc1C(=O)CCC(C)O 1458a_100011830265_100012276601 [0,0,1,1,0,0|2,0,0]=4 6179 B15R1.86 C=Cc1ccccc1C(=O)NCC(C)C 1626a_100000210953_100011830265 [0,0,1,1,0,0|1,0,0]=3 6180 B15R1.86 C=Cc1ccccc1C(=O)NCC(C)C 271570a_100011290941_200000155729 [0,0,1,1,0,0|1,0,0]=3 6181 B15R1.86 C=Cc1ccccc1C(=O)NNC(C)C 22a_100000741168_100011830265 [0,0,1,1,0,0|2,0,0]=4 6182 B15R1.86 C=Cc1ccccc1C(=O)OCC(=O)C 271570a_100011290941_201991511838 [0,0,1,1,0,0|1,0,1]=4 6183 B15R1.86 CC(C)COC(=O)c1ccccc1O[13CH3] 34a_100000005792_200025704644 [0,0,1,1,0,0|1,0,1]=4 6184 B15R1.86 CC(C)COC(=O)c1ccccc1O[13CH3] 7a_100000005792_200025704644 [0,0,1,1,0,0|1,0,1]=4 6185 B15R1.86 COc1ccccc1C(=O)OCC(C)C 34a_100000005792_200000210301 [0,0,1,1,0,0|1,0,1]=4 6186 B15R1.86 COc1ccccc1C(=O)OCC(C)C 7a_100000005792_200000210301 [0,0,1,1,0,0|1,0,1]=4 6187 B15R1.65 C=Cc1cccc(c1)C(=O)CCC(C)C 1458a_100011215009_100000210312 [0,0,1,1,0,0|1,0,0]=3 6188 B15R1.65 C=Cc1cccc(c1)C(=O)CCC(C)O 1458a_100011215009_100012276601 [0,0,1,1,0,0|2,0,0]=4 6189 B15R1.65 C=Cc1cccc(c1)C(=O)NCC(C)C 11a_100000210953_100011215009 [0,0,1,1,0,0|1,0,0]=3 6190 B15R1.65 C=Cc1cccc(c1)C(=O)NCC(C)C 1626a_100000210953_100011215009 [0,0,1,1,0,0|1,0,0]=3 6191 B15R1.65 C=Cc1cccc(c1)C(=O)NCC(C)C 240690a_100000210953_100011215009 [0,0,1,1,0,0|1,0,0]=3 6192 B15R1.65 C=Cc1cccc(c1)C(=O)NCC(C)C 527a_100000210953_100011215009 [0,0,1,1,0,0|1,0,0]=3 6193 B15R1.65 C=Cc1cccc(c1)C(=O)NCC(C)O 11a_100000210904_100011215009 [0,0,1,1,0,0|2,0,0]=4 6194 B15R1.65 C=Cc1cccc(c1)C(=O)NCC(C)O 240690a_100000210904_100011215009 [0,0,1,1,0,0|2,0,0]=4 6195 B15R1.65 C=Cc1cccc(c1)C(=O)NCC(C)O 527a_100000210904_100011215009 [0,0,1,1,0,0|2,0,0]=4 6196 B15R1.65 C=Cc1cccc(c1)C(=O)NNC(C)C 22a_100000741168_100011215009 [0,0,1,1,0,0|2,0,0]=4 6197 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,1,0,0|2,0,0]=4 6198 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,0,1,0,0|2,0,0]=4 6199 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [1,0,0,1,0,0|2,0,0]=4 6200 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [1,0,0,1,0,0|2,0,0]=4 6201 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [1,0,0,1,0,0|1,0,0]=3 6202 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [1,0,0,1,0,0|1,0,0]=3 6203 B15R2.352 CCCOc1ccc2cccnc2c1 34a_100011216045_100000210303 [1,0,0,1,0,0|2,0,0]=4 6204 B15R2.352 CCCOc1ccc2ccncc2c1 7a_100000752006_100000210303 [1,0,0,1,0,0|2,0,0]=4 6205 B15R2.352 CCCOc1ccc2cnccc2c1 34a_100000046372_100000210303 [1,0,0,1,0,0|2,0,0]=4 6206 B15R2.352 CCCOc1ccc2cnccc2c1 7a_100000046372_100000210303 [1,0,0,1,0,0|2,0,0]=4 6207 B15R2.352 CCCOc1ccc2ncccc2c1 34a_100011215586_100000210303 [1,0,0,1,0,0|2,0,0]=4 6208 B15R2.352 CCCOc1ccc2ncccc2c1 7a_100011215586_100000210303 [1,0,0,1,0,0|2,0,0]=4 6209 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [1,0,0,1,0,0|2,0,0]=4 6210 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [1,0,0,1,0,0|2,0,0]=4 6211 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [1,0,0,1,0,0|1,1,0]=4 6212 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [1,0,0,1,0,0|1,1,0]=4 6213 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [1,0,0,1,0,0|1,1,0]=4 6214 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [1,0,0,1,0,0|2,0,0]=4 6215 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [1,0,0,1,0,0|2,0,0]=4 6216 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [1,0,0,1,0,0|2,0,0]=4 6217 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [1,0,0,1,0,0|2,0,0]=4 6218 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [1,0,0,1,0,0|2,0,0]=4 6219 B15R2.2195 C(=Cc1ccccc1)C2=CCCCC2 271570a_100000069214_100000210277 [1,0,0,1,0,0|2,0,0]=4 6220 B15R2.24490 O=C(C=Cc1ccccc1)C2CCC2 1458a_100000210462_100000749161 [1,0,0,1,0,0|1,0,0]=3 6221 B15R2.24490 O=C(C=Cc1ccccc1)C2COC2 1458a_100000210462_100000687716 [1,0,0,1,0,0|2,0,0]=4 6222 B15R2.24490 O=C(C=Cc1ccccc1)N2CCC2 11a_100000754969_100000210462 [1,0,0,1,0,0|1,0,0]=3 6223 B15R2.24490 O=C(C=Cc1ccccn1)C2CCC2 1458a_100000740811_100000749161 [1,0,0,1,0,0|2,0,0]=4 6224 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 11a_100000754969_100000740811 [1,0,0,1,0,0|2,0,0]=4 6225 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 240690a_100000754969_100000740811 [1,0,0,1,0,0|2,0,0]=4 6226 B15R2.24490 O=C(C=Cc1cccnc1)C2CCC2 1458a_100000735890_100000749161 [1,0,0,1,0,0|2,0,0]=4 6227 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 11a_100000754969_100000735890 [1,0,0,1,0,0|2,0,0]=4 6228 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 240690a_100000754969_100000735890 [1,0,0,1,0,0|2,0,0]=4 6229 B15R2.24490 O=C(C=Cc1ccncc1)C2CCC2 1458a_100000682801_100000749161 [1,0,0,1,0,0|2,0,0]=4 6230 B15R2.24490 O=C(C=Cc1ccncc1)N2CCC2 240690a_100000754969_100000682801 [1,0,0,1,0,0|2,0,0]=4 6231 B15R2.24494 O=C(C=Cc1ccccc1)CC2CC2 1458a_100000210462_100000742324 [1,0,0,1,0,0|1,0,0]=3 6232 B15R2.24494 O=C(C=Cc1ccccc1)CC2CO2 1458a_100000210462_100011216344 [1,0,0,1,0,0|2,0,0]=4 6233 B15R2.24494 O=C(C=Cc1ccccc1)CC2CS2 1458a_100000210462_100000031435 [1,0,0,1,0,0|2,0,0]=4 6234 B15R2.24494 O=C(C=Cc1ccccc1)C[C@@H]2CO2 1458a_100000210462_100000745022 [1,0,0,1,0,0|2,0,0]=4 6235 B15R2.24494 O=C(C=Cc1ccccc1)NC2CC2 1626a_100000212008_100000210462 [1,0,0,1,0,0|1,0,0]=3 6236 B15R2.24494 O=C(C=Cc1ccccn1)CC2CC2 1458a_100000740811_100000742324 [1,0,0,1,0,0|2,0,0]=4 6237 B15R2.24494 O=C(C=Cc1ccccn1)NC2CC2 240690a_100000212008_100000740811 [1,0,0,1,0,0|2,0,0]=4 6238 B15R2.24494 O=C(C=Cc1cccnc1)CC2CC2 1458a_100000735890_100000742324 [1,0,0,1,0,0|2,0,0]=4 6239 B15R2.24494 O=C(C=Cc1cccnc1)NC2CC2 240690a_100000212008_100000735890 [1,0,0,1,0,0|2,0,0]=4 6240 B15R2.24494 O=C(C=Cc1ccncc1)CC2CC2 1458a_100000682801_100000742324 [1,0,0,1,0,0|2,0,0]=4 6241 B15R2.24494 O=C(C=Cc1ccncc1)NC2CC2 240690a_100000212008_100000682801 [1,0,0,1,0,0|2,0,0]=4 6242 B15R2.6 CC(C)COc1csc2c1cccc2 34a_100000077758_100000210624 [1,0,0,1,0,0|1,0,0]=3 6243 B15R2.6 CC(C)COc1csc2c1cccc2 7a_100000077758_100000210760 [1,0,0,1,0,0|1,0,0]=3 6244 B15R2.6 CC(C)CSc1coc2c1cccc2 62a_100000210624_100009812202 [1,0,0,1,0,0|1,1,0]=4 6245 B15R2.6 CC(C)CSc1csc2c1cccc2 62a_100000210624_100009813928 [1,0,0,1,0,0|1,1,0]=4 6246 B15R2.6 CC(O)COc1csc2c1cccc2 34a_100000077758_100011218427 [1,0,0,1,0,0|2,0,0]=4 6247 B15R2.6 CC(O)COc1csc2c1cccc2 7a_100000077758_100011218427 [1,0,0,1,0,0|2,0,0]=4 6248 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 34a_100000077758_100009817552 [1,0,0,1,0,0|2,0,0]=4 6249 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 7a_100000077758_100009817552 [1,0,0,1,0,0|2,0,0]=4 6250 B15R2.63 CC(C)n1nccc1c2ccccc2 271570a_100011218836_100010264481 [1,0,0,1,0,0|2,0,0]=4 6251 B15R2.63 CC(C)n1nccc1c2ccccc2 271570a_100012347165_100000210277 [1,0,0,1,0,0|2,0,0]=4 6252 B15R2.617 CC1CN(C1)C/C=C/c2ccccc2 2230a_100000702820_100016265936 [1,0,0,1,0,0|1,0,1]=4 6253 B15R2.617 CC1CN(C1)C/C=C/c2ccccc2 269982a_100000702820_100016265936 [1,0,0,1,0,0|1,0,1]=4 6254 B15R2.617 CC1CN(C1)C/C=C/c2ccccc2 34a_100000702820_100016265936 [1,0,0,1,0,0|1,0,1]=4 6255 B15R2.617 CC1CN(C1)CC=Cc2ccccc2 270004a_100000702820_100000210105 [1,0,0,1,0,0|1,0,1]=4 6256 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 2230a_100000735609_100016265936 [1,0,0,1,0,0|1,0,1]=4 6257 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 2230a_100020603302_100000742324 [1,0,0,1,0,0|1,0,1]=4 6258 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 34a_100000735609_100016265936 [1,0,0,1,0,0|1,0,1]=4 6259 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 34a_100020603302_100000742324 [1,0,0,1,0,0|1,0,1]=4 6260 B15R2.4226 C(=C/c1ccccc1)\COCC2CC2 34a_100000210256_100000742324 [1,0,0,1,0,0|0,0,1]=3 6261 B15R2.4226 C(=C/c1ccccc1)\COCC2CC2 34a_100000211283_100016265936 [1,0,0,1,0,0|0,0,1]=3 6262 B15R2.4226 C(=C/c1ccccc1)\COCC2CO2 34a_100000210256_102125554688 [1,0,0,1,0,0|1,0,1]=4 6263 B15R2.4226 C(=C/c1ccccc1)\COC[C@@H]2CO2 34a_100000757423_100016265936 [1,0,0,1,0,0|1,0,1]=4 6264 B15R2.4226 C(=C/c1ccccc1)\CSCC2CC2 62a_100000756562_100016265936 [1,0,0,1,0,0|0,1,1]=4 6265 B15R2.4226 C(=C/c1ccccc1)\CSCC2CC2 62a_100016265936_100000742324 [1,0,0,1,0,0|0,1,1]=4 6266 B15R2.4226 C(=C/c1cccnc1)\COCC2CC2 34a_200102594124_100000742324 [1,0,0,1,0,0|1,0,1]=4 6267 B15R2.4226 C(=Cc1ccccc1)C=NNC2CC2 4a_100000701032_100000210105 [1,0,0,1,0,0|2,0,0]=4 6268 B15R2.4226 C(=Cc1ccccc1)CNCC2CC2 270004a_100000735609_100000210105 [1,0,0,1,0,0|1,0,1]=4 6269 B15R2.68122 CC(C)Nc1cccc2c1cccc2 34a_100000185869_100000210206 [1,0,0,1,0,0|2,0,0]=4 6270 B15R2.68122 CC(C)Oc1cccc2c1cccc2 34a_100000210388_100000210206 [1,0,0,1,0,0|2,0,0]=4 6271 B15R2.68122 CC(C)Oc1cccc2c1cccc2 7a_100000210388_100000210206 [1,0,0,1,0,0|2,0,0]=4 6272 B15R2.68122 CC(C)Sc1cccc2c1cccc2 62a_100000210206_100000210605 [1,0,0,1,0,0|2,0,0]=4 6273 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100000741213_200000210301 [1,0,0,1,0,0|2,0,0]=4 6274 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100102631434_100011261445 [1,0,0,1,0,0|2,0,0]=4 6275 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100000741213_200000210301 [1,0,0,1,0,0|2,0,0]=4 6276 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100102631434_100000188474 [1,0,0,1,0,0|2,0,0]=4 6277 B15R2.68122 CN(C)Cc1cccc2c1cccc2 270004a_100102631434_100000210074 [1,0,0,1,0,0|2,0,0]=4 6278 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 2230a_100000741213_200025704644 [1,0,0,1,0,0|2,0,0]=4 6279 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 269982a_100000741213_200025704644 [1,0,0,1,0,0|2,0,0]=4 6280 B15R2.596 CC1CC(C1)C(=O)Cc2ccccc2 1458a_100000686124_100015291786 [0,0,0,1,1,0|1,0,1]=4 6281 B15R2.596 CC1CC(C1)C(=O)Nc2ccccc2 11a_100000106764_100000686124 [0,0,0,1,1,0|2,0,0]=4 6282 B15R2.596 CC1CC(C1)C(=O)Nc2ccccc2 1626a_100000106764_100000686124 [0,0,0,1,1,0|2,0,0]=4 6283 B15R2.596 CC1CC(C1)C(=O)Nc2ccccc2 22a_100000106764_100000686124 [0,0,0,1,1,0|2,0,0]=4 6284 B15R2.596 CC1CC(C1)C(=O)Nc2ccccc2 527a_100000106764_100000686124 [0,0,0,1,1,0|2,0,0]=4 6285 B15R2.596 CC1CN(C1)C(=O)Nc2ccccc2 2430a_100000106764_100000702820 [0,0,0,1,1,0|2,0,0]=4 6286 B15R2.1256 O=C(CCC1CC1)Cc2ccccc2 1458a_100000756386_100015291786 [0,0,0,1,1,0|1,0,1]=4 6287 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 11a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 6288 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 1626a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 6289 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 22a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 6290 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 527a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 6291 B15R2.1256 O=C(NCC1CC1)Nc2ccccc2 2430a_100000106764_100000735609 [0,0,0,1,1,0|2,0,0]=4 6292 B15R2.1660 CC(C)CSc1cc2ccccc2[nH]1 62a_100000210624_100010232065 [0,0,0,1,1,0|1,1,0]=4 6293 B15R2.1660 CC(C)CSc1cc2ccccc2o1 62a_100000210624_100010159458 [0,0,0,1,1,0|0,1,1]=4 6294 B15R2.1660 CC(C)CSc1cc2ccccc2s1 62a_100000210624_100009816949 [0,0,0,1,1,0|0,2,0]=4 6295 B15R2.16445 CC1(C[C@@H]1C(=O)Cc2ccccc2)C 1458a_100000692687_100015291786 [0,0,0,1,1,0|1,0,1]=4 6296 B15R2.16445 CC1(C[C@@H]1C(=O)Nc2ccccc2)C 11a_100000106764_100000692687 [0,0,0,1,1,0|2,0,0]=4 6297 B15R2.16445 CC1(C[C@@H]1C(=O)Nc2ccccc2)C 1626a_100000106764_100000692687 [0,0,0,1,1,0|2,0,0]=4 6298 B15R2.16445 CC1(C[C@@H]1C(=O)Nc2ccccc2)C 22a_100000106764_100000692687 [0,0,0,1,1,0|2,0,0]=4 6299 B15R2.16445 CC1(C[C@@H]1C(=O)Nc2ccccc2)C 527a_100000106764_100000692687 [0,0,0,1,1,0|2,0,0]=4 6300 B15R2.325 CC1CC(C(=O)O1)Nc2ccccc2 34a_100000106764_200000216747 [0,0,0,1,1,0|1,0,1]=4 6301 B15R2.325 CC1CC(C(=O)O1)Oc2ccccc2 34a_100000210340_200000216747 [0,0,0,1,1,0|1,0,1]=4 6302 B15R2.325 CC1CC(C(=O)O1)Oc2ccccc2 7a_100000210340_200000216747 [0,0,0,1,1,0|1,0,1]=4 6303 B15R2.325 CC1CC(C(=O)O1)Sc2ccccc2 62a_100000719477_200000216747 [0,0,0,1,1,0|1,0,1]=4 6304 B15R2.325 CC1CC(C(=O)O1)Sc2ccccc2 62a_200000216747_100000041952 [0,0,0,1,1,0|1,0,1]=4 6305 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210206 [0,0,0,1,1,0|2,0,0]=4 6306 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000210206 [0,0,0,1,1,0|2,0,0]=4 6307 B15R2.1668 CC(C)Nc1ccc2ccccc2n1 27a_100138425928_100011291633 [0,0,0,1,1,0|2,0,0]=4 6308 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210206 [0,0,0,1,1,0|1,0,0]=3 6309 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000210206 [0,0,0,1,1,0|1,0,0]=3 6310 B15R2.1668 CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210206 [0,0,0,1,1,0|2,0,0]=4 6311 B15R2.1668 CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000210206 [0,0,0,1,1,0|2,0,0]=4 6312 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210206 [0,0,0,1,1,0|2,0,0]=4 6313 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000210206 [0,0,0,1,1,0|2,0,0]=4 6314 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210206 [0,0,0,1,1,0|2,0,0]=4 6315 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000210206 [0,0,0,1,1,0|2,0,0]=4 6316 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210206 [0,0,0,1,1,0|2,0,0]=4 6317 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000210206 [0,0,0,1,1,0|2,0,0]=4 6318 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 62a_100000210206_100000233703 [0,0,0,1,1,0|1,1,0]=4 6319 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100000210206_100011291633 [0,0,0,1,1,0|1,1,0]=4 6320 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000210206 [0,0,0,1,1,0|1,1,0]=4 6321 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_200000210301 [0,0,0,1,1,0|2,0,0]=4 6322 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100102631434_100011216711 [0,0,0,1,1,0|2,0,0]=4 6323 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_200000210301 [0,0,0,1,1,0|2,0,0]=4 6324 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100102631434_100011216711 [0,0,0,1,1,0|2,0,0]=4 6325 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 270004a_100102631434_100000211584 [0,0,0,1,1,0|2,0,0]=4 6326 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 2230a_100102631434_100000737579 [0,0,0,1,1,0|2,0,0]=4 6327 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 270004a_100102631434_100000759686 [0,0,0,1,1,0|2,0,0]=4 6328 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 2230a_100000185194_200025704644 [0,0,0,1,1,0|2,0,0]=4 6329 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 269982a_100000185194_200025704644 [0,0,0,1,1,0|2,0,0]=4 6330 B15R2.133568 CC(C)CC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210624 [0,0,0,1,1,0|0,0,2]=4 6331 B15R2.1095 CC1CN(C1)C(=O)C=Cc2cccs2 11a_100000702820_100000182767 [0,0,0,1,1,0|2,0,0]=4 6332 B15R2.1095 CC1CN(C1)C(=O)C=Cc2cccs2 240690a_100000702820_100000182767 [0,0,0,1,1,0|2,0,0]=4 6333 B15R2.1095 CC1CN(C1)C(=O)C=Cc2ccoc2 11a_100000702820_100000238621 [0,0,0,1,1,0|2,0,0]=4 6334 B15R2.1095 CC1CN(C1)C(=O)C=Cc2ccoc2 240690a_100000702820_100000238621 [0,0,0,1,1,0|2,0,0]=4 6335 B15R2.1095 CC1CN(C1)C(=O)C=Cc2ccsc2 11a_100000702820_100000698588 [0,0,0,1,1,0|2,0,0]=4 6336 B15R2.1095 CC1CN(C1)C(=O)C=Cc2ccsc2 240690a_100000702820_100000698588 [0,0,0,1,1,0|2,0,0]=4 6337 B15R2.1095 CC1CN(C1)C(=O)C=Cc2ccsc2 527a_100000702820_100000698588 [0,0,0,1,1,0|2,0,0]=4 6338 B15R2.7688 CC(C)COc1ccc2[nH]ccc2c1 34a_100000756620_100000210624 [0,0,0,1,1,0|2,0,0]=4 6339 B15R2.7688 CC(C)COc1ccc2cc[nH]c2c1 34a_100000036713_100000210624 [0,0,0,1,1,0|2,0,0]=4 6340 B15R2.7688 CC(C)COc1ccc2ccoc2c1 34a_100000089557_100000210624 [0,0,0,1,1,0|2,0,0]=4 6341 B15R2.7688 CC(C)COc1ccc2ccoc2c1 7a_100000089557_100000210760 [0,0,0,1,1,0|2,0,0]=4 6342 B15R2.7688 CC(C)COc1ccc2occc2c1 34a_100000070125_100000210624 [0,0,0,1,1,0|2,0,0]=4 6343 B15R2.7688 CC(C)COc1ccc2occc2c1 7a_100000070125_100000210760 [0,0,0,1,1,0|2,0,0]=4 6344 B15R2.7688 CC(C)COc1ccc2sccc2c1 34a_100012180905_100000210624 [0,0,0,1,1,0|2,0,0]=4 6345 B15R2.7688 CC(C)COc1ccc2sccc2c1 7a_100012180905_100000210760 [0,0,0,1,1,0|2,0,0]=4 6346 B15R2.24499 O=C(C=Cc1cccs1)CCC2CC2 1458a_100000182767_100000694398 [0,0,0,1,1,0|2,0,0]=4 6347 B15R2.24499 O=C(C=Cc1cccs1)NCC2CC2 11a_100000735609_100000182767 [0,0,0,1,1,0|2,0,0]=4 6348 B15R2.24499 O=C(C=Cc1cccs1)NCC2CC2 1626a_100000735609_100000182767 [0,0,0,1,1,0|2,0,0]=4 6349 B15R2.24499 O=C(C=Cc1cccs1)NCC2CC2 240690a_100000735609_100000182767 [0,0,0,1,1,0|2,0,0]=4 6350 B15R2.24499 O=C(C=Cc1ccoc1)CCC2CC2 1458a_100000238621_100000694398 [0,0,0,1,1,0|2,0,0]=4 6351 B15R2.24499 O=C(C=Cc1ccoc1)NCC2CC2 11a_100000735609_100000238621 [0,0,0,1,1,0|2,0,0]=4 6352 B15R2.24499 O=C(C=Cc1ccoc1)NCC2CC2 1626a_100000735609_100000238621 [0,0,0,1,1,0|2,0,0]=4 6353 B15R2.24499 O=C(C=Cc1ccoc1)NCC2CC2 240690a_100000735609_100000238621 [0,0,0,1,1,0|2,0,0]=4 6354 B15R2.24499 O=C(C=Cc1ccsc1)CCC2CC2 1458a_100000698588_100000694398 [0,0,0,1,1,0|2,0,0]=4 6355 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 11a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 6356 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 1626a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 6357 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 240690a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 6358 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 527a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 6359 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2 11a_100016987628_100000210462 [0,0,0,1,0,1|1,0,0]=3 6360 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 11a_100016987628_100000740811 [0,0,0,1,0,1|2,0,0]=4 6361 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 240690a_100016987628_100000740811 [0,0,0,1,0,1|2,0,0]=4 6362 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 11a_100016987628_100000735890 [0,0,0,1,0,1|2,0,0]=4 6363 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 240690a_100016987628_100000735890 [0,0,0,1,0,1|2,0,0]=4 6364 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccncc2 240690a_100016987628_100000682801 [0,0,0,1,0,1|2,0,0]=4 6365 B17R2.3231 O=C(C=Cc1ccccc1)N2CC[C@@H](C2)F 11a_100015203821_100000210462 [0,0,0,1,0,1|2,0,0]=4 6366 B17R2.3231 O=C(C=Cc1ccccc1)N2CC[C@@H](C2)F 1626a_100015203821_100000210462 [0,0,0,1,0,1|2,0,0]=4 6367 B17R2.5233 O=C(C=Cc1ccccc1)NC2CC(C2)F 11a_100016993743_100000210462 [0,0,0,1,0,1|2,0,0]=4 6368 B17R2.5233 O=C(C=Cc1ccccc1)NC2CC(C2)F 1626a_100016993743_100000210462 [0,0,0,1,0,1|2,0,0]=4 6369 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000210462 [0,0,0,1,0,1|2,0,0]=4 6370 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000210462 [0,0,0,1,0,1|2,0,0]=4 6371 B17R2.5385 CC(C)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210624 [0,0,0,1,0,1|2,0,0]=4 6372 B17R2.5385 CC(C)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210624 [0,0,0,1,0,1|2,0,0]=4 6373 B17R2.5385 CC(C)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000210624 [0,0,0,1,0,1|1,0,1]=4 6374 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000210624 [0,0,0,1,0,1|1,0,0]=3 6375 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000210760 [0,0,0,1,0,1|1,0,0]=3 6376 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)N 34a_100000007060_100000210624 [0,0,0,1,0,1|1,0,0]=3 6377 B17R2.5385 CC(C)COc1c(ccc2c1nccc2)Br 34a_100009816563_100000210624 [0,0,0,1,0,1|2,0,0]=4 6378 B17R2.5385 CC(C)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100000210624 [0,0,0,1,0,1|2,0,0]=4 6379 B17R2.5385 CC(C)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000210760 [0,0,0,1,0,1|2,0,0]=4 6380 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)Br 62a_100000210624_100010090040 [0,0,0,1,0,1|1,1,0]=4 6381 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210760 [0,0,0,1,0,1|1,1,0]=4 6382 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)N 62a_100000210624_100000705303 [0,0,0,1,0,1|1,1,0]=4 6383 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000210760 [0,0,0,1,0,1|1,1,0]=4 6384 B17R2.5385 CC(C)CSc1c(ccc2c1cccc2)O 62a_100000210624_100000183829 [0,0,0,1,0,1|0,1,1]=4 6385 B17R2.5385 CC(C)NCc1c(ccc2c1cccc2)Br 207a_100138425928_100010090029 [0,0,0,1,0,1|2,0,0]=4 6386 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100011218427 [0,0,0,1,0,1|2,0,0]=4 6387 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100011218427 [0,0,0,1,0,1|2,0,0]=4 6388 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)N 34a_100000007060_100011218427 [0,0,0,1,0,1|2,0,0]=4 6389 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100009817552 [0,0,0,1,0,1|2,0,0]=4 6390 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100009817552 [0,0,0,1,0,1|2,0,0]=4 6391 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)N 34a_100000007060_100009817552 [0,0,0,1,0,1|2,0,0]=4 6392 B17R2.5385 Cc1ccc2ccccc2c1CNC(C)C 207a_100138425928_100011361466 [0,0,0,1,0,1|2,0,0]=4 6393 B17R2.5385 Cc1ccc2ccccc2c1CNC(C)C 2230a_100138425928_100000689653 [0,0,0,1,0,1|2,0,0]=4 6394 B17R2.5385 Cc1ccc2ccccc2c1CNC(C)C 34a_100138425928_100000689653 [0,0,0,1,0,1|2,0,0]=4 6395 B17R2.5385 Cc1ccc2ccccc2c1COC(C)C 34a_100000212225_100000689653 [0,0,0,1,0,1|2,0,0]=4 6396 B17R2.5385 Cc1ccc2ccccc2c1CSC(C)C 62a_100000210206_100000689653 [0,0,0,1,0,1|2,0,0]=4 6397 B17R2.5385 Cc1ccc2ccccc2c1CSC(C)C 62a_100000689653_100000210206 [0,0,0,1,0,1|2,0,0]=4 6398 B17R2.5385 Cc1ccc2ccccc2c1NCC(C)C 34a_100000688109_100000210624 [0,0,0,1,0,1|2,0,0]=4 6399 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)C 34a_100000039261_100000210624 [0,0,0,1,0,1|1,0,0]=3 6400 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)C 7a_100000039261_100000210760 [0,0,0,1,0,1|1,0,0]=3 6401 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)O 34a_100000039261_100011218427 [0,0,0,1,0,1|2,0,0]=4 6402 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)O 7a_100000039261_100011218427 [0,0,0,1,0,1|2,0,0]=4 6403 B17R2.5385 Cc1ccc2ccccc2c1OC[C@@H](C)O 34a_100000039261_100009817552 [0,0,0,1,0,1|2,0,0]=4 6404 B17R2.5385 Cc1ccc2ccccc2c1OC[C@@H](C)O 7a_100000039261_100009817552 [0,0,0,1,0,1|2,0,0]=4 6405 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)C 62a_100000210624_100000759710 [0,0,0,1,0,1|1,1,0]=4 6406 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)C 62a_100000759710_100000210760 [0,0,0,1,0,1|1,1,0]=4 6407 B17R2.5637 CC(C)c1nc(no1)C=Cc2ccccc2 270196a_100000735103_100000210198 [0,0,0,1,0,1|1,0,1]=4 6408 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 34a_100000185828_100000761012 [0,0,0,1,0,1|1,0,1]=4 6409 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 7a_100000185828_100000761012 [0,0,0,1,0,1|1,0,1]=4 6410 B17R2.5669 CC(Br)COCc1ccc2ccccc2c1 34a_100012180447_100011216711 [0,0,0,1,0,1|2,0,0]=4 6411 B17R2.5669 CC(Br)COCc1ccc2ccccc2n1 34a_100012180447_100000737579 [0,0,0,1,0,1|2,0,0]=4 6412 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2c1 271570a_100016259101_100000233703 [0,0,0,1,0,1|2,0,0]=4 6413 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2n1 271570a_100016259101_100011291633 [0,0,0,1,0,1|2,0,0]=4 6414 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000210312 [0,0,0,1,0,1|2,0,0]=4 6415 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000210626 [0,0,0,1,0,1|2,0,0]=4 6416 B17R2.5669 CC(C)CCNc1ccc2ccccc2n1 27a_100000210545_100011291633 [0,0,0,1,0,1|2,0,0]=4 6417 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000210312 [0,0,0,1,0,1|1,0,0]=3 6418 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000210626 [0,0,0,1,0,1|1,0,0]=3 6419 B17R2.5669 CC(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000210312 [0,0,0,1,0,1|2,0,0]=4 6420 B17R2.5669 CC(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000210626 [0,0,0,1,0,1|2,0,0]=4 6421 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000210312 [0,0,0,1,0,1|2,0,0]=4 6422 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000210626 [0,0,0,1,0,1|2,0,0]=4 6423 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000210312 [0,0,0,1,0,1|2,0,0]=4 6424 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000210626 [0,0,0,1,0,1|2,0,0]=4 6425 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000210312 [0,0,0,1,0,1|2,0,0]=4 6426 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000210626 [0,0,0,1,0,1|2,0,0]=4 6427 B17R2.5669 CC(C)CCSc1ccc2ccccc2c1 62a_100000210312_100000233703 [0,0,0,1,0,1|1,1,0]=4 6428 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100000210312_100011291633 [0,0,0,1,0,1|1,1,0]=4 6429 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000210312 [0,0,0,1,0,1|1,1,0]=4 6430 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 207a_100000210953_100000211584 [0,0,0,1,0,1|2,0,0]=4 6431 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000210953_100011216711 [0,0,0,1,0,1|2,0,0]=4 6432 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000210760 [0,0,0,1,0,1|2,0,0]=4 6433 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000210953_100000211584 [0,0,0,1,0,1|2,0,0]=4 6434 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100000210432 [0,0,0,1,0,1|2,0,0]=4 6435 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000210953_100011216711 [0,0,0,1,0,1|2,0,0]=4 6436 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000210624 [0,0,0,1,0,1|2,0,0]=4 6437 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 207a_100000210953_100000759686 [0,0,0,1,0,1|2,0,0]=4 6438 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 2230a_100000210953_100000737579 [0,0,0,1,0,1|2,0,0]=4 6439 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 270004a_100000210953_100000759686 [0,0,0,1,0,1|2,0,0]=4 6440 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 34a_100000210953_100000737579 [0,0,0,1,0,1|2,0,0]=4 6441 B17R2.5669 CC(C)COCc1cc2ccccc2cn1 34a_100000210257_100009869231 [0,0,0,1,0,1|2,0,0]=4 6442 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100000210257_100011216711 [0,0,0,1,0,1|1,0,0]=3 6443 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100011215330_100000210624 [0,0,0,1,0,1|1,0,0]=3 6444 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 7a_100011215330_100000210760 [0,0,0,1,0,1|1,0,0]=3 6445 B17R2.5669 CC(C)COCc1ccc2ccccc2n1 34a_100000210257_100000737579 [0,0,0,1,0,1|1,0,0]=3 6446 B17R2.5669 CC(C)COCc1ccc2cnccc2c1 34a_100000210257_100020605334 [0,0,0,1,0,1|2,0,0]=4 6447 B17R2.5669 CC(C)COCc1ccc2ncccc2c1 34a_100000210257_100000703657 [0,0,0,1,0,1|2,0,0]=4 6448 B17R2.5669 CC(C)COCc1ccc2ncccc2c1 34a_100011315636_100000210624 [0,0,0,1,0,1|2,0,0]=4 6449 B17R2.5669 CC(C)COCc1cnc2ccccc2c1 34a_100011258773_100000210624 [0,0,0,1,0,1|2,0,0]=4 6450 B17R2.5669 CC(C)COCc1ncc2ccccc2n1 34a_100000210257_100009868571 [0,0,0,1,0,1|2,0,0]=4 6451 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100000210624_100011216711 [0,0,0,1,0,1|1,1,0]=4 6452 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000210760 [0,0,0,1,0,1|1,1,0]=4 6453 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000210624_100000737579 [0,0,0,1,0,1|1,1,0]=4 6454 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000737579_100000210760 [0,0,0,1,0,1|1,1,0]=4 6455 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000210206 [0,0,0,1,0,1|2,0,0]=4 6456 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100000210206 [0,0,0,1,0,1|2,0,0]=4 6457 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 34a_100000755654_100000210206 [0,0,0,1,0,1|2,0,0]=4 6458 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 7a_100000755654_100000210206 [0,0,0,1,0,1|2,0,0]=4 6459 B17R2.5669 CC(C)OCCc1ccc2ccccc2n1 34a_100011996444_100000210206 [0,0,0,1,0,1|2,0,0]=4 6460 B17R2.5669 CC(C)OCNc1ccc2ccccc2c1 34a_100000211940_100000709892 [0,0,0,1,0,1|2,0,0]=4 6461 B17R2.5669 CC(C)OCOc1ccc2ccccc2c1 34a_100000185828_100000709892 [0,0,0,1,0,1|1,0,0]=3 6462 B17R2.5669 CC(C)OCOc1ccc2cccnc2c1 34a_100011216045_100000709892 [0,0,0,1,0,1|2,0,0]=4 6463 B17R2.5669 CC(C)OCOc1ccc2cnccc2c1 34a_100000046372_100000709892 [0,0,0,1,0,1|2,0,0]=4 6464 B17R2.5669 CC(C)OCOc1ccc2ncccc2c1 34a_100011215586_100000709892 [0,0,0,1,0,1|2,0,0]=4 6465 B17R2.5669 CC(C)OCOc1cnc2ccccc2c1 34a_100011934006_100000709892 [0,0,0,1,0,1|2,0,0]=4 6466 B17R2.5669 CC(C)OCSc1ccc2ccccc2c1 62a_100000709892_100000233703 [0,0,0,1,0,1|1,1,0]=4 6467 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100000709892_100011291633 [0,0,0,1,0,1|1,1,0]=4 6468 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100011291633_100000709892 [0,0,0,1,0,1|1,1,0]=4 6469 B17R2.5669 CC(F)COCc1ccc2ccccc2c1 34a_100015925927_100011216711 [0,0,0,1,0,1|2,0,0]=4 6470 B17R2.5669 CC(F)COCc1ccc2ccccc2n1 34a_100015925927_100000737579 [0,0,0,1,0,1|2,0,0]=4 6471 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 34a_100000185828_100012276601 [0,0,0,1,0,1|2,0,0]=4 6472 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 7a_100000185828_100012276601 [0,0,0,1,0,1|2,0,0]=4 6473 B17R2.5669 CC(O)COCc1ccc2ccccc2c1 34a_100011215330_100011218427 [0,0,0,1,0,1|2,0,0]=4 6474 B17R2.5669 CC(O)COCc1ccc2ccccc2c1 7a_100011215330_100011218427 [0,0,0,1,0,1|2,0,0]=4 6475 B17R2.5669 CN(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755713 [0,0,0,1,0,1|2,0,0]=4 6476 B17R2.5669 C[C@@H](Cl)COCc1ccc2ccccc2c1 34a_100016084084_100011216711 [0,0,0,1,0,1|2,0,0]=4 6477 B17R2.5669 C[C@@H](Cl)COCc1ccc2ccccc2n1 34a_100016084084_100000737579 [0,0,0,1,0,1|2,0,0]=4 6478 B17R2.5669 C[C@@H](N)COCc1ccc2ccccc2c1 34a_100000737577_100011216711 [0,0,0,1,0,1|2,0,0]=4 6479 B17R2.5669 C[C@@H](N)COCc1ccc2ccccc2n1 34a_100000737577_100000737579 [0,0,0,1,0,1|2,0,0]=4 6480 B17R2.5669 C[C@@H](O)COCc1ccc2ccccc2c1 34a_100011215330_100009817552 [0,0,0,1,0,1|2,0,0]=4 6481 B17R2.5669 C[C@@H](O)COCc1ccc2ccccc2c1 7a_100011215330_100009817552 [0,0,0,1,0,1|2,0,0]=4 6482 B17R2.45566 CC(=NNCC1CC1)C=Cc2ccccc2 4a_100000736359_100000204604 [0,0,0,1,0,1|2,0,0]=4 6483 B17R2.45566 O=C(C=Cc1ccccc1)CC#CC2CC2 1458a_100000210462_100009895102 [0,0,0,1,0,1|1,0,1]=4 6484 B17R2.45566 O=C(C=Cc1ccccc1)CCCC2CO2 1458a_100000210462_100000733510 [0,0,0,1,0,1|2,0,0]=4 6485 B17R2.45566 O=C(C=Cc1ccccc1)NCCC2CC2 1626a_100000764129_100000210462 [0,0,0,1,0,1|1,0,0]=3 6486 B17R2.45566 O=C(C=Cc1ccccc1)NNCC2CC2 22a_100000736359_100000210462 [0,0,0,1,0,1|1,0,0]=3 6487 B17R2.45566 O=C(C=Cc1ccccn1)NCCC2CC2 240690a_100000764129_100000740811 [0,0,0,1,0,1|2,0,0]=4 6488 B17R2.45566 O=C(C=Cc1ccccn1)NNCC2CC2 22a_100000736359_100000740811 [0,0,0,1,0,1|2,0,0]=4 6489 B17R2.45566 O=C(C=Cc1cccnc1)NCCC2CC2 240690a_100000764129_100000735890 [0,0,0,1,0,1|2,0,0]=4 6490 B17R2.45566 O=C(C=Cc1cccnc1)NNCC2CC2 22a_100000736359_100000735890 [0,0,0,1,0,1|2,0,0]=4 6491 B17R2.45566 O=C(C=Cc1ccncc1)NCCC2CC2 240690a_100000764129_100000682801 [0,0,0,1,0,1|2,0,0]=4 6492 B17R2.45566 O=C(C=Cc1ccncc1)NNCC2CC2 22a_100000736359_100000682801 [0,0,0,1,0,1|2,0,0]=4 6493 B17R2.45566 O=C(CCc1ccccc1)COCC2CC2 34a_100000211283_100012361361 [0,0,0,1,0,1|0,0,2]=4 6494 B17R2.45566 O=C(COCC1CC1)NCc2ccccc2 34a_100000211283_100000183539 [0,0,0,1,0,1|1,0,1]=4 6495 B17R2.45566 O=C(COCC1CC1)OCc2ccccc2 34a_100000211283_100000753625 [0,0,0,1,0,1|1,0,1]=4 6496 B17R2.877 CC(C)CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210312 [0,0,0,1,0,1|1,0,0]=3 6497 B17R2.877 CC(C)CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210312 [0,0,0,1,0,1|1,0,0]=3 6498 B17R2.877 CC(C)CNC(=O)C1=CCc2c1cccc2 11a_100000210953_100000037392 [0,0,0,1,0,1|1,0,0]=3 6499 B17R2.877 CC(C)CNC(=O)C1=CCc2c1cccc2 1626a_100000210953_100000037392 [0,0,0,1,0,1|1,0,0]=3 6500 B17R2.877 CC(C)CNC(=O)C1=CCc2c1cccc2 240690a_100000210953_100000037392 [0,0,0,1,0,1|1,0,0]=3 6501 B17R2.877 CC(C)CNC(=O)C1C=Cc2c1cccc2 1626a_100000210953_200009832160 [0,0,0,1,0,1|1,0,0]=3 6502 B17R2.877 CC(C)CNC(=O)C1C=Cc2c1cccc2 240690a_100000210953_200009832160 [0,0,0,1,0,1|1,0,0]=3 6503 B17R2.877 CC(C)CNC(=O)C1C=Cc2c1cccc2 527a_100000210953_200009832160 [0,0,0,1,0,1|1,0,0]=3 6504 B17R2.877 CC(C)NCC(=O)c1c[nH]c2c1cccc2 2230a_100138425928_100000183220 [0,0,0,1,0,1|2,0,0]=4 6505 B17R2.877 CC(C)NCC(=O)c1csc2c1cccc2 2230a_100138425928_100000689783 [0,0,0,1,0,1|2,0,0]=4 6506 B17R2.877 CC(C)NNC(=O)C1=CCc2c1cccc2 22a_100000741168_100000037392 [0,0,0,1,0,1|2,0,0]=4 6507 B17R2.877 CC(C)SCC(=O)c1c[nH]c2c1cccc2 62a_100000210206_100000183220 [0,0,0,1,0,1|2,0,0]=4 6508 B17R2.877 CC(C)SCC(=O)c1coc2c1cccc2 62a_100000233777_100000210206 [0,0,0,1,0,1|2,0,0]=4 6509 B17R2.877 CC(C)SCC(=O)c1csc2c1cccc2 62a_100000689783_100000210206 [0,0,0,1,0,1|2,0,0]=4 6510 B17R2.877 CC(O)CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100012276601 [0,0,0,1,0,1|2,0,0]=4 6511 B17R2.877 CC(O)CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100012276601 [0,0,0,1,0,1|2,0,0]=4 6512 B17R2.877 CC(O)CNC(=O)C1=CCc2c1cccc2 11a_100000210904_100000037392 [0,0,0,1,0,1|2,0,0]=4 6513 B17R2.877 CC(O)CNC(=O)C1=CCc2c1cccc2 240690a_100000210904_100000037392 [0,0,0,1,0,1|2,0,0]=4 6514 B17R2.877 CC(O)CNC(=O)C1C=Cc2c1cccc2 240690a_100000210904_200009832160 [0,0,0,1,0,1|2,0,0]=4 6515 B17R2.877 CC(O)CNC(=O)C1C=Cc2c1cccc2 527a_100000210904_200009832160 [0,0,0,1,0,1|2,0,0]=4 6516 B17R2.3543 CC(C)CNc1nc(cs1)c2ccccc2 27a_100000210953_100011830410 [0,0,0,1,0,1|2,0,0]=4 6517 B17R2.3543 CC(C)CNc1ncc(o1)c2ccccc2 27a_100000210953_100000729704 [0,0,0,1,0,1|1,0,1]=4 6518 B17R2.3543 CC(C)CNc1ncc(s1)c2ccccc2 27a_100000210953_100000685549 [0,0,0,1,0,1|1,1,0]=4 6519 B17R2.3543 CC(C)CSc1c[nH]c(n1)c2ccccc2 62a_100000210624_200010210587 [0,0,0,1,0,1|1,1,0]=4 6520 B17R2.3543 CC(C)CSc1c[nH]c(n1)c2ccccc2 62a_200010210587_100000210760 [0,0,0,1,0,1|1,1,0]=4 6521 B17R2.3543 CC(C)CSc1ccc(s1)c2ccccc2 62a_100000210624_100009814279 [0,0,0,1,0,1|0,2,0]=4 6522 B17R2.3543 CC(C)CSc1ccc(s1)c2ccccc2 62a_100009814279_100000210760 [0,0,0,1,0,1|0,2,0]=4 6523 B17R2.3543 CC(C)CSc1cnc(o1)c2ccccc2 62a_100000210624_100009814072 [0,0,0,1,0,1|0,1,1]=4 6524 B17R2.3543 CC(C)CSc1cnc(s1)c2ccccc2 62a_100000210624_100000726391 [0,0,0,1,0,1|0,2,0]=4 6525 B17R2.3543 CC(C)CSc1cnc(s1)c2ccccc2 62a_100000726391_100000210760 [0,0,0,1,0,1|0,2,0]=4 6526 B17R2.3543 CC(C)CSc1coc(n1)c2ccccc2 62a_100000210624_100010163736 [0,0,0,1,0,1|1,1,0]=4 6527 B17R2.3543 CC(C)CSc1coc(n1)c2ccccc2 62a_100010163736_100000210760 [0,0,0,1,0,1|1,1,0]=4 6528 B17R2.3543 CC(C)CSc1nc(cs1)c2ccccc2 62a_100000210624_100011830410 [0,0,0,1,0,1|1,1,0]=4 6529 B17R2.3543 CC(C)CSc1nc(cs1)c2ccccc2 62a_100011830410_100000210760 [0,0,0,1,0,1|1,1,0]=4 6530 B17R2.3543 CC(C)CSc1ncc(o1)c2ccccc2 62a_100000210624_100000729704 [0,0,0,1,0,1|0,1,1]=4 6531 B17R2.3543 CC(C)CSc1ncc(s1)c2ccccc2 62a_100000210624_100000685549 [0,0,0,1,0,1|0,2,0]=4 6532 B17R2.3543 CC(C)CSc1ncc(s1)c2ccccc2 62a_100000685549_100000210760 [0,0,0,1,0,1|0,2,0]=4 6533 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100011219626 [0,0,0,1,0,1|2,0,0]=4 6534 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100011219626 [0,0,0,1,0,1|2,0,0]=4 6535 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100011219626 [0,0,0,1,0,1|2,0,0]=4 6536 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100011219626 [0,0,0,1,0,1|2,0,0]=4 6537 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016262050 [0,0,0,1,0,1|2,0,0]=4 6538 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100016262050 [0,0,0,1,0,1|2,0,0]=4 6539 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100016262050 [0,0,0,1,0,1|2,0,0]=4 6540 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100016262050 [0,0,0,1,0,1|2,0,0]=4 6541 B17R2.5242 CC1CC(C1)C(=O)C/C=C/c2ccccc2 1458a_100000686124_100016265936 [0,0,0,1,0,1|1,0,0]=3 6542 B17R2.5242 CC1CN(C1)C(=O)C/C=C/c2ccccc2 11a_100000702820_100011219626 [0,0,0,1,0,1|1,0,0]=3 6543 B17R2.5242 CC1CN(C1)C(=O)C/C=C/c2ccccc2 240690a_100000702820_100011219626 [0,0,0,1,0,1|1,0,0]=3 6544 B17R2.5242 CC1CN(C1)C(=O)C=CSc2ccccc2 11a_100000702820_100016262050 [0,0,0,1,0,1|1,0,0]=3 6545 B17R2.5242 CC1CN(C1)C(=O)C=CSc2ccccc2 240690a_100000702820_100016262050 [0,0,0,1,0,1|1,0,0]=3 6546 B17R2.5242 CN1CC(C1)C(=O)C/C=C/c2ccccc2 1458a_100012002723_100016265936 [0,0,0,1,0,1|2,0,0]=4 6547 B17R2.5242 O=C(C/C=C/c1ccccc1)C2CC(C2)F 1458a_100000062598_100016265936 [0,0,0,1,0,1|2,0,0]=4 6548 B17R2.5242 O=C(C/C=C/c1ccccc1)N2CC(C2)F 11a_100000690557_100011219626 [0,0,0,1,0,1|2,0,0]=4 6549 B17R2.5242 O=C(C/C=C/c1ccccc1)N2CC(C2)F 240690a_100000690557_100011219626 [0,0,0,1,0,1|2,0,0]=4 6550 B17R2.5242 O=C(C/C=C/c1ccccc1)N2CC(C2)O 11a_100000749847_100011219626 [0,0,0,1,0,1|2,0,0]=4 6551 B17R2.5242 O=C(C/C=C/c1ccccc1)N2CC(C2)O 240690a_100000749847_100011219626 [0,0,0,1,0,1|2,0,0]=4 6552 B17R2.5242 O=C(C/C=C/c1ccccc1)[C@H]2C[C@H](C2)O 1458a_100015266633_100016265936 [0,0,0,1,0,1|2,0,0]=4 6553 B17R2.5242 O=C(C=CSc1ccccc1)N2CC(C2)F 11a_100000690557_100016262050 [0,0,0,1,0,1|2,0,0]=4 6554 B17R2.5242 O=C(C=CSc1ccccc1)N2CC(C2)F 240690a_100000690557_100016262050 [0,0,0,1,0,1|2,0,0]=4 6555 B17R2.5242 O=C(C=CSc1ccccc1)N2CC(C2)O 11a_100000749847_100016262050 [0,0,0,1,0,1|2,0,0]=4 6556 B17R2.5242 O=C(C=CSc1ccccc1)N2CC(C2)O 240690a_100000749847_100016262050 [0,0,0,1,0,1|2,0,0]=4 6557 B17R2.20376 CC1(COC(=O)C1=NNc2ccccc2)C 4a_100015195140_100000032928 [0,0,0,1,0,1|1,0,0]=3 6558 B17R2.20376 CC1(COC(=O)C1=NNc2ccccn2)C 4a_100000183288_100000032928 [0,0,0,1,0,1|2,0,0]=4 6559 B17R2.20376 CC1(COC(=O)C1=NNc2cccnc2)C 4a_100000728903_100000032928 [0,0,0,1,0,1|2,0,0]=4 6560 B17R2.20376 CC1(COC(=O)C1=NNc2ccncc2)C 4a_100000698918_100000032928 [0,0,0,1,0,1|2,0,0]=4 6561 B17R2.20376 CC1(COC(=O)[C@@H]1OCc2ccccc2)C 34a_100009815050_100015291786 [0,0,0,1,0,1|0,0,2]=4 6562 B17R2.20376 CC1(COC(=O)[C@@H]1OCc2ccccc2)C 7a_100009815050_100000211182 [0,0,0,1,0,1|0,0,2]=4 6563 B17R2.294959 CC1(CC1C(=O)NN=Cc2ccccc2)C 4a_100015187539_100015611070 [0,0,0,1,0,1|2,0,0]=4 6564 B17R2.294959 CC1(C[C@@H]1C(=O)C/C=C/c2ccccc2)C 1458a_100000692687_100016265936 [0,0,0,1,0,1|1,0,0]=3 6565 B17R2.294966 O=C(C/C=C/c1ccccc1)CCC2CC2 1458a_100000756386_100016265936 [0,0,0,1,0,1|1,0,0]=3 6566 B17R2.294966 O=C(C/C=C/c1ccccc1)CCC2CC2 1458a_100011219626_100000694398 [0,0,0,1,0,1|1,0,0]=3 6567 B17R2.294966 O=C(C/C=C/c1ccccc1)CCC2CO2 1458a_100011219626_100000732470 [0,0,0,1,0,1|2,0,0]=4 6568 B17R2.294966 O=C(C/C=C/c1ccccc1)NCC2CC2 11a_100000735609_100011219626 [0,0,0,1,0,1|1,0,0]=3 6569 B17R2.294966 O=C(C/C=C/c1ccccc1)NCC2CC2 1626a_100000735609_100011219626 [0,0,0,1,0,1|1,0,0]=3 6570 B17R2.294966 O=C(C/C=C/c1ccccc1)NCC2CC2 240690a_100000735609_100011219626 [0,0,0,1,0,1|1,0,0]=3 6571 B17R2.294966 O=C(C/C=C/c1ccccc1)NNC2CC2 22a_100000701032_100011219626 [0,0,0,1,0,1|2,0,0]=4 6572 B17R2.294966 O=C(C=CC1CC1)C/C=C/c2ccccc2 1458a_100102529529_100016265936 [0,0,0,1,0,1|1,0,1]=4 6573 B17R2.294966 O=C(C=CSc1ccccc1)CCC2CC2 1458a_100016262050_100000694398 [0,0,0,1,0,1|1,0,0]=3 6574 B17R2.294966 O=C(C=CSc1ccccc1)CCC2CO2 1458a_100016262050_100000732470 [0,0,0,1,0,1|2,0,0]=4 6575 B17R2.294966 O=C(C=CSc1ccccc1)NCC2CC2 11a_100000735609_100016262050 [0,0,0,1,0,1|1,0,0]=3 6576 B17R2.294966 O=C(C=CSc1ccccc1)NCC2CC2 1626a_100000735609_100016262050 [0,0,0,1,0,1|1,0,0]=3 6577 B17R2.294966 O=C(C=CSc1ccccc1)NCC2CC2 240690a_100000735609_100016262050 [0,0,0,1,0,1|1,0,0]=3 6578 B17R2.294966 O=C(C=CSc1ccccc1)NNC2CC2 22a_100000701032_100016262050 [0,0,0,1,0,1|2,0,0]=4 6579 B17R2.10110 CC(C)CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210312 [0,1,0,1,0,0|1,0,0]=3 6580 B17R2.10110 CC(C)CNC(=O)C1=Cc2ccccc2C1 11a_100000210953_100009862756 [0,1,0,1,0,0|1,0,0]=3 6581 B17R2.10110 CC(C)CNC(=O)C1=Cc2ccccc2C1 1626a_100000210953_100009862756 [0,1,0,1,0,0|1,0,0]=3 6582 B17R2.10110 CC(C)CNC(=O)C1=Cc2ccccc2C1 240690a_100000210953_100009862756 [0,1,0,1,0,0|1,0,0]=3 6583 B17R2.10110 CC(C)COC(C)c1cc2ccccc2o1 34a_100000198572_100000210624 [0,1,0,1,0,0|1,0,1]=4 6584 B17R2.10110 CC(C)COC(C)c1cc2ccccc2o1 7a_100000198572_100000210760 [0,1,0,1,0,0|1,0,1]=4 6585 B17R2.10110 CC(C)NCC(=O)c1cc2ccccc2s1 2230a_100138425928_100012351422 [0,1,0,1,0,0|2,0,0]=4 6586 B17R2.10110 CC(C)NNC(=O)C1=Cc2ccccc2C1 22a_100000741168_100009862756 [0,1,0,1,0,0|2,0,0]=4 6587 B17R2.10110 CC(C)SCC(=O)c1cc2ccccc2o1 62a_100000210206_100000209828 [0,1,0,1,0,0|2,0,0]=4 6588 B17R2.10110 CC(C)SCC(=O)c1cc2ccccc2s1 62a_100012351422_100000210206 [0,1,0,1,0,0|2,0,0]=4 6589 B17R2.10110 CC(O)CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100012276601 [0,1,0,1,0,0|2,0,0]=4 6590 B17R2.10110 CC(O)CNC(=O)C1=Cc2ccccc2C1 11a_100000210904_100009862756 [0,1,0,1,0,0|2,0,0]=4 6591 B17R2.10110 CC(O)CNC(=O)C1=Cc2ccccc2C1 240690a_100000210904_100009862756 [0,1,0,1,0,0|2,0,0]=4 6592 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2Br 11a_100000702820_100000719032 [0,1,0,1,0,0|1,0,0]=3 6593 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2Br 240690a_100000702820_100000719032 [0,1,0,1,0,0|1,0,0]=3 6594 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2Cl 11a_100000702820_100000720304 [0,1,0,1,0,0|1,0,0]=3 6595 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2Cl 240690a_100000702820_100000720304 [0,1,0,1,0,0|1,0,0]=3 6596 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2F 11a_100000702820_100016256065 [0,1,0,1,0,0|1,0,0]=3 6597 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2F 240690a_100000702820_100016256065 [0,1,0,1,0,0|1,0,0]=3 6598 B17R2.20595 O=C(C=Cc1ccccc1Br)N2CC(C2)F 11a_100000690557_100000719032 [0,1,0,1,0,0|2,0,0]=4 6599 B17R2.20595 O=C(C=Cc1ccccc1Br)N2CC(C2)F 240690a_100000690557_100000719032 [0,1,0,1,0,0|2,0,0]=4 6600 B17R2.20595 O=C(C=Cc1ccccc1Br)N2CC(C2)O 11a_100000749847_100000719032 [0,1,0,1,0,0|2,0,0]=4 6601 B17R2.20595 O=C(C=Cc1ccccc1Br)N2CC(C2)O 240690a_100000749847_100000719032 [0,1,0,1,0,0|2,0,0]=4 6602 B17R2.20595 O=C(C=Cc1ccccc1Cl)N2CC(C2)F 11a_100000690557_100000720304 [0,1,0,1,0,0|2,0,0]=4 6603 B17R2.20595 O=C(C=Cc1ccccc1Cl)N2CC(C2)F 240690a_100000690557_100000720304 [0,1,0,1,0,0|2,0,0]=4 6604 B17R2.20595 O=C(C=Cc1ccccc1Cl)N2CC(C2)O 11a_100000749847_100000720304 [0,1,0,1,0,0|2,0,0]=4 6605 B17R2.20595 O=C(C=Cc1ccccc1Cl)N2CC(C2)O 240690a_100000749847_100000720304 [0,1,0,1,0,0|2,0,0]=4 6606 B17R2.20595 O=C(C=Cc1ccccc1F)N2CC(C2)F 11a_100000690557_100016256065 [0,1,0,1,0,0|2,0,0]=4 6607 B17R2.20595 O=C(C=Cc1ccccc1F)N2CC(C2)F 240690a_100000690557_100016256065 [0,1,0,1,0,0|2,0,0]=4 6608 B17R2.20595 O=C(C=Cc1ccccc1F)N2CC(C2)O 11a_100000749847_100016256065 [0,1,0,1,0,0|2,0,0]=4 6609 B17R2.20595 O=C(C=Cc1ccccc1F)N2CC(C2)O 240690a_100000749847_100016256065 [0,1,0,1,0,0|2,0,0]=4 6610 B17R2.20620 Cc1ccccc1C=CC(=O)NCC2CC2 1626a_100000735609_100016266485 [0,1,0,1,0,0|1,0,0]=3 6611 B17R2.20620 Cc1ccccc1C=CC(=O)NNC2CC2 22a_100000701032_100016266485 [0,1,0,1,0,0|2,0,0]=4 6612 B17R2.20620 O=C(C=Cc1ccccc1Br)CCC2CC2 1458a_100000719032_100000694398 [0,1,0,1,0,0|1,0,0]=3 6613 B17R2.20620 O=C(C=Cc1ccccc1Br)CCC2CO2 1458a_100000719032_100000732470 [0,1,0,1,0,0|2,0,0]=4 6614 B17R2.20620 O=C(C=Cc1ccccc1Br)NCC2CC2 11a_100000735609_100000719032 [0,1,0,1,0,0|1,0,0]=3 6615 B17R2.20620 O=C(C=Cc1ccccc1Br)NCC2CC2 1626a_100000735609_100000719032 [0,1,0,1,0,0|1,0,0]=3 6616 B17R2.20620 O=C(C=Cc1ccccc1Br)NCC2CC2 240690a_100000735609_100000719032 [0,1,0,1,0,0|1,0,0]=3 6617 B17R2.20620 O=C(C=Cc1ccccc1Br)NNC2CC2 22a_100000701032_100000719032 [0,1,0,1,0,0|2,0,0]=4 6618 B17R2.20620 O=C(C=Cc1ccccc1Cl)CCC2CC2 1458a_100000720304_100000694398 [0,1,0,1,0,0|1,0,0]=3 6619 B17R2.20620 O=C(C=Cc1ccccc1Cl)CCC2CO2 1458a_100000720304_100000732470 [0,1,0,1,0,0|2,0,0]=4 6620 B17R2.20620 O=C(C=Cc1ccccc1Cl)NCC2CC2 11a_100000735609_100000720304 [0,1,0,1,0,0|1,0,0]=3 6621 B17R2.20620 O=C(C=Cc1ccccc1Cl)NCC2CC2 1626a_100000735609_100000720304 [0,1,0,1,0,0|1,0,0]=3 6622 B17R2.20620 O=C(C=Cc1ccccc1Cl)NCC2CC2 240690a_100000735609_100000720304 [0,1,0,1,0,0|1,0,0]=3 6623 B17R2.20620 O=C(C=Cc1ccccc1Cl)NNC2CC2 22a_100000701032_100000720304 [0,1,0,1,0,0|2,0,0]=4 6624 B17R2.20620 O=C(C=Cc1ccccc1F)CCC2CC2 1458a_100016256065_100000694398 [0,1,0,1,0,0|1,0,0]=3 6625 B17R2.20620 O=C(C=Cc1ccccc1F)CCC2CO2 1458a_100016256065_100000732470 [0,1,0,1,0,0|2,0,0]=4 6626 B17R2.20620 O=C(C=Cc1ccccc1F)NCC2CC2 11a_100000735609_100016256065 [0,1,0,1,0,0|1,0,0]=3 6627 B17R2.20620 O=C(C=Cc1ccccc1F)NCC2CC2 1626a_100000735609_100016256065 [0,1,0,1,0,0|1,0,0]=3 6628 B17R2.20620 O=C(C=Cc1ccccc1F)NCC2CC2 240690a_100000735609_100016256065 [0,1,0,1,0,0|1,0,0]=3 6629 B17R2.20620 O=C(C=Cc1ccccc1F)NNC2CC2 22a_100000701032_100016256065 [0,1,0,1,0,0|2,0,0]=4 6630 B17R2.20620 O=C(C=Cc1ccccc1O)CCC2CC2 1458a_100016263591_100000694398 [0,1,0,1,0,0|1,0,0]=3 6631 B17R2.20620 O=C(C=Cc1ccccc1O)CCC2CO2 1458a_100016263591_100000732470 [0,1,0,1,0,0|2,0,0]=4 6632 B17R2.20620 O=C(C=Cc1ccccc1O)NNC2CC2 22a_100000701032_100016263591 [0,1,0,1,0,0|2,0,0]=4 6633 B17R2.24355 Cc1ccccc1C=CC(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100016266485 [0,1,0,1,0,0|2,0,0]=4 6634 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000719032 [0,1,0,1,0,0|2,0,0]=4 6635 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@H]2F 11a_100025746932_100000719032 [0,1,0,1,0,0|2,0,0]=4 6636 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@H]2F 1626a_100025746932_100000719032 [0,1,0,1,0,0|2,0,0]=4 6637 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@H]2F 240690a_100025746932_100000719032 [0,1,0,1,0,0|2,0,0]=4 6638 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000720304 [0,1,0,1,0,0|2,0,0]=4 6639 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@H]2F 11a_100025746932_100000720304 [0,1,0,1,0,0|2,0,0]=4 6640 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@H]2F 1626a_100025746932_100000720304 [0,1,0,1,0,0|2,0,0]=4 6641 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@H]2F 240690a_100025746932_100000720304 [0,1,0,1,0,0|2,0,0]=4 6642 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016256065 [0,1,0,1,0,0|2,0,0]=4 6643 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@H]2F 11a_100025746932_100016256065 [0,1,0,1,0,0|2,0,0]=4 6644 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@H]2F 1626a_100025746932_100016256065 [0,1,0,1,0,0|2,0,0]=4 6645 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@H]2F 240690a_100025746932_100016256065 [0,1,0,1,0,0|2,0,0]=4 6646 B17R2.37485 CC(C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000210624 [0,1,0,1,0,0|2,0,0]=4 6647 B17R2.37485 CC(C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000210760 [0,1,0,1,0,0|2,0,0]=4 6648 B17R2.37485 CC(C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210624 [0,1,0,1,0,0|2,0,0]=4 6649 B17R2.37485 CC(C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210760 [0,1,0,1,0,0|2,0,0]=4 6650 B17R2.37485 CC(C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210624 [0,1,0,1,0,0|2,0,0]=4 6651 B17R2.37485 CC(C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210760 [0,1,0,1,0,0|2,0,0]=4 6652 B17R2.37485 CC(C)COc1ccc2c(cccc2c1)N 34a_100000034668_100000210624 [0,1,0,1,0,0|1,0,0]=3 6653 B17R2.37485 CC(C)COc1ccc2c(cccc2c1)N 7a_100000034668_100000210760 [0,1,0,1,0,0|1,0,0]=3 6654 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210624 [0,1,0,1,0,0|2,0,0]=4 6655 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210760 [0,1,0,1,0,0|2,0,0]=4 6656 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210624 [0,1,0,1,0,0|2,0,0]=4 6657 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210760 [0,1,0,1,0,0|2,0,0]=4 6658 B17R2.37485 CC(C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210624 [0,1,0,1,0,0|2,0,0]=4 6659 B17R2.37485 CC(C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210760 [0,1,0,1,0,0|2,0,0]=4 6660 B17R2.37485 CC(C)COc1cnc2c(cccc2c1)F 34a_100012184956_100000210624 [0,1,0,1,0,0|2,0,0]=4 6661 B17R2.37485 CC(C)COc1cnc2c(cccc2c1)F 7a_100012184956_100000210760 [0,1,0,1,0,0|2,0,0]=4 6662 B17R2.37485 CC(C)CSc1ccc2c(cccc2c1)N 62a_100000210624_100010090037 [0,1,0,1,0,0|1,1,0]=4 6663 B17R2.37485 CC(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000210760 [0,1,0,1,0,0|1,1,0]=4 6664 B17R2.37485 CC(C)CSc1ccc2c(cccc2c1)O 62a_100000210624_100010202202 [0,1,0,1,0,0|1,1,0]=4 6665 B17R2.37485 CC(O)COc1ccc2c(cccc2c1)N 34a_100000034668_100011218427 [0,1,0,1,0,0|2,0,0]=4 6666 B17R2.37485 CC(O)COc1ccc2c(cccc2c1)N 7a_100000034668_100011218427 [0,1,0,1,0,0|2,0,0]=4 6667 B17R2.37485 C[C@@H](O)COc1ccc2c(cccc2c1)N 34a_100000034668_100009817552 [0,1,0,1,0,0|2,0,0]=4 6668 B17R2.37485 C[C@@H](O)COc1ccc2c(cccc2c1)N 7a_100000034668_100009817552 [0,1,0,1,0,0|2,0,0]=4 6669 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(C)C 34a_200009854145_100000210624 [0,1,0,1,0,0|2,0,0]=4 6670 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(C)C 7a_200009854145_100000210760 [0,1,0,1,0,0|2,0,0]=4 6671 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)Br 11a_100000702820_100016267368 [0,1,0,1,0,0|1,0,0]=3 6672 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)Cl 11a_100000702820_100000184863 [0,1,0,1,0,0|1,0,0]=3 6673 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)Cl 240690a_100000702820_100000184863 [0,1,0,1,0,0|1,0,0]=3 6674 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)F 11a_100000702820_100000182136 [0,1,0,1,0,0|1,0,0]=3 6675 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)F 240690a_100000702820_100000182136 [0,1,0,1,0,0|1,0,0]=3 6676 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)I 11a_100000702820_100102526154 [0,1,0,1,0,0|1,0,0]=3 6677 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)I 240690a_100000702820_100102526154 [0,1,0,1,0,0|1,0,0]=3 6678 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)O 240690a_100000702820_100016269017 [0,1,0,1,0,0|1,0,0]=3 6679 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cn2)F 11a_100000702820_100020630499 [0,1,0,1,0,0|2,0,0]=4 6680 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cn2)F 240690a_100000702820_100020630499 [0,1,0,1,0,0|2,0,0]=4 6681 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(nc2)Br 11a_100000702820_100020588214 [0,1,0,1,0,0|2,0,0]=4 6682 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(nc2)Br 240690a_100000702820_100020588214 [0,1,0,1,0,0|2,0,0]=4 6683 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)C 11a_100000702820_100000716854 [0,1,0,1,0,0|1,0,0]=3 6684 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)C 240690a_100000702820_100000716854 [0,1,0,1,0,0|1,0,0]=3 6685 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)F 11a_100000690557_100000716854 [0,1,0,1,0,0|2,0,0]=4 6686 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)F 240690a_100000690557_100000716854 [0,1,0,1,0,0|2,0,0]=4 6687 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)O 11a_100000749847_100000716854 [0,1,0,1,0,0|2,0,0]=4 6688 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)O 240690a_100000749847_100000716854 [0,1,0,1,0,0|2,0,0]=4 6689 B17R2.417 O=C(C=Cc1ccc(cc1)Br)N2CC(C2)F 11a_100000690557_100016267368 [0,1,0,1,0,0|2,0,0]=4 6690 B17R2.417 O=C(C=Cc1ccc(cc1)Br)N2CC(C2)O 11a_100000749847_100016267368 [0,1,0,1,0,0|2,0,0]=4 6691 B17R2.417 O=C(C=Cc1ccc(cc1)Cl)N2CC(C2)F 11a_100000690557_100000184863 [0,1,0,1,0,0|2,0,0]=4 6692 B17R2.417 O=C(C=Cc1ccc(cc1)Cl)N2CC(C2)F 240690a_100000690557_100000184863 [0,1,0,1,0,0|2,0,0]=4 6693 B17R2.417 O=C(C=Cc1ccc(cc1)Cl)N2CC(C2)O 11a_100000749847_100000184863 [0,1,0,1,0,0|2,0,0]=4 6694 B17R2.417 O=C(C=Cc1ccc(cc1)Cl)N2CC(C2)O 240690a_100000749847_100000184863 [0,1,0,1,0,0|2,0,0]=4 6695 B17R2.417 O=C(C=Cc1ccc(cc1)F)N2CC(C2)F 11a_100000690557_100000182136 [0,1,0,1,0,0|2,0,0]=4 6696 B17R2.417 O=C(C=Cc1ccc(cc1)F)N2CC(C2)F 240690a_100000690557_100000182136 [0,1,0,1,0,0|2,0,0]=4 6697 B17R2.417 O=C(C=Cc1ccc(cc1)F)N2CC(C2)O 11a_100000749847_100000182136 [0,1,0,1,0,0|2,0,0]=4 6698 B17R2.417 O=C(C=Cc1ccc(cc1)F)N2CC(C2)O 240690a_100000749847_100000182136 [0,1,0,1,0,0|2,0,0]=4 6699 B17R2.417 O=C(C=Cc1ccc(cc1)I)N2CC(C2)F 11a_100000690557_100102526154 [0,1,0,1,0,0|2,0,0]=4 6700 B17R2.417 O=C(C=Cc1ccc(cc1)I)N2CC(C2)F 240690a_100000690557_100102526154 [0,1,0,1,0,0|2,0,0]=4 6701 B17R2.417 O=C(C=Cc1ccc(cc1)I)N2CC(C2)O 11a_100000749847_100102526154 [0,1,0,1,0,0|2,0,0]=4 6702 B17R2.417 O=C(C=Cc1ccc(cc1)I)N2CC(C2)O 240690a_100000749847_100102526154 [0,1,0,1,0,0|2,0,0]=4 6703 B17R2.417 O=C(C=Cc1ccc(cc1)O)N2CC(C2)F 240690a_100000690557_100016269017 [0,1,0,1,0,0|2,0,0]=4 6704 B17R2.417 O=C(C=Cc1ccc(cc1)O)N2CC(C2)O 240690a_100000749847_100016269017 [0,1,0,1,0,0|2,0,0]=4 6705 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000716854 [0,1,0,1,0,0|2,0,0]=4 6706 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100000716854 [0,1,0,1,0,0|2,0,0]=4 6707 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100000716854 [0,1,0,1,0,0|2,0,0]=4 6708 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@H]2F 240690a_100025746932_100000716854 [0,1,0,1,0,0|2,0,0]=4 6709 B17R2.419 O=C(C=Cc1ccc(cc1)Br)N[C@@H]2C[C@H]2F 11a_100025746932_100016267368 [0,1,0,1,0,0|2,0,0]=4 6710 B17R2.419 O=C(C=Cc1ccc(cc1)Br)N[C@@H]2C[C@H]2F 1626a_100025746932_100016267368 [0,1,0,1,0,0|2,0,0]=4 6711 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000184863 [0,1,0,1,0,0|2,0,0]=4 6712 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@H]2F 11a_100025746932_100000184863 [0,1,0,1,0,0|2,0,0]=4 6713 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@H]2F 1626a_100025746932_100000184863 [0,1,0,1,0,0|2,0,0]=4 6714 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@H]2F 240690a_100025746932_100000184863 [0,1,0,1,0,0|2,0,0]=4 6715 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000182136 [0,1,0,1,0,0|2,0,0]=4 6716 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@H]2F 11a_100025746932_100000182136 [0,1,0,1,0,0|2,0,0]=4 6717 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@H]2F 1626a_100025746932_100000182136 [0,1,0,1,0,0|2,0,0]=4 6718 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@H]2F 240690a_100025746932_100000182136 [0,1,0,1,0,0|2,0,0]=4 6719 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@@H]2F 240690a_100015190264_100102526154 [0,1,0,1,0,0|2,0,0]=4 6720 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@H]2F 11a_100025746932_100102526154 [0,1,0,1,0,0|2,0,0]=4 6721 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@H]2F 1626a_100025746932_100102526154 [0,1,0,1,0,0|2,0,0]=4 6722 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@H]2F 240690a_100025746932_100102526154 [0,1,0,1,0,0|2,0,0]=4 6723 B17R2.419 O=C(C=Cc1ccc(cc1)O)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016269017 [0,1,0,1,0,0|2,0,0]=4 6724 B17R2.419 O=C(C=Cc1ccc(cc1)O)N[C@@H]2C[C@H]2F 240690a_100025746932_100016269017 [0,1,0,1,0,0|2,0,0]=4 6725 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210624 [0,1,0,1,0,0|2,0,0]=4 6726 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210760 [0,1,0,1,0,0|2,0,0]=4 6727 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210624 [0,1,0,1,0,0|2,0,0]=4 6728 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210760 [0,1,0,1,0,0|2,0,0]=4 6729 B17R2.19729 CC(C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000210624 [0,1,0,1,0,0|2,0,0]=4 6730 B17R2.19729 CC(C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210624 [0,1,0,1,0,0|2,0,0]=4 6731 B17R2.19729 CC(C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210760 [0,1,0,1,0,0|2,0,0]=4 6732 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210624 [0,1,0,1,0,0|1,0,0]=3 6733 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210760 [0,1,0,1,0,0|1,0,0]=3 6734 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000210624 [0,1,0,1,0,0|1,0,0]=3 6735 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000210760 [0,1,0,1,0,0|1,0,0]=3 6736 B17R2.19729 CC(C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210624 [0,1,0,1,0,0|2,0,0]=4 6737 B17R2.19729 CC(C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210760 [0,1,0,1,0,0|2,0,0]=4 6738 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210624 [0,1,0,1,0,0|2,0,0]=4 6739 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210760 [0,1,0,1,0,0|2,0,0]=4 6740 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210624 [0,1,0,1,0,0|2,0,0]=4 6741 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210760 [0,1,0,1,0,0|2,0,0]=4 6742 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000210624 [0,1,0,1,0,0|2,0,0]=4 6743 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000210760 [0,1,0,1,0,0|2,0,0]=4 6744 B17R2.19729 CC(C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210624 [0,1,0,1,0,0|2,0,0]=4 6745 B17R2.19729 CC(C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210760 [0,1,0,1,0,0|2,0,0]=4 6746 B17R2.19729 CC(C)CSc1ccc2ccc(cc2c1)N 62a_100000210624_100010090036 [0,1,0,1,0,0|1,1,0]=4 6747 B17R2.19729 CC(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210760 [0,1,0,1,0,0|1,1,0]=4 6748 B17R2.19729 CC(C)CSc1ccc2ccc(cc2c1)O 62a_100000210624_100009816537 [0,1,0,1,0,0|1,1,0]=4 6749 B17R2.19729 CC(C)CSc1ccc2ccc(cc2n1)O 62a_100000210624_100000079174 [0,1,0,1,0,0|1,1,0]=4 6750 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011218427 [0,1,0,1,0,0|2,0,0]=4 6751 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100011218427 [0,1,0,1,0,0|2,0,0]=4 6752 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100011218427 [0,1,0,1,0,0|2,0,0]=4 6753 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100011218427 [0,1,0,1,0,0|2,0,0]=4 6754 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100009817552 [0,1,0,1,0,0|2,0,0]=4 6755 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100009817552 [0,1,0,1,0,0|2,0,0]=4 6756 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100009817552 [0,1,0,1,0,0|2,0,0]=4 6757 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100009817552 [0,1,0,1,0,0|2,0,0]=4 6758 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)C 34a_100000091598_100000210624 [0,1,0,1,0,0|1,0,0]=3 6759 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)C 7a_100000091598_100000210760 [0,1,0,1,0,0|1,0,0]=3 6760 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)O 34a_100000091598_100011218427 [0,1,0,1,0,0|2,0,0]=4 6761 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)O 7a_100000091598_100011218427 [0,1,0,1,0,0|2,0,0]=4 6762 B17R2.19729 Cc1ccc2ccc(cc2c1)OC[C@@H](C)O 34a_100000091598_100009817552 [0,1,0,1,0,0|2,0,0]=4 6763 B17R2.19729 Cc1ccc2ccc(cc2c1)OC[C@@H](C)O 7a_100000091598_100009817552 [0,1,0,1,0,0|2,0,0]=4 6764 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(C)C 34a_100009867695_100000210624 [0,1,0,1,0,0|2,0,0]=4 6765 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(C)C 7a_100009867695_100000210760 [0,1,0,1,0,0|2,0,0]=4 6766 B17R2.56444 Cc1ccc(cc1)C=CC(=O)CCC2CC2 1458a_100000716854_100000694398 [0,1,0,1,0,0|1,0,0]=3 6767 B17R2.56444 Cc1ccc(cc1)C=CC(=O)CCC2CO2 1458a_100000716854_100000732470 [0,1,0,1,0,0|2,0,0]=4 6768 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NCC2CC2 11a_100000735609_100000716854 [0,1,0,1,0,0|1,0,0]=3 6769 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NCC2CC2 1626a_100000735609_100000716854 [0,1,0,1,0,0|1,0,0]=3 6770 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NCC2CC2 240690a_100000735609_100000716854 [0,1,0,1,0,0|1,0,0]=3 6771 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NNC2CC2 22a_100000701032_100000716854 [0,1,0,1,0,0|2,0,0]=4 6772 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)CCC2CC2 1458a_100016267368_100000694398 [0,1,0,1,0,0|1,0,0]=3 6773 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)CCC2CO2 1458a_100016267368_100000732470 [0,1,0,1,0,0|2,0,0]=4 6774 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)NCC2CC2 11a_100000735609_100016267368 [0,1,0,1,0,0|1,0,0]=3 6775 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)NCC2CC2 1626a_100000735609_100016267368 [0,1,0,1,0,0|1,0,0]=3 6776 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)NNC2CC2 22a_100000701032_100016267368 [0,1,0,1,0,0|2,0,0]=4 6777 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)CCC2CC2 1458a_100000184863_100000694398 [0,1,0,1,0,0|1,0,0]=3 6778 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)CCC2CO2 1458a_100000184863_100000732470 [0,1,0,1,0,0|2,0,0]=4 6779 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NCC2CC2 11a_100000735609_100000184863 [0,1,0,1,0,0|1,0,0]=3 6780 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NCC2CC2 1626a_100000735609_100000184863 [0,1,0,1,0,0|1,0,0]=3 6781 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NCC2CC2 240690a_100000735609_100000184863 [0,1,0,1,0,0|1,0,0]=3 6782 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NNC2CC2 22a_100000701032_100000184863 [0,1,0,1,0,0|2,0,0]=4 6783 B17R2.56444 O=C(C=Cc1ccc(cc1)F)CCC2CC2 1458a_100000182136_100000694398 [0,1,0,1,0,0|1,0,0]=3 6784 B17R2.56444 O=C(C=Cc1ccc(cc1)F)CCC2CO2 1458a_100000182136_100000732470 [0,1,0,1,0,0|2,0,0]=4 6785 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NCC2CC2 11a_100000735609_100000182136 [0,1,0,1,0,0|1,0,0]=3 6786 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NCC2CC2 1626a_100000735609_100000182136 [0,1,0,1,0,0|1,0,0]=3 6787 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NCC2CC2 240690a_100000735609_100000182136 [0,1,0,1,0,0|1,0,0]=3 6788 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NNC2CC2 22a_100000701032_100000182136 [0,1,0,1,0,0|2,0,0]=4 6789 B17R2.56444 O=C(C=Cc1ccc(cc1)I)CCC2CC2 1458a_100102526154_100000694398 [0,1,0,1,0,0|1,0,0]=3 6790 B17R2.56444 O=C(C=Cc1ccc(cc1)I)CCC2CO2 1458a_100102526154_100000732470 [0,1,0,1,0,0|2,0,0]=4 6791 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NCC2CC2 11a_100000735609_100102526154 [0,1,0,1,0,0|1,0,0]=3 6792 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NCC2CC2 1626a_100000735609_100102526154 [0,1,0,1,0,0|1,0,0]=3 6793 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NCC2CC2 240690a_100000735609_100102526154 [0,1,0,1,0,0|1,0,0]=3 6794 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NNC2CC2 22a_100000701032_100102526154 [0,1,0,1,0,0|2,0,0]=4 6795 B17R2.56444 O=C(C=Cc1ccc(cc1)O)NCC2CC2 240690a_100000735609_100016269017 [0,1,0,1,0,0|1,0,0]=3 6796 B17R2.56444 O=C(C=Cc1ccc(cc1)O)NNC2CC2 22a_100000701032_100016269017 [0,1,0,1,0,0|2,0,0]=4 6797 B17R2.56444 O=C(C=Cc1ccc(cn1)F)CCC2CC2 1458a_100020630499_100000694398 [0,1,0,1,0,0|2,0,0]=4 6798 B17R2.56444 O=C(C=Cc1ccc(cn1)F)NCC2CC2 11a_100000735609_100020630499 [0,1,0,1,0,0|2,0,0]=4 6799 B17R2.56444 O=C(C=Cc1ccc(cn1)F)NCC2CC2 1626a_100000735609_100020630499 [0,1,0,1,0,0|2,0,0]=4 6800 B17R2.56444 O=C(C=Cc1ccc(cn1)F)NCC2CC2 240690a_100000735609_100020630499 [0,1,0,1,0,0|2,0,0]=4 6801 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)CCC2CC2 1458a_100020588214_100000694398 [0,1,0,1,0,0|2,0,0]=4 6802 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)NCC2CC2 11a_100000735609_100020588214 [0,1,0,1,0,0|2,0,0]=4 6803 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)NCC2CC2 1626a_100000735609_100020588214 [0,1,0,1,0,0|2,0,0]=4 6804 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)NCC2CC2 240690a_100000735609_100020588214 [0,1,0,1,0,0|2,0,0]=4 6805 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@@H]2F 527a_100015190264_100016990649 [0,1,0,1,0,0|2,0,0]=4 6806 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100016990649 [0,1,0,1,0,0|2,0,0]=4 6807 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100016990649 [0,1,0,1,0,0|2,0,0]=4 6808 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@H]2F 527a_100025746932_100016990649 [0,1,0,1,0,0|2,0,0]=4 6809 B17R2.3912 O=C(N[C@@H]1C[C@@H]1F)/C(=C/c2ccccc2)/Cl 240690a_100015190264_200020598536 [0,1,0,1,0,0|2,0,0]=4 6810 B17R2.3912 O=C(N[C@@H]1C[C@@H]1F)/C(=C/c2ccccc2)/Cl 527a_100015190264_200020598536 [0,1,0,1,0,0|2,0,0]=4 6811 B17R2.3912 O=C(N[C@@H]1C[C@@H]1F)/C(=C\c2ccccc2)/F 527a_100015190264_100020889036 [0,1,0,1,0,0|2,0,0]=4 6812 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 11a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 6813 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 1626a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 6814 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 240690a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 6815 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 527a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 6816 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C\c2ccccc2)/F 11a_100025746932_100020889036 [0,1,0,1,0,0|2,0,0]=4 6817 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C\c2ccccc2)/F 527a_100025746932_100020889036 [0,1,0,1,0,0|2,0,0]=4 6818 B17R2.4007 C/C(=C\c1ccccc1)/C(=O)N2CC(C2)C 11a_100000702820_100016990649 [0,1,0,1,0,0|1,0,0]=3 6819 B17R2.4007 C/C(=C\c1ccccc1)/C(=O)N2CC(C2)C 527a_100000702820_100016990649 [0,1,0,1,0,0|1,0,0]=3 6820 B17R2.4007 C/C(=C\c1ccccc1)/C(=O)N2CC(C2)F 11a_100000690557_100016990649 [0,1,0,1,0,0|2,0,0]=4 6821 B17R2.4007 C/C(=C\c1ccccc1)/C(=O)N2CC(C2)F 527a_100000690557_100016990649 [0,1,0,1,0,0|2,0,0]=4 6822 B17R2.4007 C/C(=C\c1ccccc1)/C(=O)N2CC(C2)O 11a_100000749847_100016990649 [0,1,0,1,0,0|2,0,0]=4 6823 B17R2.4007 C/C(=C\c1ccccc1)/C(=O)N2CC(C2)O 527a_100000749847_100016990649 [0,1,0,1,0,0|2,0,0]=4 6824 B17R2.4007 C/C(=C\c1ccccn1)/C(=O)N2CC(C2)C 11a_100000702820_100025712827 [0,1,0,1,0,0|2,0,0]=4 6825 B17R2.4007 C/C(=C\c1ccccn1)/C(=O)N2CC(C2)C 527a_100000702820_100025712827 [0,1,0,1,0,0|2,0,0]=4 6826 B17R2.4007 C=C(Cc1ccccc1)C(=O)N2CC(C2)C 11a_100000702820_100000066491 [0,1,0,1,0,0|1,0,1]=4 6827 B17R2.4007 CC1CN(C1)C(=O)/C(=C/c2ccccc2)/Cl 11a_100000702820_200020598536 [0,1,0,1,0,0|1,0,0]=3 6828 B17R2.4007 CC1CN(C1)C(=O)/C(=C/c2ccccc2)/Cl 240690a_100000702820_200020598536 [0,1,0,1,0,0|1,0,0]=3 6829 B17R2.4007 CC1CN(C1)C(=O)/C(=C/c2ccccc2)/Cl 527a_100000702820_200020598536 [0,1,0,1,0,0|1,0,0]=3 6830 B17R2.4007 CC1CN(C1)C(=O)/C(=C\c2ccccc2)/F 11a_100000702820_100020889036 [0,1,0,1,0,0|1,0,0]=3 6831 B17R2.4007 CC1CN(C1)C(=O)/C(=C\c2ccccc2)/F 527a_100000702820_100020889036 [0,1,0,1,0,0|1,0,0]=3 6832 B17R2.4007 CC1CN(C1)C(=O)C(=Cc2cccnc2)F 11a_100000702820_100000731744 [0,1,0,1,0,0|2,0,0]=4 6833 B17R2.4007 CC1CN(C1)C(=O)C(=Cc2cccnc2)F 240690a_100000702820_100000731744 [0,1,0,1,0,0|2,0,0]=4 6834 B17R2.4007 CC1CN(C1)C(=O)C(=Cc2cccnc2)F 527a_100000702820_100000731744 [0,1,0,1,0,0|2,0,0]=4 6835 B17R2.4007 CC1CN(C1)C(=O)C(=O)Nc2ccccc2 240690a_100000702820_100000738435 [0,1,0,1,0,0|2,0,0]=4 6836 B17R2.4007 O=C(/C(=C/c1ccccc1)/Cl)N2CC(C2)F 11a_100000690557_200020598536 [0,1,0,1,0,0|2,0,0]=4 6837 B17R2.4007 O=C(/C(=C/c1ccccc1)/Cl)N2CC(C2)F 240690a_100000690557_200020598536 [0,1,0,1,0,0|2,0,0]=4 6838 B17R2.4007 O=C(/C(=C/c1ccccc1)/Cl)N2CC(C2)F 527a_100000690557_200020598536 [0,1,0,1,0,0|2,0,0]=4 6839 B17R2.4007 O=C(/C(=C/c1ccccc1)/Cl)N2CC(C2)O 11a_100000749847_200020598536 [0,1,0,1,0,0|2,0,0]=4 6840 B17R2.4007 O=C(/C(=C/c1ccccc1)/Cl)N2CC(C2)O 240690a_100000749847_200020598536 [0,1,0,1,0,0|2,0,0]=4 6841 B17R2.4007 O=C(/C(=C/c1ccccc1)/Cl)N2CC(C2)O 527a_100000749847_200020598536 [0,1,0,1,0,0|2,0,0]=4 6842 B17R2.4007 O=C(/C(=C\c1ccccc1)/F)N2CC(C2)F 11a_100000690557_100020889036 [0,1,0,1,0,0|2,0,0]=4 6843 B17R2.4007 O=C(/C(=C\c1ccccc1)/F)N2CC(C2)F 527a_100000690557_100020889036 [0,1,0,1,0,0|2,0,0]=4 6844 B17R2.4007 O=C(/C(=C\c1ccccc1)/F)N2CC(C2)O 11a_100000749847_100020889036 [0,1,0,1,0,0|2,0,0]=4 6845 B17R2.4007 O=C(/C(=C\c1ccccc1)/F)N2CC(C2)O 527a_100000749847_100020889036 [0,1,0,1,0,0|2,0,0]=4 6846 B17R2.5006 CC(C)CNc1cc2ccccc2cc1Br 34a_100009991566_100000210624 [0,1,0,1,0,0|2,0,0]=4 6847 B17R2.5006 CC(C)CNc1cc2ccccc2cc1Br 7a_100009991566_100000210760 [0,1,0,1,0,0|2,0,0]=4 6848 B17R2.5006 CC(C)COc1cc2ccccc2cc1Br 34a_100009817189_100000210624 [0,1,0,1,0,0|1,0,0]=3 6849 B17R2.5006 CC(C)COc1cc2ccccc2cc1Br 7a_100009817189_100000210760 [0,1,0,1,0,0|1,0,0]=3 6850 B17R2.5006 CC(C)COc1cc2ccccc2cc1N 34a_106744474703_100000210624 [0,1,0,1,0,0|1,0,0]=3 6851 B17R2.5006 CC(C)COc1cc2ccccc2cc1N 7a_106744474703_100000210760 [0,1,0,1,0,0|1,0,0]=3 6852 B17R2.5006 CC(C)COc1cc2ccccc2nc1Cl 34a_200000100762_100000210624 [0,1,0,1,0,0|2,0,0]=4 6853 B17R2.5006 CC(C)COc1cc2ccccc2nc1Cl 7a_200000100762_100000210760 [0,1,0,1,0,0|2,0,0]=4 6854 B17R2.5006 CC(C)COc1cc2ccccc2oc1=O 7a_100000061252_100000210760 [0,1,0,1,0,0|2,0,0]=4 6855 B17R2.5006 CC(C)COc1cc2cccnc2cc1Br 34a_200010153759_100000210624 [0,1,0,1,0,0|2,0,0]=4 6856 B17R2.5006 CC(C)COc1cc2cccnc2cc1Br 7a_200010153759_100000210760 [0,1,0,1,0,0|2,0,0]=4 6857 B17R2.5006 CC(C)CSc1cc2ccccc2cc1Br 62a_100000210624_200010169544 [0,1,0,1,0,0|1,1,0]=4 6858 B17R2.5006 CC(C)CSc1cc2ccccc2cc1Br 62a_200010169544_100000210760 [0,1,0,1,0,0|1,1,0]=4 6859 B17R2.5006 CC(C)CSc1cc2ccccc2cc1Cl 62a_100000210624_100010152806 [0,1,0,1,0,0|1,1,0]=4 6860 B17R2.5006 CC(C)CSc1cc2ccccc2cc1Cl 62a_100010152806_100000210760 [0,1,0,1,0,0|1,1,0]=4 6861 B17R2.5006 CC(C)CSc1cc2ccccc2cc1N 62a_100000210624_100009991566 [0,1,0,1,0,0|1,1,0]=4 6862 B17R2.5006 CC(C)CSc1cc2ccccc2cc1N 62a_100009991566_100000210760 [0,1,0,1,0,0|1,1,0]=4 6863 B17R2.5006 CC(C)CSc1cc2ccccc2cc1O 62a_100000210624_100009817189 [0,1,0,1,0,0|1,1,0]=4 6864 B17R2.5006 CC(C)CSc1nc2ccccc2cc1Br 62a_100000210624_100010072790 [0,1,0,1,0,0|1,1,0]=4 6865 B17R2.5006 CC(C)CSc1nc2ccccc2cc1Br 62a_100010072790_100000210760 [0,1,0,1,0,0|1,1,0]=4 6866 B17R2.5006 CC(C)CSc1nc2ccccc2cc1O 62a_100000210624_200000100762 [0,1,0,1,0,0|1,1,0]=4 6867 B17R2.5006 CC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100011218427 [0,1,0,1,0,0|2,0,0]=4 6868 B17R2.5006 CC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100011218427 [0,1,0,1,0,0|2,0,0]=4 6869 B17R2.5006 CC(O)COc1cc2ccccc2cc1N 34a_106744474703_100011218427 [0,1,0,1,0,0|2,0,0]=4 6870 B17R2.5006 CC(O)COc1cc2ccccc2cc1N 7a_106744474703_100011218427 [0,1,0,1,0,0|2,0,0]=4 6871 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1Br 34a_100009817189_100009817552 [0,1,0,1,0,0|2,0,0]=4 6872 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1Br 7a_100009817189_100009817552 [0,1,0,1,0,0|2,0,0]=4 6873 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1N 34a_106744474703_100009817552 [0,1,0,1,0,0|2,0,0]=4 6874 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1N 7a_106744474703_100009817552 [0,1,0,1,0,0|2,0,0]=4 6875 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)C 34a_100000091601_100000210624 [0,1,0,1,0,0|1,0,0]=3 6876 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)C 7a_100000091601_100000210760 [0,1,0,1,0,0|1,0,0]=3 6877 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)O 34a_100000091601_100011218427 [0,1,0,1,0,0|2,0,0]=4 6878 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)O 7a_100000091601_100011218427 [0,1,0,1,0,0|2,0,0]=4 6879 B17R2.5006 Cc1cc2ccccc2cc1OC[C@@H](C)O 34a_100000091601_100009817552 [0,1,0,1,0,0|2,0,0]=4 6880 B17R2.5006 Cc1cc2ccccc2cc1OC[C@@H](C)O 7a_100000091601_100009817552 [0,1,0,1,0,0|2,0,0]=4 6881 B17R2.5006 Cc1cc2ccccc2nc1NCC(C)C 27a_100000210953_100000751756 [0,1,0,1,0,0|2,0,0]=4 6882 B17R2.5006 Cc1cc2ccccc2nc1SCC(C)C 62a_100000210624_100000751756 [0,1,0,1,0,0|1,1,0]=4 6883 B17R2.5006 Cc1nc2ccccc2cc1OCC(C)C 34a_200000079175_100000210624 [0,1,0,1,0,0|2,0,0]=4 6884 B17R2.5006 Cc1nc2ccccc2cc1OCC(C)C 7a_200000079175_100000210760 [0,1,0,1,0,0|2,0,0]=4 6885 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)CCC2CC2 1458a_100016990649_100000694398 [0,1,0,1,0,0|1,0,0]=3 6886 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)CCC2CO2 1458a_100016990649_100000732470 [0,1,0,1,0,0|2,0,0]=4 6887 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NCC2CC2 11a_100000735609_100016990649 [0,1,0,1,0,0|1,0,0]=3 6888 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NCC2CC2 1626a_100000735609_100016990649 [0,1,0,1,0,0|1,0,0]=3 6889 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NCC2CC2 527a_100000735609_100016990649 [0,1,0,1,0,0|1,0,0]=3 6890 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NNC2CC2 22a_100000701032_100016990649 [0,1,0,1,0,0|2,0,0]=4 6891 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)CCC2CC2 1458a_100025712827_100000694398 [0,1,0,1,0,0|2,0,0]=4 6892 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)NCC2CC2 11a_100000735609_100025712827 [0,1,0,1,0,0|2,0,0]=4 6893 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)NCC2CC2 1626a_100000735609_100025712827 [0,1,0,1,0,0|2,0,0]=4 6894 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)NCC2CC2 527a_100000735609_100025712827 [0,1,0,1,0,0|2,0,0]=4 6895 B17R2.45673 C=C(Cc1ccccc1)C(=O)NCC2CC2 11a_100000735609_100000066491 [0,1,0,1,0,0|1,0,1]=4 6896 B17R2.45673 C=C(Cc1ccccc1)C(=O)NCC2CC2 1626a_100000735609_100000066491 [0,1,0,1,0,0|1,0,1]=4 6897 B17R2.45673 O=C(CCC1CC1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000694398 [0,1,0,1,0,0|1,0,0]=3 6898 B17R2.45673 O=C(CCC1CC1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000694398 [0,1,0,1,0,0|1,0,0]=3 6899 B17R2.45673 O=C(CCC1CC1)C(=Cc2cccnc2)F 1458a_100000731744_100000694398 [0,1,0,1,0,0|2,0,0]=4 6900 B17R2.45673 O=C(CCC1CC1)C(=O)Nc2ccccc2 1458a_100000738435_100000694398 [0,1,0,1,0,0|2,0,0]=4 6901 B17R2.45673 O=C(CCC1CO1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000732470 [0,1,0,1,0,0|2,0,0]=4 6902 B17R2.45673 O=C(CCC1CO1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000732470 [0,1,0,1,0,0|2,0,0]=4 6903 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 11a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 6904 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 1626a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 6905 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 240690a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 6906 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 527a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 6907 B17R2.45673 O=C(NCC1CC1)/C(=C\c2ccccc2)/F 11a_100000735609_100020889036 [0,1,0,1,0,0|1,0,0]=3 6908 B17R2.45673 O=C(NCC1CC1)/C(=C\c2ccccc2)/F 527a_100000735609_100020889036 [0,1,0,1,0,0|1,0,0]=3 6909 B17R2.45673 O=C(NCC1CC1)C(=Cc2cccnc2)F 11a_100000735609_100000731744 [0,1,0,1,0,0|2,0,0]=4 6910 B17R2.45673 O=C(NCC1CC1)C(=Cc2cccnc2)F 240690a_100000735609_100000731744 [0,1,0,1,0,0|2,0,0]=4 6911 B17R2.45673 O=C(NCC1CC1)C(=Cc2cccnc2)F 527a_100000735609_100000731744 [0,1,0,1,0,0|2,0,0]=4 6912 B17R2.45673 O=C(NCC1CC1)C(=O)Nc2ccccc2 240690a_100000735609_100000738435 [0,1,0,1,0,0|2,0,0]=4 6913 B17R2.45673 O=C(NNC1CC1)/C(=C/c2ccccc2)/Cl 22a_100000701032_200020598536 [0,1,0,1,0,0|2,0,0]=4 6914 B17R2.45673 O=C(NNC1CC1)/C(=C\c2ccccc2)/F 22a_100000701032_100020889036 [0,1,0,1,0,0|2,0,0]=4 6915 B17R2.556 CC(CO)CNc1ccc2ccccc2n1 27a_100000744482_100011291633 [0,1,0,1,0,0|2,0,0]=4 6916 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748023 [0,1,0,1,0,0|2,0,0]=4 6917 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748023 [0,1,0,1,0,0|2,0,0]=4 6918 B17R2.556 CCC(C)CNc1ccc2ccccc2n1 27a_100020588543_100011291633 [0,1,0,1,0,0|2,0,0]=4 6919 B17R2.556 CCC(C)COc1ccc2ccccc2c1 34a_100000185828_100000748023 [0,1,0,1,0,0|1,0,0]=3 6920 B17R2.556 CCC(C)COc1ccc2ccccc2c1 7a_100000185828_100000748023 [0,1,0,1,0,0|1,0,0]=3 6921 B17R2.556 CCC(C)COc1ccc2cccnc2c1 34a_100011216045_100000748023 [0,1,0,1,0,0|2,0,0]=4 6922 B17R2.556 CCC(C)COc1ccc2ccncc2c1 7a_100000752006_100000748023 [0,1,0,1,0,0|2,0,0]=4 6923 B17R2.556 CCC(C)COc1ccc2cnccc2c1 34a_100000046372_100000748023 [0,1,0,1,0,0|2,0,0]=4 6924 B17R2.556 CCC(C)COc1ccc2cnccc2c1 7a_100000046372_100000748023 [0,1,0,1,0,0|2,0,0]=4 6925 B17R2.556 CCC(C)COc1ccc2ncccc2c1 34a_100011215586_100000748023 [0,1,0,1,0,0|2,0,0]=4 6926 B17R2.556 CCC(C)COc1ccc2ncccc2c1 7a_100011215586_100000748023 [0,1,0,1,0,0|2,0,0]=4 6927 B17R2.556 CCC(C)COc1cnc2ccccc2c1 34a_100011934006_100000748023 [0,1,0,1,0,0|2,0,0]=4 6928 B17R2.556 CCC(C)COc1cnc2ccccc2c1 7a_100011934006_100000748023 [0,1,0,1,0,0|2,0,0]=4 6929 B17R2.556 CCC(C)CSc1ccc2ccccc2c1 62a_100000748023_100000233703 [0,1,0,1,0,0|1,1,0]=4 6930 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100000748023_100011291633 [0,1,0,1,0,0|1,1,0]=4 6931 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000748023 [0,1,0,1,0,0|1,1,0]=4 6932 B17R2.556 CCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218378 [0,1,0,1,0,0|2,0,0]=4 6933 B17R2.556 CCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218378 [0,1,0,1,0,0|2,0,0]=4 6934 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 34a_100000211940_100009816398 [0,1,0,1,0,0|2,0,0]=4 6935 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 7a_100000211940_100009816398 [0,1,0,1,0,0|2,0,0]=4 6936 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 34a_100000185828_100009816398 [0,1,0,1,0,0|1,0,0]=3 6937 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 7a_100000185828_100009816398 [0,1,0,1,0,0|1,0,0]=3 6938 B17R2.556 CC[C@H](C)COc1ccc2cccnc2c1 34a_100011216045_100009816398 [0,1,0,1,0,0|2,0,0]=4 6939 B17R2.556 CC[C@H](C)COc1ccc2ccncc2c1 7a_100000752006_100009816398 [0,1,0,1,0,0|2,0,0]=4 6940 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 34a_100000046372_100009816398 [0,1,0,1,0,0|2,0,0]=4 6941 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 7a_100000046372_100009816398 [0,1,0,1,0,0|2,0,0]=4 6942 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 34a_100011215586_100009816398 [0,1,0,1,0,0|2,0,0]=4 6943 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 7a_100011215586_100009816398 [0,1,0,1,0,0|2,0,0]=4 6944 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 34a_100011934006_100009816398 [0,1,0,1,0,0|2,0,0]=4 6945 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 7a_100011934006_100009816398 [0,1,0,1,0,0|2,0,0]=4 6946 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2c1 62a_100009816398_100000233703 [0,1,0,1,0,0|1,1,0]=4 6947 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100009816398_100011291633 [0,1,0,1,0,0|1,1,0]=4 6948 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100011291633_100009816398 [0,1,0,1,0,0|1,1,0]=4 6949 B17R2.556 CO[C@H](C)CNc1ccc2ccccc2n1 27a_100020591295_100011291633 [0,1,0,1,0,0|2,0,0]=4 6950 B17R2.556 C[C@@H](CO)CNc1ccc2ccccc2c1 34a_100000211940_100000059175 [0,1,0,1,0,0|2,0,0]=4 6951 B17R2.556 C[C@@H](CO)CNc1ccc2ccccc2c1 7a_100000211940_100000059175 [0,1,0,1,0,0|2,0,0]=4 6952 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 34a_100000185828_100000059175 [0,1,0,1,0,0|1,0,0]=3 6953 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 7a_100000185828_100000059175 [0,1,0,1,0,0|1,0,0]=3 6954 B17R2.556 C[C@@H](CO)COc1ccc2cccnc2c1 34a_100011216045_100000059175 [0,1,0,1,0,0|2,0,0]=4 6955 B17R2.556 C[C@@H](CO)COc1ccc2ccncc2c1 7a_100000752006_100000059175 [0,1,0,1,0,0|2,0,0]=4 6956 B17R2.556 C[C@@H](CO)COc1ccc2cnccc2c1 34a_100000046372_100000059175 [0,1,0,1,0,0|2,0,0]=4 6957 B17R2.556 C[C@@H](CO)COc1ccc2cnccc2c1 7a_100000046372_100000059175 [0,1,0,1,0,0|2,0,0]=4 6958 B17R2.556 C[C@@H](CO)COc1ccc2ncccc2c1 34a_100011215586_100000059175 [0,1,0,1,0,0|2,0,0]=4 6959 B17R2.556 C[C@@H](CO)COc1ccc2ncccc2c1 7a_100011215586_100000059175 [0,1,0,1,0,0|2,0,0]=4 6960 B17R2.556 C[C@@H](CO)COc1cnc2ccccc2c1 34a_100011934006_100000059175 [0,1,0,1,0,0|2,0,0]=4 6961 B17R2.556 C[C@@H](CO)COc1cnc2ccccc2c1 7a_100011934006_100000059175 [0,1,0,1,0,0|2,0,0]=4 6962 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2c1 62a_100000059175_100000233703 [0,1,0,1,0,0|1,1,0]=4 6963 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2n1 62a_100000059175_100011291633 [0,1,0,1,0,0|1,1,0]=4 6964 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2n1 62a_100011291633_100000059175 [0,1,0,1,0,0|1,1,0]=4 6965 B17R2.556 OCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011219619 [0,1,0,1,0,0|2,0,0]=4 6966 B17R2.556 OCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011219619 [0,1,0,1,0,0|2,0,0]=4 6967 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009815848 [0,1,0,1,0,0|2,0,0]=4 6968 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009815848 [0,1,0,1,0,0|2,0,0]=4 6969 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 34a_100000185828_100015614560 [0,1,0,1,0,0|2,0,0]=4 6970 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 7a_100000185828_100015614560 [0,1,0,1,0,0|2,0,0]=4 6971 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccc2 11a_100015205115_100000210462 [0,1,0,1,0,0|1,0,0]=3 6972 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccc2 1626a_100015205115_100000210462 [0,1,0,1,0,0|1,0,0]=3 6973 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccn2 11a_100015205115_100000740811 [0,1,0,1,0,0|2,0,0]=4 6974 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccn2 240690a_100015205115_100000740811 [0,1,0,1,0,0|2,0,0]=4 6975 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2cccnc2 11a_100015205115_100000735890 [0,1,0,1,0,0|2,0,0]=4 6976 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2cccnc2 240690a_100015205115_100000735890 [0,1,0,1,0,0|2,0,0]=4 6977 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccncc2 240690a_100015205115_100000682801 [0,1,0,1,0,0|2,0,0]=4 6978 B17R2.1671 COC1CN(C1)C(=O)C=Cc2ccccc2 11a_100000755009_100000210462 [0,1,0,1,0,0|1,0,0]=3 6979 B17R2.1671 COC1CN(C1)C(=O)C=Cc2ccccc2 1626a_100000755009_100000210462 [0,1,0,1,0,0|1,0,0]=3 6980 B17R2.1671 COC1CN(C1)C(=O)C=Cc2ccccn2 11a_100000755009_100000740811 [0,1,0,1,0,0|2,0,0]=4 6981 B17R2.1671 COC1CN(C1)C(=O)C=Cc2ccccn2 240690a_100000755009_100000740811 [0,1,0,1,0,0|2,0,0]=4 6982 B17R2.1671 COC1CN(C1)C(=O)C=Cc2cccnc2 11a_100000755009_100000735890 [0,1,0,1,0,0|2,0,0]=4 6983 B17R2.1671 COC1CN(C1)C(=O)C=Cc2cccnc2 240690a_100000755009_100000735890 [0,1,0,1,0,0|2,0,0]=4 6984 B17R2.1671 COC1CN(C1)C(=O)C=Cc2ccncc2 240690a_100000755009_100000682801 [0,1,0,1,0,0|2,0,0]=4 6985 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2ccccc2 11a_100016990038_100000210462 [0,1,0,1,0,0|1,0,0]=3 6986 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2ccccc2 1626a_100016990038_100000210462 [0,1,0,1,0,0|1,0,0]=3 6987 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2ccccn2 11a_100016990038_100000740811 [0,1,0,1,0,0|2,0,0]=4 6988 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2ccccn2 240690a_100016990038_100000740811 [0,1,0,1,0,0|2,0,0]=4 6989 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2cccnc2 11a_100016990038_100000735890 [0,1,0,1,0,0|2,0,0]=4 6990 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2cccnc2 240690a_100016990038_100000735890 [0,1,0,1,0,0|2,0,0]=4 6991 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2ccncc2 240690a_100016990038_100000682801 [0,1,0,1,0,0|2,0,0]=4 6992 B17R2.1671 N#CC1CN(C1)C(=O)C=Cc2ccccc2 11a_100015195279_100000210462 [0,1,0,1,0,0|1,0,1]=4 6993 B17R2.1671 O=C(C=Cc1ccccc1)N2CC(C2)CF 11a_100010363649_100000210462 [0,1,0,1,0,0|1,0,0]=3 6994 B17R2.1671 O=C(C=Cc1ccccn1)N2CC(C2)CF 11a_100010363649_100000740811 [0,1,0,1,0,0|2,0,0]=4 6995 B17R2.1671 O=C(C=Cc1ccccn1)N2CC(C2)CF 240690a_100010363649_100000740811 [0,1,0,1,0,0|2,0,0]=4 6996 B17R2.1671 O=C(C=Cc1ccccn1)N2CC(C2)CO 240690a_100016987283_100000740811 [0,1,0,1,0,0|2,0,0]=4 6997 B17R2.1671 O=C(C=Cc1cccnc1)N2CC(C2)CF 11a_100010363649_100000735890 [0,1,0,1,0,0|2,0,0]=4 6998 B17R2.1671 O=C(C=Cc1cccnc1)N2CC(C2)CF 240690a_100010363649_100000735890 [0,1,0,1,0,0|2,0,0]=4 6999 B17R2.1671 O=C(C=Cc1cccnc1)N2CC(C2)CO 240690a_100016987283_100000735890 [0,1,0,1,0,0|2,0,0]=4 7000 B17R2.1671 O=C(C=Cc1ccncc1)N2CC(C2)CF 240690a_100010363649_100000682801 [0,1,0,1,0,0|2,0,0]=4 7001 B17R2.1671 O=C(C=Cc1ccncc1)N2CC(C2)CO 240690a_100016987283_100000682801 [0,1,0,1,0,0|2,0,0]=4 7002 B17R2.5078 C[C@H]1[C@H](CN1C(=O)C=Cc2ccccc2)O 11a_206633788156_100000210462 [0,1,0,1,0,0|2,0,0]=4 7003 B17R2.76752 O=C(C=Cc1ccccc1)NCC2CCC2 11a_100000738700_100000210462 [0,1,0,1,0,0|1,0,0]=3 7004 B17R2.76752 O=C(C=Cc1ccccc1)NCC2CCC2 1626a_100000738700_100000210462 [0,1,0,1,0,0|1,0,0]=3 7005 B17R2.76752 O=C(C=Cc1ccccc1)NCC2COC2 11a_100015281925_100000210462 [0,1,0,1,0,0|1,0,0]=3 7006 B17R2.76752 O=C(C=Cc1ccccc1)NCC2COC2 1626a_100015281925_100000210462 [0,1,0,1,0,0|1,0,0]=3 7007 B17R2.76752 O=C(C=Cc1ccccc1)NC[C@@H]2CCO2 11a_100020831831_100000210462 [0,1,0,1,0,0|1,0,0]=3 7008 B17R2.76752 O=C(C=Cc1ccccc1)NC[C@@H]2CCO2 1626a_100020831831_100000210462 [0,1,0,1,0,0|1,0,0]=3 7009 B17R2.76752 O=C(C=Cc1ccccc1)NNC2CCC2 22a_100000736358_100000210462 [0,1,0,1,0,0|2,0,0]=4 7010 B17R2.76752 O=C(C=Cc1ccccc1)NNC2COC2 22a_100015188821_100000210462 [0,1,0,1,0,0|2,0,0]=4 7011 B17R2.76752 O=C(C=Cc1ccccn1)NCC2CCC2 11a_100000738700_100000740811 [0,1,0,1,0,0|2,0,0]=4 7012 B17R2.76752 O=C(C=Cc1ccccn1)NCC2CCC2 240690a_100000738700_100000740811 [0,1,0,1,0,0|2,0,0]=4 7013 B17R2.76752 O=C(C=Cc1ccccn1)NCC2COC2 11a_100015281925_100000740811 [0,1,0,1,0,0|2,0,0]=4 7014 B17R2.76752 O=C(C=Cc1ccccn1)NCC2COC2 240690a_100015281925_100000740811 [0,1,0,1,0,0|2,0,0]=4 7015 B17R2.76752 O=C(C=Cc1ccccn1)NC[C@@H]2CCO2 11a_100020831831_100000740811 [0,1,0,1,0,0|2,0,0]=4 7016 B17R2.76752 O=C(C=Cc1ccccn1)NC[C@@H]2CCO2 240690a_100020831831_100000740811 [0,1,0,1,0,0|2,0,0]=4 7017 B17R2.76752 O=C(C=Cc1cccnc1)NCC2CCC2 11a_100000738700_100000735890 [0,1,0,1,0,0|2,0,0]=4 7018 B17R2.76752 O=C(C=Cc1cccnc1)NCC2CCC2 240690a_100000738700_100000735890 [0,1,0,1,0,0|2,0,0]=4 7019 B17R2.76752 O=C(C=Cc1cccnc1)NCC2COC2 11a_100015281925_100000735890 [0,1,0,1,0,0|2,0,0]=4 7020 B17R2.76752 O=C(C=Cc1cccnc1)NCC2COC2 240690a_100015281925_100000735890 [0,1,0,1,0,0|2,0,0]=4 7021 B17R2.76752 O=C(C=Cc1cccnc1)NC[C@@H]2CCO2 11a_100020831831_100000735890 [0,1,0,1,0,0|2,0,0]=4 7022 B17R2.76752 O=C(C=Cc1cccnc1)NC[C@@H]2CCO2 240690a_100020831831_100000735890 [0,1,0,1,0,0|2,0,0]=4 7023 B17R2.76752 O=C(C=Cc1ccncc1)NCC2CCC2 240690a_100000738700_100000682801 [0,1,0,1,0,0|2,0,0]=4 7024 B17R2.76752 O=C(C=Cc1ccncc1)NCC2COC2 240690a_100015281925_100000682801 [0,1,0,1,0,0|2,0,0]=4 7025 B17R2.76752 O=C(C=Cc1ccncc1)NC[C@@H]2CCO2 240690a_100020831831_100000682801 [0,1,0,1,0,0|2,0,0]=4 7026 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccc2 11a_100000766693_100000210462 [0,1,0,1,0,0|1,0,0]=3 7027 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccc2 1626a_100000766693_100000210462 [0,1,0,1,0,0|1,0,0]=3 7028 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccn2 11a_100000766693_100000740811 [0,1,0,1,0,0|2,0,0]=4 7029 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccn2 240690a_100000766693_100000740811 [0,1,0,1,0,0|2,0,0]=4 7030 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2cccnc2 11a_100000766693_100000735890 [0,1,0,1,0,0|2,0,0]=4 7031 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2cccnc2 240690a_100000766693_100000735890 [0,1,0,1,0,0|2,0,0]=4 7032 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccncc2 240690a_100000766693_100000682801 [0,1,0,1,0,0|2,0,0]=4 7033 B17R2.76770 O=C(C=Cc1ccccc1)NCC2(CC2)O 11a_100011936951_100000210462 [0,1,0,1,0,0|1,0,0]=3 7034 B17R2.76770 O=C(C=Cc1ccccn1)NCC2(CC2)O 11a_100011936951_100000740811 [0,1,0,1,0,0|2,0,0]=4 7035 B17R2.76770 O=C(C=Cc1ccccn1)NCC2(CC2)O 240690a_100011936951_100000740811 [0,1,0,1,0,0|2,0,0]=4 7036 B17R2.76770 O=C(C=Cc1cccnc1)NCC2(CC2)O 11a_100011936951_100000735890 [0,1,0,1,0,0|2,0,0]=4 7037 B17R2.76770 O=C(C=Cc1cccnc1)NCC2(CC2)O 240690a_100011936951_100000735890 [0,1,0,1,0,0|2,0,0]=4 7038 B17R2.76770 O=C(C=Cc1ccncc1)NCC2(CC2)O 240690a_100011936951_100000682801 [0,1,0,1,0,0|2,0,0]=4 7039 B17R2.41426 CC1CN(C1)S(=O)(=O)C=Cc2ccccc2 40a_100000702820_100011098038 [0,1,0,1,0,0|2,0,0]=4 7040 B17R2.726603 O=S(=O)(C=Cc1ccccc1)NCC2CC2 40a_100000735609_100011098038 [0,1,0,1,0,0|2,0,0]=4 7041 B17R2.9167 CC(C)C(C)Nc1ccc2ccccc2n1 27a_100000211541_100011291633 [0,1,0,1,0,0|2,0,0]=4 7042 B17R2.76771 CC(NC(=O)C=Cc1ccccc1)C2CC2 11a_100000700016_100000210462 [0,1,0,1,0,0|1,0,0]=3 7043 B17R2.76771 CC(NC(=O)C=Cc1ccccc1)C2CC2 1626a_100000700016_100000210462 [0,1,0,1,0,0|1,0,0]=3 7044 B17R2.76771 CC(NC(=O)C=Cc1ccccn1)C2CC2 11a_100000700016_100000740811 [0,1,0,1,0,0|2,0,0]=4 7045 B17R2.76771 CC(NC(=O)C=Cc1ccccn1)C2CC2 240690a_100000700016_100000740811 [0,1,0,1,0,0|2,0,0]=4 7046 B17R2.76771 CC(NC(=O)C=Cc1cccnc1)C2CC2 11a_100000700016_100000735890 [0,1,0,1,0,0|2,0,0]=4 7047 B17R2.76771 CC(NC(=O)C=Cc1cccnc1)C2CC2 240690a_100000700016_100000735890 [0,1,0,1,0,0|2,0,0]=4 7048 B17R2.76771 CC(NC(=O)C=Cc1ccncc1)C2CC2 240690a_100000700016_100000682801 [0,1,0,1,0,0|2,0,0]=4 7049 B17R2.76771 O=C(C=Cc1ccccc1)CC(=O)C2CC2 1458a_100000210462_100000746382 [0,1,0,1,0,0|1,0,1]=4 7050 B17R2.1989 CC(C)Oc1c(ccc2c1cccc2)N=O 34a_100000212301_100000210206 [0,1,0,1,0,0|2,0,0]=4 7051 B17R2.1989 CC(C)Sc1c(ccc2c1cccc2)C=O 62a_100000210206_100009813496 [0,1,0,1,0,0|2,0,0]=4 7052 B17R2.1989 CC(C)Sc1c(ccc2c1cccc2)C=O 62a_100009813496_100000210206 [0,1,0,1,0,0|2,0,0]=4 7053 B17R2.155580 CC(C)CNc1ccc2ccccc2c1Br 34a_100000705303_100000210624 [0,1,0,1,0,0|2,0,0]=4 7054 B17R2.155580 CC(C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000210624 [0,1,0,1,0,0|2,0,0]=4 7055 B17R2.155580 CC(C)CNc1ccc2ccccc2c1O 34a_100000007060_100000210624 [0,1,0,1,0,0|1,0,1]=4 7056 B17R2.155580 CC(C)COc1ccc2ccccc2c1Br 34a_100000183829_100000210624 [0,1,0,1,0,0|1,0,0]=3 7057 B17R2.155580 CC(C)COc1ccc2ccccc2c1Br 7a_100000183829_100000210760 [0,1,0,1,0,0|1,0,0]=3 7058 B17R2.155580 CC(C)COc1ccc2ccccc2c1Cl 34a_100000029778_100000210624 [0,1,0,1,0,0|1,0,0]=3 7059 B17R2.155580 CC(C)COc1ccc2ccccc2c1Cl 7a_100000029778_100000210760 [0,1,0,1,0,0|1,0,0]=3 7060 B17R2.155580 CC(C)COc1ccc2ccccc2c1I 34a_100000041551_100000210624 [0,1,0,1,0,0|1,0,0]=3 7061 B17R2.155580 CC(C)COc1ccc2ccccc2c1I 7a_100000041551_100000210760 [0,1,0,1,0,0|1,0,0]=3 7062 B17R2.155580 CC(C)COc1ccc2ccccc2c1N 34a_100000007056_100000210624 [0,1,0,1,0,0|1,0,0]=3 7063 B17R2.155580 CC(C)COc1ccc2ccccc2c1N 7a_100000007056_100000210760 [0,1,0,1,0,0|1,0,0]=3 7064 B17R2.155580 CC(C)COc1ccc2cccnc2c1Br 34a_100010173343_100000210624 [0,1,0,1,0,0|2,0,0]=4 7065 B17R2.155580 CC(C)COc1ccc2cccnc2c1Br 7a_100010173343_100000210760 [0,1,0,1,0,0|2,0,0]=4 7066 B17R2.155580 CC(C)COc1ccc2ccncc2c1Br 34a_200010115057_100000210624 [0,1,0,1,0,0|2,0,0]=4 7067 B17R2.155580 CC(C)COc1ccc2ccncc2c1Br 7a_200010115057_100000210760 [0,1,0,1,0,0|2,0,0]=4 7068 B17R2.155580 CC(C)COc1ccc2cnccc2c1Cl 34a_100009824633_100000210624 [0,1,0,1,0,0|2,0,0]=4 7069 B17R2.155580 CC(C)COc1ccc2cnccc2c1Cl 7a_100009824633_100000210760 [0,1,0,1,0,0|2,0,0]=4 7070 B17R2.155580 CC(C)CSc1c[nH]c2ccccc2c1=O 62a_100000210624_100012348052 [0,1,0,1,0,0|1,1,0]=4 7071 B17R2.155580 CC(C)CSc1ccc2ccccc2c1Br 62a_100000210624_200010089984 [0,1,0,1,0,0|1,1,0]=4 7072 B17R2.155580 CC(C)CSc1ccc2ccccc2c1Br 62a_200010089984_100000210760 [0,1,0,1,0,0|1,1,0]=4 7073 B17R2.155580 CC(C)CSc1ccc2ccccc2c1F 62a_100000210624_100009832041 [0,1,0,1,0,0|1,1,0]=4 7074 B17R2.155580 CC(C)CSc1ccc2ccccc2c1F 62a_100009832041_100000210760 [0,1,0,1,0,0|1,1,0]=4 7075 B17R2.155580 CC(C)CSc1ccc2ccccc2c1N 62a_100009817101_100000210760 [0,1,0,1,0,0|1,1,0]=4 7076 B17R2.155580 CC(C)CSc1ccc2ccccc2c1O 62a_100000210624_100009996032 [0,1,0,1,0,0|0,1,1]=4 7077 B17R2.155580 CC(C)CSc1coc2ccccc2c1=O 62a_100000210624_100009813851 [0,1,0,1,0,0|1,1,0]=4 7078 B17R2.155580 CC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100011218427 [0,1,0,1,0,0|2,0,0]=4 7079 B17R2.155580 CC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100011218427 [0,1,0,1,0,0|2,0,0]=4 7080 B17R2.155580 CC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100011218427 [0,1,0,1,0,0|2,0,0]=4 7081 B17R2.155580 CC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100011218427 [0,1,0,1,0,0|2,0,0]=4 7082 B17R2.155580 CC(O)COc1ccc2ccccc2c1I 34a_100000041551_100011218427 [0,1,0,1,0,0|2,0,0]=4 7083 B17R2.155580 CC(O)COc1ccc2ccccc2c1I 7a_100000041551_100011218427 [0,1,0,1,0,0|2,0,0]=4 7084 B17R2.155580 CC(O)COc1ccc2ccccc2c1N 34a_100000007056_100011218427 [0,1,0,1,0,0|2,0,0]=4 7085 B17R2.155580 CC(O)COc1ccc2ccccc2c1N 7a_100000007056_100011218427 [0,1,0,1,0,0|2,0,0]=4 7086 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Br 34a_100000183829_100009817552 [0,1,0,1,0,0|2,0,0]=4 7087 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Br 7a_100000183829_100009817552 [0,1,0,1,0,0|2,0,0]=4 7088 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Cl 34a_100000029778_100009817552 [0,1,0,1,0,0|2,0,0]=4 7089 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Cl 7a_100000029778_100009817552 [0,1,0,1,0,0|2,0,0]=4 7090 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1I 34a_100000041551_100009817552 [0,1,0,1,0,0|2,0,0]=4 7091 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1I 7a_100000041551_100009817552 [0,1,0,1,0,0|2,0,0]=4 7092 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1N 34a_100000007056_100009817552 [0,1,0,1,0,0|2,0,0]=4 7093 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1N 7a_100000007056_100009817552 [0,1,0,1,0,0|2,0,0]=4 7094 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)C 34a_100009830054_100000210624 [0,1,0,1,0,0|1,0,0]=3 7095 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)C 7a_100009830054_100000210760 [0,1,0,1,0,0|1,0,0]=3 7096 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)O 34a_100009830054_100011218427 [0,1,0,1,0,0|2,0,0]=4 7097 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)O 7a_100009830054_100011218427 [0,1,0,1,0,0|2,0,0]=4 7098 B17R2.155580 Cc1c(ccc2c1cccc2)OC[C@@H](C)O 34a_100009830054_100009817552 [0,1,0,1,0,0|2,0,0]=4 7099 B17R2.155580 Cc1c(ccc2c1cccc2)OC[C@@H](C)O 7a_100009830054_100009817552 [0,1,0,1,0,0|2,0,0]=4 7100 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(C)C 62a_100000210624_100010221197 [0,1,0,1,0,0|1,1,0]=4 7101 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(C)C 62a_100010221197_100000210760 [0,1,0,1,0,0|1,1,0]=4 7102 B17R2.18967 CC(C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210624 [0,1,0,1,0,0|2,0,0]=4 7103 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210760 [0,1,0,1,0,0|2,0,0]=4 7104 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210624 [0,1,0,1,0,0|2,0,0]=4 7105 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2c1 34a_100000181211_100000210624 [0,1,0,1,0,0|2,0,0]=4 7106 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2n1 27a_100000747067_100011291633 [0,1,0,1,0,0|2,0,0]=4 7107 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccccc2c1 271570a_100015190218_100000233703 [0,1,0,1,0,0|2,0,0]=4 7108 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccccc2n1 271570a_100015190218_100011291633 [0,1,0,1,0,0|2,0,0]=4 7109 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccc2)C 11a_100000753659_100000210462 [0,1,0,1,0,0|1,0,0]=3 7110 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccc2)C 1626a_100000753659_100000210462 [0,1,0,1,0,0|1,0,0]=3 7111 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccc2)F 11a_100000696199_100000210462 [0,1,0,1,0,0|1,0,0]=3 7112 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccc2)F 1626a_100000696199_100000210462 [0,1,0,1,0,0|1,0,0]=3 7113 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccc2)O 11a_100000718560_100000210462 [0,1,0,1,0,0|1,0,0]=3 7114 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccn2)C 11a_100000753659_100000740811 [0,1,0,1,0,0|2,0,0]=4 7115 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccn2)C 240690a_100000753659_100000740811 [0,1,0,1,0,0|2,0,0]=4 7116 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccn2)F 11a_100000696199_100000740811 [0,1,0,1,0,0|2,0,0]=4 7117 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccn2)F 240690a_100000696199_100000740811 [0,1,0,1,0,0|2,0,0]=4 7118 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccn2)O 11a_100000718560_100000740811 [0,1,0,1,0,0|2,0,0]=4 7119 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccccn2)O 240690a_100000718560_100000740811 [0,1,0,1,0,0|2,0,0]=4 7120 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2cccnc2)C 11a_100000753659_100000735890 [0,1,0,1,0,0|2,0,0]=4 7121 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2cccnc2)C 240690a_100000753659_100000735890 [0,1,0,1,0,0|2,0,0]=4 7122 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2cccnc2)F 11a_100000696199_100000735890 [0,1,0,1,0,0|2,0,0]=4 7123 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2cccnc2)F 240690a_100000696199_100000735890 [0,1,0,1,0,0|2,0,0]=4 7124 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2cccnc2)O 11a_100000718560_100000735890 [0,1,0,1,0,0|2,0,0]=4 7125 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2cccnc2)O 240690a_100000718560_100000735890 [0,1,0,1,0,0|2,0,0]=4 7126 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccncc2)C 240690a_100000753659_100000682801 [0,1,0,1,0,0|2,0,0]=4 7127 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccncc2)F 240690a_100000696199_100000682801 [0,1,0,1,0,0|2,0,0]=4 7128 B17R2.76751 CC1(CN(C1)C(=O)C=Cc2ccncc2)O 240690a_100000718560_100000682801 [0,1,0,1,0,0|2,0,0]=4 7129 B17R2.76751 O=C(C=Cc1ccccc1)C2CC(C2)(F)F 1458a_100000210462_100010741680 [0,1,0,1,0,0|2,0,0]=4 7130 B17R2.76751 O=C(C=Cc1ccccc1)N2CC(C2)(F)F 1626a_100000684464_100000210462 [0,1,0,1,0,0|2,0,0]=4 7131 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccc2 11a_100000741881_100000210462 [0,1,0,1,0,0|1,0,0]=3 7132 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccc2 1626a_100000741881_100000210462 [0,1,0,1,0,0|1,0,0]=3 7133 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccn2 11a_100000741881_100000740811 [0,1,0,1,0,0|2,0,0]=4 7134 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccn2 240690a_100000741881_100000740811 [0,1,0,1,0,0|2,0,0]=4 7135 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2cccnc2 11a_100000741881_100000735890 [0,1,0,1,0,0|2,0,0]=4 7136 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2cccnc2 240690a_100000741881_100000735890 [0,1,0,1,0,0|2,0,0]=4 7137 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccncc2 240690a_100000741881_100000682801 [0,1,0,1,0,0|2,0,0]=4 7138 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@@H]1F)c2ccccc2 240690a_100015190264_100000743005 [0,1,0,1,0,0|2,0,0]=4 7139 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@@H]1F)c2ccccc2 527a_100015190264_100000743005 [0,1,0,1,0,0|2,0,0]=4 7140 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 11a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 7141 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 1626a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 7142 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 240690a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 7143 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 527a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 7144 B17R2.5218 CC(=CC(=O)N1CC(C1)C)c2ccccc2 11a_100000702820_100000743005 [0,1,0,1,0,0|1,0,0]=3 7145 B17R2.5218 CC(=CC(=O)N1CC(C1)C)c2ccccc2 240690a_100000702820_100000743005 [0,1,0,1,0,0|1,0,0]=3 7146 B17R2.5218 CC(=CC(=O)N1CC(C1)C)c2ccccc2 527a_100000702820_100000743005 [0,1,0,1,0,0|1,0,0]=3 7147 B17R2.5218 CC(=CC(=O)N1CC(C1)F)c2ccccc2 11a_100000690557_100000743005 [0,1,0,1,0,0|2,0,0]=4 7148 B17R2.5218 CC(=CC(=O)N1CC(C1)F)c2ccccc2 240690a_100000690557_100000743005 [0,1,0,1,0,0|2,0,0]=4 7149 B17R2.5218 CC(=CC(=O)N1CC(C1)F)c2ccccc2 527a_100000690557_100000743005 [0,1,0,1,0,0|2,0,0]=4 7150 B17R2.5218 CC(=CC(=O)N1CC(C1)O)c2ccccc2 11a_100000749847_100000743005 [0,1,0,1,0,0|2,0,0]=4 7151 B17R2.5218 CC(=CC(=O)N1CC(C1)O)c2ccccc2 240690a_100000749847_100000743005 [0,1,0,1,0,0|2,0,0]=4 7152 B17R2.5218 CC(=CC(=O)N1CC(C1)O)c2ccccc2 527a_100000749847_100000743005 [0,1,0,1,0,0|2,0,0]=4 7153 B17R2.5218 CC1CC(C1)C(=O)CC(=O)c2ccccc2 1458a_100000686124_100000211460 [0,1,0,1,0,0|1,0,1]=4 7154 B17R2.40403 CC(C)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210624 [0,1,0,1,0,0|2,0,0]=4 7155 B17R2.40403 CC(C)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210760 [0,1,0,1,0,0|2,0,0]=4 7156 B17R2.40403 CC(C)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000210624 [0,1,0,1,0,0|2,0,0]=4 7157 B17R2.40403 CC(C)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000210624 [0,1,0,1,0,0|1,0,0]=3 7158 B17R2.40403 CC(C)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000210760 [0,1,0,1,0,0|1,0,0]=3 7159 B17R2.40403 CC(C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000210624 [0,1,0,1,0,0|2,0,0]=4 7160 B17R2.40403 CC(C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000210760 [0,1,0,1,0,0|2,0,0]=4 7161 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210624 [0,1,0,1,0,0|2,0,0]=4 7162 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210760 [0,1,0,1,0,0|2,0,0]=4 7163 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)F 34a_100009888031_100000210624 [0,1,0,1,0,0|2,0,0]=4 7164 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)F 7a_100009888031_100000210760 [0,1,0,1,0,0|2,0,0]=4 7165 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)N 34a_100000083691_100000210624 [0,1,0,1,0,0|2,0,0]=4 7166 B17R2.40403 CC(C)CSc1cc(=O)c2ccccc2[nH]1 62a_100000210624_100000090176 [0,1,0,1,0,0|1,1,0]=4 7167 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)N 62a_100000210624_100010171453 [0,1,0,1,0,0|1,1,0]=4 7168 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000210760 [0,1,0,1,0,0|1,1,0]=4 7169 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)O 62a_100000210624_100010089979 [0,1,0,1,0,0|1,1,0]=4 7170 B17R2.40403 CC(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000210760 [0,1,0,1,0,0|1,1,0]=4 7171 B17R2.40403 CC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011218427 [0,1,0,1,0,0|2,0,0]=4 7172 B17R2.40403 CC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100011218427 [0,1,0,1,0,0|2,0,0]=4 7173 B17R2.40403 C[C@@H](O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100009817552 [0,1,0,1,0,0|2,0,0]=4 7174 B17R2.40403 C[C@@H](O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100009817552 [0,1,0,1,0,0|2,0,0]=4 7175 B17R2.40403 Cc1cc(nc2c1cccc2)NCC(C)C 27a_100000210953_100000184993 [0,1,0,1,0,0|2,0,0]=4 7176 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)C 62a_100000210624_100000184993 [0,1,0,1,0,0|1,1,0]=4 7177 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)C 62a_100012354972_100000210760 [0,1,0,1,0,0|1,1,0]=4 7178 B17R2.45679 CC(=CC(=O)CCC1CC1)c2ccccc2 1458a_100000743005_100000694398 [0,1,0,1,0,0|1,0,0]=3 7179 B17R2.45679 CC(=CC(=O)CCC1CO1)c2ccccc2 1458a_100000743005_100000732470 [0,1,0,1,0,0|2,0,0]=4 7180 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 11a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 7181 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 1626a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 7182 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 240690a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 7183 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 527a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 7184 B17R2.45679 CC(=CC(=O)NNC1CC1)c2ccccc2 22a_100000701032_100000743005 [0,1,0,1,0,0|2,0,0]=4 7185 B17R2.45679 O=C(CCC1CC1)CC(=O)c2ccccc2 1458a_100000756386_100000211460 [0,1,0,1,0,0|1,0,1]=4 7186 B17R2.145690 CC1(C[C@@H]1C(=O)CC(=O)c2ccccc2)C 1458a_100000692687_100000211460 [0,1,0,1,0,0|1,0,1]=4 7187 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000690095 [0,1,0,1,0,0|2,0,0]=4 7188 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100000690095 [0,1,0,1,0,0|2,0,0]=4 7189 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100000690095 [0,1,0,1,0,0|2,0,0]=4 7190 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@H]2F 240690a_100025746932_100000690095 [0,1,0,1,0,0|2,0,0]=4 7191 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016258244 [0,1,0,1,0,0|2,0,0]=4 7192 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@H]2F 11a_100025746932_100016258244 [0,1,0,1,0,0|2,0,0]=4 7193 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@H]2F 1626a_100025746932_100016258244 [0,1,0,1,0,0|2,0,0]=4 7194 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@H]2F 240690a_100025746932_100016258244 [0,1,0,1,0,0|2,0,0]=4 7195 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000184502 [0,1,0,1,0,0|2,0,0]=4 7196 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@H]2F 11a_100025746932_100000184502 [0,1,0,1,0,0|2,0,0]=4 7197 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@H]2F 1626a_100025746932_100000184502 [0,1,0,1,0,0|2,0,0]=4 7198 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@H]2F 240690a_100025746932_100000184502 [0,1,0,1,0,0|2,0,0]=4 7199 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000718793 [0,1,0,1,0,0|2,0,0]=4 7200 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@H]2F 11a_100025746932_100000718793 [0,1,0,1,0,0|2,0,0]=4 7201 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@H]2F 1626a_100025746932_100000718793 [0,1,0,1,0,0|2,0,0]=4 7202 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@H]2F 240690a_100025746932_100000718793 [0,1,0,1,0,0|2,0,0]=4 7203 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@@H]2F 240690a_100015190264_100020647043 [0,1,0,1,0,0|2,0,0]=4 7204 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@H]2F 11a_100025746932_100020647043 [0,1,0,1,0,0|2,0,0]=4 7205 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@H]2F 1626a_100025746932_100020647043 [0,1,0,1,0,0|2,0,0]=4 7206 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@H]2F 240690a_100025746932_100020647043 [0,1,0,1,0,0|2,0,0]=4 7207 B17R2.19759 CC(C)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210624 [0,1,0,1,0,0|2,0,0]=4 7208 B17R2.19759 CC(C)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210760 [0,1,0,1,0,0|2,0,0]=4 7209 B17R2.19759 CC(C)CNc1ccc2cc(ccc2n1)F 27a_100000210953_100011998705 [0,1,0,1,0,0|2,0,0]=4 7210 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210624 [0,1,0,1,0,0|1,0,0]=3 7211 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210760 [0,1,0,1,0,0|1,0,0]=3 7212 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210624 [0,1,0,1,0,0|1,0,0]=3 7213 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210760 [0,1,0,1,0,0|1,0,0]=3 7214 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000210624 [0,1,0,1,0,0|1,0,0]=3 7215 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000210760 [0,1,0,1,0,0|1,0,0]=3 7216 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)O 271570a_203496583355_200000170443 [0,1,0,1,0,0|1,0,0]=3 7217 B17R2.19759 CC(C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210624 [0,1,0,1,0,0|2,0,0]=4 7218 B17R2.19759 CC(C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210760 [0,1,0,1,0,0|2,0,0]=4 7219 B17R2.19759 CC(C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210624 [0,1,0,1,0,0|2,0,0]=4 7220 B17R2.19759 CC(C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210760 [0,1,0,1,0,0|2,0,0]=4 7221 B17R2.19759 CC(C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210624 [0,1,0,1,0,0|2,0,0]=4 7222 B17R2.19759 CC(C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210760 [0,1,0,1,0,0|2,0,0]=4 7223 B17R2.19759 CC(C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000210624 [0,1,0,1,0,0|2,0,0]=4 7224 B17R2.19759 CC(C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000210760 [0,1,0,1,0,0|2,0,0]=4 7225 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)Br 62a_100000210624_100012344972 [0,1,0,1,0,0|1,1,0]=4 7226 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210760 [0,1,0,1,0,0|1,1,0]=4 7227 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)F 62a_100000210624_100009817052 [0,1,0,1,0,0|1,1,0]=4 7228 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210760 [0,1,0,1,0,0|1,1,0]=4 7229 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210760 [0,1,0,1,0,0|1,1,0]=4 7230 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)N 62a_100000210624_100000185457 [0,1,0,1,0,0|1,1,0]=4 7231 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)O 62a_100000210624_100000185455 [0,1,0,1,0,0|1,1,0]=4 7232 B17R2.19759 CC(C)CSc1ccc2cc(ccc2n1)F 62a_100000210624_100011998705 [0,1,0,1,0,0|1,1,0]=4 7233 B17R2.19759 CC(C)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210760 [0,1,0,1,0,0|1,1,0]=4 7234 B17R2.19759 CC(C)CSc1ccc2cc(ccc2n1)O 62a_100000210624_100009849208 [0,1,0,1,0,0|1,1,0]=4 7235 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011218427 [0,1,0,1,0,0|2,0,0]=4 7236 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100011218427 [0,1,0,1,0,0|2,0,0]=4 7237 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011218427 [0,1,0,1,0,0|2,0,0]=4 7238 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011218427 [0,1,0,1,0,0|2,0,0]=4 7239 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011218427 [0,1,0,1,0,0|2,0,0]=4 7240 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100011218427 [0,1,0,1,0,0|2,0,0]=4 7241 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100009817552 [0,1,0,1,0,0|2,0,0]=4 7242 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100009817552 [0,1,0,1,0,0|2,0,0]=4 7243 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009817552 [0,1,0,1,0,0|2,0,0]=4 7244 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009817552 [0,1,0,1,0,0|2,0,0]=4 7245 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100009817552 [0,1,0,1,0,0|2,0,0]=4 7246 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100009817552 [0,1,0,1,0,0|2,0,0]=4 7247 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)C 34a_100000074090_100000210624 [0,1,0,1,0,0|1,0,0]=3 7248 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)C 7a_100000074090_100000210760 [0,1,0,1,0,0|1,0,0]=3 7249 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)O 34a_100000074090_100011218427 [0,1,0,1,0,0|2,0,0]=4 7250 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)O 7a_100000074090_100011218427 [0,1,0,1,0,0|2,0,0]=4 7251 B17R2.19759 Cc1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_100000074090_100009817552 [0,1,0,1,0,0|2,0,0]=4 7252 B17R2.19759 Cc1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_100000074090_100009817552 [0,1,0,1,0,0|2,0,0]=4 7253 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(C)C 34a_100000037634_100000210624 [0,1,0,1,0,0|2,0,0]=4 7254 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(C)C 7a_100000037634_100000210760 [0,1,0,1,0,0|2,0,0]=4 7255 B17R2.19759 Cc1ccc2nc(ccc2c1)NCC(C)C 27a_100000210953_100011865911 [0,1,0,1,0,0|2,0,0]=4 7256 B17R2.19759 Cc1ccc2nc(ccc2c1)SCC(C)C 62a_100000210624_100011865911 [0,1,0,1,0,0|1,1,0]=4 7257 B17R2.19759 Cc1ccc2nc(ccc2c1)SCC(C)C 62a_200000181977_100000210760 [0,1,0,1,0,0|1,1,0]=4 7258 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)Br 11a_100000702820_100016258244 [0,1,0,1,0,0|1,0,0]=3 7259 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)Br 240690a_100000702820_100016258244 [0,1,0,1,0,0|1,0,0]=3 7260 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)Cl 11a_100000702820_100000184502 [0,1,0,1,0,0|1,0,0]=3 7261 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)Cl 240690a_100000702820_100000184502 [0,1,0,1,0,0|1,0,0]=3 7262 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)F 11a_100000702820_100000718793 [0,1,0,1,0,0|1,0,0]=3 7263 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)F 240690a_100000702820_100000718793 [0,1,0,1,0,0|1,0,0]=3 7264 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)I 11a_100000702820_100020647043 [0,1,0,1,0,0|1,0,0]=3 7265 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)I 240690a_100000702820_100020647043 [0,1,0,1,0,0|1,0,0]=3 7266 B17R2.41777 Cc1cccc(c1)C=CC(=O)N2CC(C2)C 11a_100000702820_100000690095 [0,1,0,1,0,0|1,0,0]=3 7267 B17R2.41777 Cc1cccc(c1)C=CC(=O)N2CC(C2)C 240690a_100000702820_100000690095 [0,1,0,1,0,0|1,0,0]=3 7268 B17R2.41777 Cc1cccc(c1)C=CC(=O)N2CC(C2)F 11a_100000690557_100000690095 [0,1,0,1,0,0|2,0,0]=4 7269 B17R2.41777 Cc1cccc(c1)C=CC(=O)N2CC(C2)F 240690a_100000690557_100000690095 [0,1,0,1,0,0|2,0,0]=4 7270 B17R2.41777 Cc1cccc(c1)C=CC(=O)N2CC(C2)O 11a_100000749847_100000690095 [0,1,0,1,0,0|2,0,0]=4 7271 B17R2.41777 Cc1cccc(c1)C=CC(=O)N2CC(C2)O 240690a_100000749847_100000690095 [0,1,0,1,0,0|2,0,0]=4 7272 B17R2.41777 O=C(C=Cc1cccc(c1)Br)N2CC(C2)F 11a_100000690557_100016258244 [0,1,0,1,0,0|2,0,0]=4 7273 B17R2.41777 O=C(C=Cc1cccc(c1)Br)N2CC(C2)F 240690a_100000690557_100016258244 [0,1,0,1,0,0|2,0,0]=4 7274 B17R2.41777 O=C(C=Cc1cccc(c1)Br)N2CC(C2)O 11a_100000749847_100016258244 [0,1,0,1,0,0|2,0,0]=4 7275 B17R2.41777 O=C(C=Cc1cccc(c1)Br)N2CC(C2)O 240690a_100000749847_100016258244 [0,1,0,1,0,0|2,0,0]=4 7276 B17R2.41777 O=C(C=Cc1cccc(c1)Cl)N2CC(C2)F 11a_100000690557_100000184502 [0,1,0,1,0,0|2,0,0]=4 7277 B17R2.41777 O=C(C=Cc1cccc(c1)Cl)N2CC(C2)F 240690a_100000690557_100000184502 [0,1,0,1,0,0|2,0,0]=4 7278 B17R2.41777 O=C(C=Cc1cccc(c1)Cl)N2CC(C2)O 11a_100000749847_100000184502 [0,1,0,1,0,0|2,0,0]=4 7279 B17R2.41777 O=C(C=Cc1cccc(c1)Cl)N2CC(C2)O 240690a_100000749847_100000184502 [0,1,0,1,0,0|2,0,0]=4 7280 B17R2.41777 O=C(C=Cc1cccc(c1)F)N2CC(C2)F 11a_100000690557_100000718793 [0,1,0,1,0,0|2,0,0]=4 7281 B17R2.41777 O=C(C=Cc1cccc(c1)F)N2CC(C2)F 240690a_100000690557_100000718793 [0,1,0,1,0,0|2,0,0]=4 7282 B17R2.41777 O=C(C=Cc1cccc(c1)F)N2CC(C2)O 11a_100000749847_100000718793 [0,1,0,1,0,0|2,0,0]=4 7283 B17R2.41777 O=C(C=Cc1cccc(c1)F)N2CC(C2)O 240690a_100000749847_100000718793 [0,1,0,1,0,0|2,0,0]=4 7284 B17R2.41777 O=C(C=Cc1cccc(c1)I)N2CC(C2)F 11a_100000690557_100020647043 [0,1,0,1,0,0|2,0,0]=4 7285 B17R2.41777 O=C(C=Cc1cccc(c1)I)N2CC(C2)F 240690a_100000690557_100020647043 [0,1,0,1,0,0|2,0,0]=4 7286 B17R2.41777 O=C(C=Cc1cccc(c1)I)N2CC(C2)O 11a_100000749847_100020647043 [0,1,0,1,0,0|2,0,0]=4 7287 B17R2.41777 O=C(C=Cc1cccc(c1)I)N2CC(C2)O 240690a_100000749847_100020647043 [0,1,0,1,0,0|2,0,0]=4 7288 B17R2.252072 CC(C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000210624 [0,1,0,1,0,0|2,0,0]=4 7289 B17R2.252072 CC(C)CNc1ccc2cccc(c2n1)O 27a_100000210953_100010153751 [0,1,0,1,0,0|2,0,0]=4 7290 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000210624 [0,1,0,1,0,0|1,0,0]=3 7291 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000210760 [0,1,0,1,0,0|1,0,0]=3 7292 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)F 34a_100000091619_100000210624 [0,1,0,1,0,0|1,0,0]=3 7293 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)F 7a_100000091619_100000210760 [0,1,0,1,0,0|1,0,0]=3 7294 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)N 34a_100000034012_100000210624 [0,1,0,1,0,0|1,0,0]=3 7295 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)N 7a_100000034012_100000210760 [0,1,0,1,0,0|1,0,0]=3 7296 B17R2.252072 CC(C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210624 [0,1,0,1,0,0|2,0,0]=4 7297 B17R2.252072 CC(C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210760 [0,1,0,1,0,0|2,0,0]=4 7298 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000210624 [0,1,0,1,0,0|2,0,0]=4 7299 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000210760 [0,1,0,1,0,0|2,0,0]=4 7300 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210624 [0,1,0,1,0,0|2,0,0]=4 7301 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210760 [0,1,0,1,0,0|2,0,0]=4 7302 B17R2.252072 CC(C)CSc1ccc2cccc(c2c1)N 62a_100000210624_100010090012 [0,1,0,1,0,0|1,1,0]=4 7303 B17R2.252072 CC(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000210760 [0,1,0,1,0,0|1,1,0]=4 7304 B17R2.252072 CC(C)CSc1ccc2cccc(c2c1)O 62a_100000210624_100010089991 [0,1,0,1,0,0|1,1,0]=4 7305 B17R2.252072 CC(C)CSc1ccc2cccc(c2n1)F 62a_100000210624_100012017632 [0,1,0,1,0,0|1,1,0]=4 7306 B17R2.252072 CC(C)CSc1ccc2cccc(c2n1)O 62a_100000210624_100000013812 [0,1,0,1,0,0|1,1,0]=4 7307 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011218427 [0,1,0,1,0,0|2,0,0]=4 7308 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100011218427 [0,1,0,1,0,0|2,0,0]=4 7309 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100011218427 [0,1,0,1,0,0|2,0,0]=4 7310 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100011218427 [0,1,0,1,0,0|2,0,0]=4 7311 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)N 34a_100000034012_100011218427 [0,1,0,1,0,0|2,0,0]=4 7312 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)N 7a_100000034012_100011218427 [0,1,0,1,0,0|2,0,0]=4 7313 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100009817552 [0,1,0,1,0,0|2,0,0]=4 7314 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100009817552 [0,1,0,1,0,0|2,0,0]=4 7315 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)F 34a_100000091619_100009817552 [0,1,0,1,0,0|2,0,0]=4 7316 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)F 7a_100000091619_100009817552 [0,1,0,1,0,0|2,0,0]=4 7317 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)N 34a_100000034012_100009817552 [0,1,0,1,0,0|2,0,0]=4 7318 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)N 7a_100000034012_100009817552 [0,1,0,1,0,0|2,0,0]=4 7319 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)C 34a_200000091600_100000210624 [0,1,0,1,0,0|1,0,0]=3 7320 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)C 7a_200000091600_100000210760 [0,1,0,1,0,0|1,0,0]=3 7321 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)O 34a_200000091600_100011218427 [0,1,0,1,0,0|2,0,0]=4 7322 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)O 7a_200000091600_100011218427 [0,1,0,1,0,0|2,0,0]=4 7323 B17R2.252072 Cc1cccc2c1cc(cc2)OC[C@@H](C)O 34a_200000091600_100009817552 [0,1,0,1,0,0|2,0,0]=4 7324 B17R2.252072 Cc1cccc2c1cc(cc2)OC[C@@H](C)O 7a_200000091600_100009817552 [0,1,0,1,0,0|2,0,0]=4 7325 B17R2.252072 Cc1cccc2c1cc(cc2)SCC(C)C 62a_100000210624_100010089936 [0,1,0,1,0,0|1,1,0]=4 7326 B17R2.252072 Cc1cccc2c1nc(cc2)NCC(C)C 27a_100000210953_100012002297 [0,1,0,1,0,0|2,0,0]=4 7327 B17R2.252072 Cc1cccc2c1nc(cc2)SCC(C)C 62a_100000210624_100012002297 [0,1,0,1,0,0|1,1,0]=4 7328 B17R2.273179 Cc1cccc(c1)C=CC(=O)CCC2CC2 1458a_100000690095_100000694398 [0,1,0,1,0,0|1,0,0]=3 7329 B17R2.273179 Cc1cccc(c1)C=CC(=O)CCC2CO2 1458a_100000690095_100000732470 [0,1,0,1,0,0|2,0,0]=4 7330 B17R2.273179 Cc1cccc(c1)C=CC(=O)NCC2CC2 11a_100000735609_100000690095 [0,1,0,1,0,0|1,0,0]=3 7331 B17R2.273179 Cc1cccc(c1)C=CC(=O)NCC2CC2 1626a_100000735609_100000690095 [0,1,0,1,0,0|1,0,0]=3 7332 B17R2.273179 Cc1cccc(c1)C=CC(=O)NCC2CC2 240690a_100000735609_100000690095 [0,1,0,1,0,0|1,0,0]=3 7333 B17R2.273179 Cc1cccc(c1)C=CC(=O)NNC2CC2 22a_100000701032_100000690095 [0,1,0,1,0,0|2,0,0]=4 7334 B17R2.273179 O=C(C=Cc1cccc(c1)Br)CCC2CC2 1458a_100016258244_100000694398 [0,1,0,1,0,0|1,0,0]=3 7335 B17R2.273179 O=C(C=Cc1cccc(c1)Br)CCC2CO2 1458a_100016258244_100000732470 [0,1,0,1,0,0|2,0,0]=4 7336 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NCC2CC2 11a_100000735609_100016258244 [0,1,0,1,0,0|1,0,0]=3 7337 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NCC2CC2 1626a_100000735609_100016258244 [0,1,0,1,0,0|1,0,0]=3 7338 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NCC2CC2 240690a_100000735609_100016258244 [0,1,0,1,0,0|1,0,0]=3 7339 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NNC2CC2 22a_100000701032_100016258244 [0,1,0,1,0,0|2,0,0]=4 7340 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)CCC2CC2 1458a_100000184502_100000694398 [0,1,0,1,0,0|1,0,0]=3 7341 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)CCC2CO2 1458a_100000184502_100000732470 [0,1,0,1,0,0|2,0,0]=4 7342 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NCC2CC2 11a_100000735609_100000184502 [0,1,0,1,0,0|1,0,0]=3 7343 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NCC2CC2 1626a_100000735609_100000184502 [0,1,0,1,0,0|1,0,0]=3 7344 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NCC2CC2 240690a_100000735609_100000184502 [0,1,0,1,0,0|1,0,0]=3 7345 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NNC2CC2 22a_100000701032_100000184502 [0,1,0,1,0,0|2,0,0]=4 7346 B17R2.273179 O=C(C=Cc1cccc(c1)F)CCC2CC2 1458a_100000718793_100000694398 [0,1,0,1,0,0|1,0,0]=3 7347 B17R2.273179 O=C(C=Cc1cccc(c1)F)CCC2CO2 1458a_100000718793_100000732470 [0,1,0,1,0,0|2,0,0]=4 7348 B17R2.273179 O=C(C=Cc1cccc(c1)F)NCC2CC2 11a_100000735609_100000718793 [0,1,0,1,0,0|1,0,0]=3 7349 B17R2.273179 O=C(C=Cc1cccc(c1)F)NCC2CC2 1626a_100000735609_100000718793 [0,1,0,1,0,0|1,0,0]=3 7350 B17R2.273179 O=C(C=Cc1cccc(c1)F)NCC2CC2 240690a_100000735609_100000718793 [0,1,0,1,0,0|1,0,0]=3 7351 B17R2.273179 O=C(C=Cc1cccc(c1)F)NNC2CC2 22a_100000701032_100000718793 [0,1,0,1,0,0|2,0,0]=4 7352 B17R2.273179 O=C(C=Cc1cccc(c1)I)CCC2CC2 1458a_100020647043_100000694398 [0,1,0,1,0,0|1,0,0]=3 7353 B17R2.273179 O=C(C=Cc1cccc(c1)I)CCC2CO2 1458a_100020647043_100000732470 [0,1,0,1,0,0|2,0,0]=4 7354 B17R2.273179 O=C(C=Cc1cccc(c1)I)NCC2CC2 11a_100000735609_100020647043 [0,1,0,1,0,0|1,0,0]=3 7355 B17R2.273179 O=C(C=Cc1cccc(c1)I)NCC2CC2 1626a_100000735609_100020647043 [0,1,0,1,0,0|1,0,0]=3 7356 B17R2.273179 O=C(C=Cc1cccc(c1)I)NCC2CC2 240690a_100000735609_100020647043 [0,1,0,1,0,0|1,0,0]=3 7357 B17R2.273179 O=C(C=Cc1cccc(c1)I)NNC2CC2 22a_100000701032_100020647043 [0,1,0,1,0,0|2,0,0]=4 7358 B17R2.273179 O=C(C=Cc1cccc(c1)O)NNC2CC2 22a_100000701032_100102525460 [0,1,0,1,0,0|2,0,0]=4 7359 B17R2.10056 CC(C)(C)CNc1ccc2ccccc2c1 34a_100000211940_100011219605 [0,1,0,1,0,0|2,0,0]=4 7360 B17R2.10056 CC(C)(C)CNc1ccc2ccccc2n1 27a_100000743828_100011291633 [0,1,0,1,0,0|2,0,0]=4 7361 B17R2.10056 CC(C)(C)COc1ccc2ccccc2c1 34a_100000185828_100011219605 [0,1,0,1,0,0|1,0,0]=3 7362 B17R2.10056 CC(C)(C)COc1ccc2cccnc2c1 34a_100011216045_100011219605 [0,1,0,1,0,0|2,0,0]=4 7363 B17R2.10056 CC(C)(C)COc1ccc2cnccc2c1 34a_100000046372_100011219605 [0,1,0,1,0,0|2,0,0]=4 7364 B17R2.10056 CC(C)(C)COc1ccc2ncccc2c1 34a_100011215586_100011219605 [0,1,0,1,0,0|2,0,0]=4 7365 B17R2.10056 CC(C)(C)COc1cnc2ccccc2c1 34a_100011934006_100011219605 [0,1,0,1,0,0|2,0,0]=4 7366 B17R2.10056 CC(C)(C)CSc1ccc2ccccc2c1 62a_100011219605_100000233703 [0,1,0,1,0,0|1,1,0]=4 7367 B17R2.10056 CC(C)(C)CSc1ccc2ccccc2n1 62a_100011219605_100011291633 [0,1,0,1,0,0|1,1,0]=4 7368 B17R2.10056 CC(C)(C)CSc1ccc2ccccc2n1 62a_100011291633_100011219605 [0,1,0,1,0,0|1,1,0]=4 7369 B17R2.10056 CC(C)(F)CNc1ccc2ccccc2c1 34a_100000211940_100011997219 [0,1,0,1,0,0|2,0,0]=4 7370 B17R2.10056 CC(C)(F)CNc1ccc2ccccc2n1 27a_100020643315_100011291633 [0,1,0,1,0,0|2,0,0]=4 7371 B17R2.10056 CC(C)(F)COc1ccc2ccccc2c1 34a_100000185828_100011997219 [0,1,0,1,0,0|1,0,0]=3 7372 B17R2.10056 CC(C)(F)COc1ccc2cccnc2c1 34a_100011216045_100011997219 [0,1,0,1,0,0|2,0,0]=4 7373 B17R2.10056 CC(C)(F)COc1ccc2cnccc2c1 34a_100000046372_100011997219 [0,1,0,1,0,0|2,0,0]=4 7374 B17R2.10056 CC(C)(F)COc1ccc2ncccc2c1 34a_100011215586_100011997219 [0,1,0,1,0,0|2,0,0]=4 7375 B17R2.10056 CC(C)(F)COc1cnc2ccccc2c1 34a_100011934006_100011997219 [0,1,0,1,0,0|2,0,0]=4 7376 B17R2.10056 CC(C)(F)CSc1ccc2ccccc2c1 62a_100011997219_100000233703 [0,1,0,1,0,0|1,1,0]=4 7377 B17R2.10056 CC(C)(F)CSc1ccc2ccccc2n1 62a_100011291633_100011997219 [0,1,0,1,0,0|1,1,0]=4 7378 B17R2.10056 CC(C)(F)CSc1ccc2ccccc2n1 62a_100011997219_100011291633 [0,1,0,1,0,0|1,1,0]=4 7379 B17R2.10056 CC(C)(O)CNc1ccc2ccccc2c1 34a_100000211940_100000764493 [0,1,0,1,0,0|2,0,0]=4 7380 B17R2.10056 CC(C)(O)CNc1ccc2ccccc2c1 7a_100000211940_100000764493 [0,1,0,1,0,0|2,0,0]=4 7381 B17R2.10056 CC(C)(O)CNc1ccc2ccccc2n1 27a_100000751335_100011291633 [0,1,0,1,0,0|2,0,0]=4 7382 B17R2.10056 CC(C)(O)COc1ccc2ccccc2c1 34a_100000185828_100000764493 [0,1,0,1,0,0|1,0,0]=3 7383 B17R2.10056 CC(C)(O)COc1ccc2ccccc2c1 7a_100000185828_100000764493 [0,1,0,1,0,0|1,0,0]=3 7384 B17R2.10056 CC(C)(O)COc1ccc2cccnc2c1 34a_100011216045_100000764493 [0,1,0,1,0,0|2,0,0]=4 7385 B17R2.10056 CC(C)(O)COc1ccc2ccncc2c1 7a_100000752006_100000764493 [0,1,0,1,0,0|2,0,0]=4 7386 B17R2.10056 CC(C)(O)COc1ccc2cnccc2c1 34a_100000046372_100000764493 [0,1,0,1,0,0|2,0,0]=4 7387 B17R2.10056 CC(C)(O)COc1ccc2cnccc2c1 7a_100000046372_100000764493 [0,1,0,1,0,0|2,0,0]=4 7388 B17R2.10056 CC(C)(O)COc1ccc2ncccc2c1 34a_100011215586_100000764493 [0,1,0,1,0,0|2,0,0]=4 7389 B17R2.10056 CC(C)(O)COc1ccc2ncccc2c1 7a_100011215586_100000764493 [0,1,0,1,0,0|2,0,0]=4 7390 B17R2.10056 CC(C)(O)COc1cnc2ccccc2c1 34a_100011934006_100000764493 [0,1,0,1,0,0|2,0,0]=4 7391 B17R2.10056 CC(C)(O)COc1cnc2ccccc2c1 7a_100011934006_100000764493 [0,1,0,1,0,0|2,0,0]=4 7392 B17R2.10056 CC(C)(O)CSc1ccc2ccccc2c1 62a_100000764493_100000233703 [0,1,0,1,0,0|1,1,0]=4 7393 B17R2.10056 CC(C)(O)CSc1ccc2ccccc2n1 62a_100000764493_100011291633 [0,1,0,1,0,0|1,1,0]=4 7394 B17R2.10056 CC(C)(O)CSc1ccc2ccccc2n1 62a_100011291633_100000764493 [0,1,0,1,0,0|1,1,0]=4 7395 B17R2.10056 C[Si](C)(C)COc1ccc2ccccc2c1 7a_100000185828_100000233785 [0,1,0,1,0,0|1,1,0]=4 7396 B17R3.5220 CC1CN(C1)c2ccc3ccccc3n2 27a_100000702820_100011291633 [0,0,0,2,0,0|2,0,0]=4 7397 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 34a_100000046372_100000742324 [0,0,0,2,0,0|2,0,0]=4 7398 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 7a_100000046372_100000742324 [0,0,0,2,0,0|2,0,0]=4 7399 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CC3 7a_100000752006_100000742324 [0,0,0,2,0,0|2,0,0]=4 7400 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 34a_100000211940_100000742324 [0,0,0,2,0,0|2,0,0]=4 7401 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 7a_100000211940_100000742324 [0,0,0,2,0,0|2,0,0]=4 7402 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 34a_100000185828_100000742324 [0,0,0,2,0,0|1,0,0]=3 7403 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 7a_100000185828_100000742324 [0,0,0,2,0,0|1,0,0]=3 7404 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 34a_100000185828_102125554688 [0,0,0,2,0,0|2,0,0]=4 7405 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 7a_100000185828_102125554688 [0,0,0,2,0,0|2,0,0]=4 7406 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CS3 7a_100000185828_100000031435 [0,0,0,2,0,0|2,0,0]=4 7407 B17R3.648661 c1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000185828_100000745022 [0,0,0,2,0,0|2,0,0]=4 7408 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000233703 [0,0,0,2,0,0|1,1,0]=4 7409 B17R3.648661 c1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011291633 [0,0,0,2,0,0|2,0,0]=4 7410 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011291633 [0,0,0,2,0,0|1,1,0]=4 7411 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100011291633_100000742324 [0,0,0,2,0,0|1,1,0]=4 7412 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 34a_100011934006_100000742324 [0,0,0,2,0,0|2,0,0]=4 7413 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 7a_100011934006_100000742324 [0,0,0,2,0,0|2,0,0]=4 7414 B17R3.648661 c1cnc2cc(ccc2c1)OCC3CC3 34a_100011216045_100000742324 [0,0,0,2,0,0|2,0,0]=4 7415 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 34a_100011215586_100000742324 [0,0,0,2,0,0|2,0,0]=4 7416 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 7a_100011215586_100000742324 [0,0,0,2,0,0|2,0,0]=4 7417 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [1,0,0,0,1,0|2,0,0]=4 7418 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [1,0,0,0,1,0|1,0,1]=4 7419 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [1,0,0,0,1,0|2,0,0]=4 7420 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [1,0,0,0,1,0|2,0,0]=4 7421 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [1,0,0,0,1,0|2,0,0]=4 7422 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [1,0,0,0,1,0|2,0,0]=4 7423 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [1,0,0,0,1,0|2,0,0]=4 7424 B13R1.153 CCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210211 [1,0,0,0,1,0|2,0,0]=4 7425 B13R1.153 CCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210211 [1,0,0,0,1,0|2,0,0]=4 7426 B13R1.153 CCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210211 [1,0,0,0,1,0|2,0,0]=4 7427 B13R1.153 CCCNC(=O)C=Cc1cccs1 11a_100020643023_100000182767 [1,0,0,0,1,0|2,0,0]=4 7428 B13R1.153 CCCNC(=O)C=Cc1cccs1 1626a_100020643023_100000182767 [1,0,0,0,1,0|2,0,0]=4 7429 B13R1.153 CCCNC(=O)C=Cc1cccs1 240690a_100020643023_100000182767 [1,0,0,0,1,0|2,0,0]=4 7430 B13R1.153 CCCNC(=O)C=Cc1ccoc1 11a_100020643023_100000238621 [1,0,0,0,1,0|2,0,0]=4 7431 B13R1.153 CCCNC(=O)C=Cc1ccoc1 1626a_100020643023_100000238621 [1,0,0,0,1,0|2,0,0]=4 7432 B13R1.153 CCCNC(=O)C=Cc1ccoc1 240690a_100020643023_100000238621 [1,0,0,0,1,0|2,0,0]=4 7433 B13R1.153 CCCNC(=O)C=Cc1ccsc1 11a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 7434 B13R1.153 CCCNC(=O)C=Cc1ccsc1 1626a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 7435 B13R1.153 CCCNC(=O)C=Cc1ccsc1 240690a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 7436 B13R1.153 CCCNC(=O)C=Cc1ccsc1 527a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 7437 B13R1.337 CC(C)CC=NNc1ccccc1 4a_100015195140_100000185833 [1,0,0,0,1,0|2,0,0]=4 7438 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [1,0,0,0,1,0|0,0,2]=4 7439 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [1,0,0,0,1,0|0,0,2]=4 7440 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [1,0,0,0,1,0|0,0,2]=4 7441 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000210206 [1,0,0,0,1,0|1,0,1]=4 7442 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100138425928_100016265936 [1,0,0,0,1,0|1,0,1]=4 7443 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000210206 [1,0,0,0,1,0|1,0,1]=4 7444 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100138425928_100016265936 [1,0,0,0,1,0|1,0,1]=4 7445 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000210206 [1,0,0,0,1,0|0,0,1]=3 7446 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000212225_100016265936 [1,0,0,0,1,0|0,0,1]=3 7447 B13R1.337 CC(C)OC/C=C/c1cccnc1 34a_200102594124_100000210206 [1,0,0,0,1,0|1,0,1]=4 7448 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100000210206_100016265936 [1,0,0,0,1,0|0,1,1]=4 7449 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000210206 [1,0,0,0,1,0|0,1,1]=4 7450 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,0,0,2,0|1,0,1]=4 7451 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,0,0,0,2,0|1,0,0]=3 7452 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [0,0,0,0,2,0|1,0,0]=3 7453 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [0,0,0,0,2,0|1,0,0]=3 7454 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [0,0,0,0,2,0|1,0,0]=3 7455 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [0,0,0,0,2,0|1,0,0]=3 7456 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,0,0,0,2,0|1,0,1]=4 7457 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,0,0,0,2,0|1,0,1]=4 7458 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,0,0,0,2,0|1,0,1]=4 7459 B13R1.45 CC(C)NNC(=O)c1ccccc1 22a_100000741168_100000185807 [0,0,0,0,2,0|2,0,0]=4 7460 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [0,0,0,0,2,0|2,0,0]=4 7461 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [0,0,0,0,2,0|2,0,0]=4 7462 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,0,0,0,2,0|2,0,0]=4 7463 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,0,0,0,2,0|2,0,0]=4 7464 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,0,0,0,2,0|2,0,0]=4 7465 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,0,0,0,2,0|2,0,0]=4 7466 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [0,0,0,0,2,0|2,0,0]=4 7467 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [0,0,0,0,2,0|2,0,0]=4 7468 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [0,0,0,0,2,0|1,0,0]=3 7469 B13R1.348 CC(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000210624 [0,0,0,0,2,0|1,0,1]=4 7470 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,0,0,0,2,0|0,0,1]=3 7471 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000210554_100000721315 [0,0,0,0,2,0|1,0,1]=4 7472 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000210624 [0,0,0,0,2,0|1,0,1]=4 7473 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000210554_100000733263 [0,0,0,0,2,0|1,0,1]=4 7474 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000210624 [0,0,0,0,2,0|1,0,1]=4 7475 B13R1.348 CC(C)CC(=O)Cc1ccncc1 1458a_100000210554_100000705612 [0,0,0,0,2,0|1,0,1]=4 7476 B13R1.348 CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000210554 [0,0,0,0,2,0|1,0,0]=3 7477 B13R1.348 CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000210554 [0,0,0,0,2,0|1,0,0]=3 7478 B13R1.348 CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000210554 [0,0,0,0,2,0|1,0,0]=3 7479 B13R1.348 CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000210554 [0,0,0,0,2,0|1,0,0]=3 7480 B13R1.348 CC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100138425928 [0,0,0,0,2,0|2,0,0]=4 7481 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [0,0,0,0,2,0|1,0,1]=4 7482 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [0,0,0,0,2,0|1,0,1]=4 7483 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [0,0,0,0,2,0|1,0,1]=4 7484 B13R1.348 CN(C)CC(=O)Nc1ccccc1 11a_100000106764_100000750896 [0,0,0,0,2,0|2,0,0]=4 7485 B13R1.348 CN(C)CC(=O)Nc1ccccc1 2230a_100102631434_100000182850 [0,0,0,0,2,0|2,0,0]=4 7486 B13R1.348 CN(C)CC(=O)Nc1ccccc1 22a_100000106764_100000750896 [0,0,0,0,2,0|2,0,0]=4 7487 B13R1.348 CN(C)CC(=O)Nc1ccccc1 269982a_100102631434_100000182850 [0,0,0,0,2,0|2,0,0]=4 7488 B13R1.348 CN(C)CC(=O)Nc1ccccc1 527a_100000106764_100000750896 [0,0,0,0,2,0|2,0,0]=4 7489 B13R1.348 CN(C)CC(=O)Oc1ccccc1 2230a_100102631434_100009813826 [0,0,0,0,2,0|2,0,0]=4 7490 B13R1.348 CN(C)CC(=O)Oc1ccccc1 269982a_100102631434_100009813826 [0,0,0,0,2,0|2,0,0]=4 7491 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,0,0,0,2,0|1,0,1]=4 7492 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,0,0,0,2,0|2,0,0]=4 7493 B13R1.348 C[S+](C)CC(=O)Cc1ccccc1 1458a_200159257847_100015291786 [0,0,0,0,2,0|1,0,1]=4 7494 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 11a_100000106764_200159257847 [0,0,0,0,2,0|2,0,0]=4 7495 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 1626a_100000106764_200159257847 [0,0,0,0,2,0|2,0,0]=4 7496 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 22a_100000106764_200159257847 [0,0,0,0,2,0|2,0,0]=4 7497 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 527a_100000106764_200159257847 [0,0,0,0,2,0|2,0,0]=4 7498 B13R1.351 CC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000210206 [0,0,0,0,2,0|0,0,2]=4 7499 B13R1.351 CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210206 [0,0,0,0,2,0|0,0,0]=2 7500 B13R1.351 CC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000210206 [0,0,0,0,2,0|1,0,0]=3 7501 B13R1.351 CC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000210206 [0,0,0,0,2,0|1,0,0]=3 7502 B13R1.351 CC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000210206 [0,0,0,0,2,0|1,0,0]=3 7503 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [0,0,0,0,2,0|0,0,2]=4 7504 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [0,0,0,0,2,0|0,0,2]=4 7505 B13R1.351 CC(C)C(=O)CNc1ccccc1 34a_100000106764_100000753385 [0,0,0,0,2,0|1,0,1]=4 7506 B13R1.351 CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000210206 [0,0,0,0,2,0|1,0,1]=4 7507 B13R1.351 CC(C)C(=O)COc1ccccc1 34a_100000210340_100000753385 [0,0,0,0,2,0|1,0,1]=4 7508 B13R1.351 CC(C)C(=O)COc1ccccc1 7a_100000210340_100000753385 [0,0,0,0,2,0|1,0,1]=4 7509 B13R1.351 CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000210206 [0,0,0,0,2,0|1,0,1]=4 7510 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000719477_100000753385 [0,0,0,0,2,0|1,0,1]=4 7511 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000753385_100000041952 [0,0,0,0,2,0|1,0,1]=4 7512 B13R1.351 CC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210198 [0,0,0,0,2,0|1,0,1]=4 7513 B13R1.351 CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210198 [0,0,0,0,2,0|1,0,1]=4 7514 B13R1.351 CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210198 [0,0,0,0,2,0|1,0,1]=4 7515 B13R1.351 CC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210198 [0,0,0,0,2,0|1,0,1]=4 7516 B13R1.351 CC(C)C(=O)NNc1ccccc1 22a_100015195140_100000210198 [0,0,0,0,2,0|2,0,0]=4 7517 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 11a_100102631434_100000210462 [0,0,0,0,2,0|1,0,0]=3 7518 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 1626a_100102631434_100000210462 [0,0,0,0,2,0|1,0,0]=3 7519 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 11a_100102631434_100000740811 [0,0,0,0,2,0|2,0,0]=4 7520 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 240690a_100102631434_100000740811 [0,0,0,0,2,0|2,0,0]=4 7521 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 11a_100102631434_100000735890 [0,0,0,0,2,0|2,0,0]=4 7522 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 240690a_100102631434_100000735890 [0,0,0,0,2,0|2,0,0]=4 7523 B13R1.351 CN(C)C(=O)C=Cc1ccncc1 240690a_100102631434_100000682801 [0,0,0,0,2,0|2,0,0]=4 7524 B13R1.593 CC(C)CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210624 [0,0,0,0,2,0|2,0,0]=4 7525 B13R1.593 CC(C)CC(=O)C=Cc1cccs1 1458a_100000182767_100000210624 [0,0,0,0,2,0|1,0,0]=3 7526 B13R1.593 CC(C)CC(=O)C=Cc1ccoc1 1458a_100000238621_100000210624 [0,0,0,0,2,0|1,0,0]=3 7527 B13R1.593 CC(C)CC(=O)C=Cc1ccsc1 1458a_100000698588_100000210624 [0,0,0,0,2,0|1,0,0]=3 7528 B13R1.593 CC(C)CC(=O)C=Cc1cscn1 1458a_200000747928_100000210624 [0,0,0,0,2,0|2,0,0]=4 7529 B13R1.593 CC(C)CC(=O)C=Cc1nccs1 1458a_100102558208_100000210624 [0,0,0,0,2,0|2,0,0]=4 7530 B13R1.593 CC(C)NC(=O)C=Cc1cccs1 11a_100138425928_100000182767 [0,0,0,0,2,0|2,0,0]=4 7531 B13R1.593 CC(C)NC(=O)C=Cc1cccs1 1626a_100138425928_100000182767 [0,0,0,0,2,0|2,0,0]=4 7532 B13R1.593 CC(C)NC(=O)C=Cc1cccs1 240690a_100138425928_100000182767 [0,0,0,0,2,0|2,0,0]=4 7533 B13R1.593 CC(C)NC(=O)C=Cc1ccoc1 11a_100138425928_100000238621 [0,0,0,0,2,0|2,0,0]=4 7534 B13R1.593 CC(C)NC(=O)C=Cc1ccoc1 1626a_100138425928_100000238621 [0,0,0,0,2,0|2,0,0]=4 7535 B13R1.593 CC(C)NC(=O)C=Cc1ccoc1 240690a_100138425928_100000238621 [0,0,0,0,2,0|2,0,0]=4 7536 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 11a_100138425928_100000698588 [0,0,0,0,2,0|2,0,0]=4 7537 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 1626a_100138425928_100000698588 [0,0,0,0,2,0|2,0,0]=4 7538 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 240690a_100138425928_100000698588 [0,0,0,0,2,0|2,0,0]=4 7539 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 527a_100138425928_100000698588 [0,0,0,0,2,0|2,0,0]=4 7540 B13R1.593 CC(O)CC(=O)C=Cc1cccs1 1458a_100000182767_100011218427 [0,0,0,0,2,0|2,0,0]=4 7541 B13R1.593 CC(O)CC(=O)C=Cc1ccoc1 1458a_100000238621_100011218427 [0,0,0,0,2,0|2,0,0]=4 7542 B13R1.593 CC(O)CC(=O)C=Cc1ccsc1 1458a_100000698588_100011218427 [0,0,0,0,2,0|2,0,0]=4 7543 B15R1.157 CCC#CC(=O)C/C=C/c1ccccc1 1458a_100011827653_100016265936 [1,0,0,0,0,1|1,0,1]=4 7544 B15R1.157 CCC=CC(=O)C/C=C/c1ccccc1 1458a_100000212282_100016265936 [1,0,0,0,0,1|1,0,1]=4 7545 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100000210183_100016265936 [1,0,0,0,0,1|1,0,0]=3 7546 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210211 [1,0,0,0,0,1|1,0,0]=3 7547 B15R1.157 CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210211 [1,0,0,0,0,1|1,0,0]=3 7548 B15R1.157 CCCCC(=O)NN=Cc1ccccc1 4a_100000189769_100015611070 [1,0,0,0,0,1|2,0,0]=4 7549 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 11a_100020643023_100011219626 [1,0,0,0,0,1|1,0,0]=3 7550 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 1626a_100020643023_100011219626 [1,0,0,0,0,1|1,0,0]=3 7551 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 240690a_100020643023_100011219626 [1,0,0,0,0,1|1,0,0]=3 7552 B15R1.157 CCCNC(=O)C=CSc1ccccc1 11a_100020643023_100016262050 [1,0,0,0,0,1|1,0,0]=3 7553 B15R1.157 CCCNC(=O)C=CSc1ccccc1 1626a_100020643023_100016262050 [1,0,0,0,0,1|1,0,0]=3 7554 B15R1.157 CCCNC(=O)C=CSc1ccccc1 240690a_100020643023_100016262050 [1,0,0,0,0,1|1,0,0]=3 7555 B15R1.157 CCCOC(=O)CNCc1ccccc1 2230a_100015324214_200011215008 [1,0,0,0,0,1|0,0,2]=4 7556 B15R1.157 CCCOC(=O)CNCc1ccccc1 34a_100015324214_200011215008 [1,0,0,0,0,1|0,0,2]=4 7557 B15R1.157 CCCOC(=O)COCc1ccccc1 34a_100000210790_200011215008 [1,0,0,0,0,1|0,0,2]=4 7558 B15R1.157 CCCOC(=O)COCc1ccccc1 7a_100000210790_200011215008 [1,0,0,0,0,1|0,0,2]=4 7559 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_100000211182_200011215008 [1,0,0,0,0,1|0,0,2]=4 7560 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_200011215008_100015291786 [1,0,0,0,0,1|0,0,2]=4 7561 B15R1.157 CCCOC(=O)OCNc1ccccc1 34a_100000106764_200000139673 [1,0,0,0,0,1|1,0,1]=4 7562 B15R1.157 CCCOC(=O)OCOc1ccccc1 34a_100000210340_200000139673 [1,0,0,0,0,1|1,0,1]=4 7563 B15R1.157 CCCOC(=O)OCOc1ccccc1 7a_100000210340_200000139673 [1,0,0,0,0,1|1,0,1]=4 7564 B15R1.157 CCCOC(=O)OCSc1ccccc1 62a_100000719477_200000139673 [1,0,0,0,0,1|1,0,1]=4 7565 B15R1.157 CCNNC(=O)C/C=C/c1ccccc1 22a_100000756455_100011219626 [1,0,0,0,0,1|2,0,0]=4 7566 B15R1.157 CCNNC(=O)C=CSc1ccccc1 22a_100000756455_100016262050 [1,0,0,0,0,1|2,0,0]=4 7567 B15R1.157 CCOCC(=O)C/C=C/c1ccccc1 1458a_100000211967_100016265936 [1,0,0,0,0,1|2,0,0]=4 7568 B15R1.157 CCSCC(=O)C/C=C/c1ccccc1 1458a_100000230394_100016265936 [1,0,0,0,0,1|2,0,0]=4 7569 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100000749529_100016265936 [1,0,0,0,0,1|2,0,0]=4 7570 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000233755 [1,0,0,0,0,1|2,0,0]=4 7571 B15R1.157 COCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000233755 [1,0,0,0,0,1|2,0,0]=4 7572 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100000174002_100016265936 [1,0,0,0,0,1|2,0,0]=4 7573 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000751147 [1,0,0,0,0,1|2,0,0]=4 7574 B15R1.157 CSCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000751147 [1,0,0,0,0,1|2,0,0]=4 7575 B15R1.157 O=C(C/C=C/c1ccccc1)CCCF 1458a_100011219626_100011934791 [1,0,0,0,0,1|2,0,0]=4 7576 B15R1.157 O=C(C/C=C/c1ccccc1)CCCO 1458a_100011219626_100011215043 [1,0,0,0,0,1|2,0,0]=4 7577 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 11a_100000724931_100011219626 [1,0,0,0,0,1|2,0,0]=4 7578 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 1626a_100000724931_100011219626 [1,0,0,0,0,1|2,0,0]=4 7579 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 240690a_100000724931_100011219626 [1,0,0,0,0,1|2,0,0]=4 7580 B15R1.157 O=C(C/C=C/c1ccccc1)NCCO 240690a_100000210304_100011219626 [1,0,0,0,0,1|2,0,0]=4 7581 B15R1.157 O=C(C=CSc1ccccc1)CCCF 1458a_100016262050_100011934791 [1,0,0,0,0,1|2,0,0]=4 7582 B15R1.157 O=C(C=CSc1ccccc1)CCCO 1458a_100016262050_100011215043 [1,0,0,0,0,1|2,0,0]=4 7583 B15R1.157 O=C(C=CSc1ccccc1)NCCF 11a_100000724931_100016262050 [1,0,0,0,0,1|2,0,0]=4 7584 B15R1.157 O=C(C=CSc1ccccc1)NCCF 1626a_100000724931_100016262050 [1,0,0,0,0,1|2,0,0]=4 7585 B15R1.157 O=C(C=CSc1ccccc1)NCCF 240690a_100000724931_100016262050 [1,0,0,0,0,1|2,0,0]=4 7586 B15R1.157 O=C(C=CSc1ccccc1)NCCO 240690a_100000210304_100016262050 [1,0,0,0,0,1|2,0,0]=4 7587 B15R1.504 CC(=CCOC/C=C/c1ccccc1)C 34a_100000210256_100000761012 [1,0,0,0,0,1|0,0,2]=4 7588 B15R1.504 CC(=CCOC/C=C/c1ccccc1)C 34a_100000753907_100016265936 [1,0,0,0,0,1|0,0,2]=4 7589 B15R1.504 CC(Br)CCOC/C=C/c1ccccc1 34a_100009893172_100016265936 [1,0,0,0,0,1|1,0,1]=4 7590 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 2230a_100020603302_100000210312 [1,0,0,0,0,1|1,0,1]=4 7591 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 34a_100020603302_100000210312 [1,0,0,0,0,1|1,0,1]=4 7592 B15R1.504 CC(C)CCNCC=Cc1ccccc1 270004a_100000210545_100000210105 [1,0,0,0,0,1|1,0,1]=4 7593 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210254_100016265936 [1,0,0,0,0,1|0,0,1]=3 7594 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000210312 [1,0,0,0,0,1|0,0,1]=3 7595 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 7a_100000210254_100016265936 [1,0,0,0,0,1|0,0,1]=3 7596 B15R1.504 CC(C)CCOC/C=C/c1cccnc1 34a_200102594124_100000210312 [1,0,0,0,0,1|1,0,1]=4 7597 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100000210312_100016265936 [1,0,0,0,0,1|0,1,1]=4 7598 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100016265936_100000210312 [1,0,0,0,0,1|0,1,1]=4 7599 B15R1.504 CC(C)OCNC/C=C/c1ccccc1 2230a_100020603302_100000709892 [1,0,0,0,0,1|1,0,1]=4 7600 B15R1.504 CC(C)OCNC/C=C/c1ccccc1 34a_100020603302_100000709892 [1,0,0,0,0,1|1,0,1]=4 7601 B15R1.504 CC(C)OCOC/C=C/c1ccccc1 34a_100000210256_100000709892 [1,0,0,0,0,1|0,0,1]=3 7602 B15R1.504 CC(C)OCOC/C=C/c1cccnc1 34a_200102594124_100000709892 [1,0,0,0,0,1|1,0,1]=4 7603 B15R1.504 CC(C)OCSC/C=C/c1ccccc1 62a_100000709892_100016265936 [1,0,0,0,0,1|0,1,1]=4 7604 B15R1.504 CC(C)OCSC/C=C/c1ccccc1 62a_100016265936_100000709892 [1,0,0,0,0,1|0,1,1]=4 7605 B15R1.504 CC(O)CCOC/C=C/c1ccccc1 34a_100000210256_100012276601 [1,0,0,0,0,1|1,0,1]=4 7606 B15R1.504 CC(O)CNN=CC=Cc1ccccc1 4a_200000730056_100000210105 [1,0,0,0,0,1|2,0,0]=4 7607 B15R1.504 C[C@@H](N)CCOC/C=C/c1ccccc1 34a_100000706166_100016265936 [1,0,0,0,0,1|1,0,1]=4 7608 B15R1.503 CC(C)CCCC(=O)C=Cc1cccs1 1458a_100000182767_100011214892 [0,0,0,0,1,1|2,0,0]=4 7609 B15R1.503 CC(C)CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100011214892 [0,0,0,0,1,1|2,0,0]=4 7610 B15R1.503 CC(C)CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100011214892 [0,0,0,0,1,1|2,0,0]=4 7611 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 11a_100000210545_100000182767 [0,0,0,0,1,1|2,0,0]=4 7612 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 1626a_100000210545_100000182767 [0,0,0,0,1,1|2,0,0]=4 7613 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 240690a_100000210545_100000182767 [0,0,0,0,1,1|2,0,0]=4 7614 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 11a_100000210545_100000238621 [0,0,0,0,1,1|2,0,0]=4 7615 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 1626a_100000210545_100000238621 [0,0,0,0,1,1|2,0,0]=4 7616 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 240690a_100000210545_100000238621 [0,0,0,0,1,1|2,0,0]=4 7617 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 11a_100000210545_100000698588 [0,0,0,0,1,1|2,0,0]=4 7618 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 1626a_100000210545_100000698588 [0,0,0,0,1,1|2,0,0]=4 7619 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 240690a_100000210545_100000698588 [0,0,0,0,1,1|2,0,0]=4 7620 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 527a_100000210545_100000698588 [0,0,0,0,1,1|2,0,0]=4 7621 B15R1.503 CC(C)CNNC(=O)C=Cc1ccco1 22a_100000696102_100000720202 [0,0,0,0,1,1|2,0,0]=4 7622 B15R1.503 CC(C)CNNC(=O)C=Cc1cccs1 22a_100000696102_100000182767 [0,0,0,0,1,1|2,0,0]=4 7623 B15R1.503 CC(C)CNNC(=O)C=Cc1ccoc1 22a_100000696102_100000238621 [0,0,0,0,1,1|2,0,0]=4 7624 B15R1.503 CC(C)CNNC(=O)C=Cc1ccsc1 22a_100000696102_100000698588 [0,0,0,0,1,1|2,0,0]=4 7625 B15R1.503 CC(C)OCCC(=O)C=Cc1cccs1 1458a_100000182767_100000211751 [0,0,0,0,1,1|2,0,0]=4 7626 B15R1.503 CC(C)OCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000211751 [0,0,0,0,1,1|2,0,0]=4 7627 B15R1.503 CC(C)OCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000211751 [0,0,0,0,1,1|2,0,0]=4 7628 B15R1.503 CC(C)SCCC(=O)C=Cc1cccs1 1458a_100000182767_100000730970 [0,0,0,0,1,1|2,0,0]=4 7629 B15R1.503 CC(C)SCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000730970 [0,0,0,0,1,1|2,0,0]=4 7630 B15R1.503 CC(C)SCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000730970 [0,0,0,0,1,1|2,0,0]=4 7631 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011216152 [0,0,0,0,0,2|1,0,0]=3 7632 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011216152 [0,0,0,0,0,2|2,0,0]=4 7633 B17R1.1324 CC(C)CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011216152 [0,0,0,0,0,2|2,0,0]=4 7634 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011216152 [0,0,0,0,0,2|2,0,0]=4 7635 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccc1 11a_200000737386_100000210462 [0,0,0,0,0,2|1,0,0]=3 7636 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccc1 1626a_200000737386_100000210462 [0,0,0,0,0,2|1,0,0]=3 7637 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccn1 11a_200000737386_100000740811 [0,0,0,0,0,2|2,0,0]=4 7638 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccn1 240690a_200000737386_100000740811 [0,0,0,0,0,2|2,0,0]=4 7639 B17R1.1324 CC(C)CCCNC(=O)C=Cc1cccnc1 11a_200000737386_100000735890 [0,0,0,0,0,2|2,0,0]=4 7640 B17R1.1324 CC(C)CCCNC(=O)C=Cc1cccnc1 240690a_200000737386_100000735890 [0,0,0,0,0,2|2,0,0]=4 7641 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccncc1 240690a_200000737386_100000682801 [0,0,0,0,0,2|2,0,0]=4 7642 B17R1.1324 CC(C)CCOCC(=O)CCc1ccccc1 34a_100000210254_100012361361 [0,0,0,0,0,2|0,0,2]=4 7643 B17R1.1324 CC(C)CCOCC(=O)CCc1ccccc1 7a_100000210254_100012361361 [0,0,0,0,0,2|0,0,2]=4 7644 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccc1 34a_100000210254_100000183539 [0,0,0,0,0,2|1,0,1]=4 7645 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccc1 7a_100000210254_100000183539 [0,0,0,0,0,2|1,0,1]=4 7646 B17R1.1324 CC(C)CCOCC(=O)OCc1ccccc1 34a_100000210254_100000753625 [0,0,0,0,0,2|1,0,1]=4 7647 B17R1.1324 CC(C)CCOCC(=O)OCc1ccccc1 7a_100000210254_100000753625 [0,0,0,0,0,2|1,0,1]=4 7648 B17R1.1324 CC(C)COCCC(=O)C=Cc1cncnc1 6a_100000749868_200011216429 [0,0,0,0,0,2|2,0,0]=4 7649 B17R1.1324 CC(C)COCCC(=O)OCc1ccccc1 7a_100009831632_100000210760 [0,0,0,0,0,2|1,0,1]=4 7650 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccc1 11a_100000701111_100000210462 [0,0,0,0,0,2|1,0,0]=3 7651 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccc1 1626a_100000701111_100000210462 [0,0,0,0,0,2|1,0,0]=3 7652 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccn1 11a_100000701111_100000740811 [0,0,0,0,0,2|2,0,0]=4 7653 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccn1 240690a_100000701111_100000740811 [0,0,0,0,0,2|2,0,0]=4 7654 B17R1.1324 CC(C)OCCNC(=O)C=Cc1cccnc1 11a_100000701111_100000735890 [0,0,0,0,0,2|2,0,0]=4 7655 B17R1.1324 CC(C)OCCNC(=O)C=Cc1cccnc1 240690a_100000701111_100000735890 [0,0,0,0,0,2|2,0,0]=4 7656 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccncc1 240690a_100000701111_100000682801 [0,0,0,0,0,2|2,0,0]=4 7657 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccc1 11a_100000731138_100000210462 [0,0,0,0,0,2|1,0,0]=3 7658 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccc1 1626a_100000731138_100000210462 [0,0,0,0,0,2|1,0,0]=3 7659 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccn1 11a_100000731138_100000740811 [0,0,0,0,0,2|2,0,0]=4 7660 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccn1 240690a_100000731138_100000740811 [0,0,0,0,0,2|2,0,0]=4 7661 B17R1.1324 CC(C)SCCNC(=O)C=Cc1cccnc1 11a_100000731138_100000735890 [0,0,0,0,0,2|2,0,0]=4 7662 B17R1.1324 CC(C)SCCNC(=O)C=Cc1cccnc1 240690a_100000731138_100000735890 [0,0,0,0,0,2|2,0,0]=4 7663 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccncc1 240690a_100000731138_100000682801 [0,0,0,0,0,2|2,0,0]=4 7664 B17R1.1324 CN(C)CCNNC(=O)C=Cc1ccccc1 22a_100000738145_100000210462 [0,0,0,0,0,2|2,0,0]=4 7665 B17R1.1324 O=C(C=Cc1ccccc1)CCOCC(F)F 1458a_100000210462_200012177212 [0,0,0,0,0,2|2,0,0]=4 7666 B17R1.16611 CC(=CCCC(=O)C/C=C/c1ccccc1)C 1458a_100011219626_100011217483 [0,0,0,0,0,2|1,0,1]=4 7667 B17R1.16611 CC(=CCCC(=O)C=CSc1ccccc1)C 1458a_100016262050_100011217483 [0,0,0,0,0,2|1,0,1]=4 7668 B17R1.16611 CC(=CCNC(=O)C/C=C/c1ccccc1)C 11a_100000718196_100011219626 [0,0,0,0,0,2|1,0,1]=4 7669 B17R1.16611 CC(=CCNC(=O)C/C=C/c1ccccc1)C 1626a_100000718196_100011219626 [0,0,0,0,0,2|1,0,1]=4 7670 B17R1.16611 CC(=CCNC(=O)C=CSc1ccccc1)C 11a_100000718196_100016262050 [0,0,0,0,0,2|1,0,1]=4 7671 B17R1.16611 CC(=CCNC(=O)C=CSc1ccccc1)C 1626a_100000718196_100016262050 [0,0,0,0,0,2|1,0,1]=4 7672 B17R1.16611 CC(C)/C=C/CC(=O)C/C=C/c1ccccc1 1458a_100016292215_100016265936 [0,0,0,0,0,2|1,0,1]=4 7673 B17R1.16611 CC(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011216857_100016265936 [0,0,0,0,0,2|1,0,0]=3 7674 B17R1.16611 CC(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011214892 [0,0,0,0,0,2|1,0,0]=3 7675 B17R1.16611 CC(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011214892 [0,0,0,0,0,2|1,0,0]=3 7676 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 11a_100000210545_100011219626 [0,0,0,0,0,2|1,0,0]=3 7677 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 1626a_100000210545_100011219626 [0,0,0,0,0,2|1,0,0]=3 7678 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000210545_100011219626 [0,0,0,0,0,2|1,0,0]=3 7679 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 11a_100000210545_100016262050 [0,0,0,0,0,2|1,0,0]=3 7680 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 1626a_100000210545_100016262050 [0,0,0,0,0,2|1,0,0]=3 7681 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 240690a_100000210545_100016262050 [0,0,0,0,0,2|1,0,0]=3 7682 B17R1.16611 CC(C)CNNC(=O)C/C=C/c1ccccc1 22a_100000696102_100011219626 [0,0,0,0,0,2|1,0,0]=3 7683 B17R1.16611 CC(C)CNNC(=O)C=CSc1ccccc1 22a_100000696102_100016262050 [0,0,0,0,0,2|1,0,0]=3 7684 B17R1.16611 CC(C)COCC(=O)C/C=C/c1ccccc1 1458a_100011223364_100016265936 [0,0,0,0,0,2|0,0,0]=2 7685 B17R1.16611 CC(C)COCC(=O)CC#Cc1ccccc1 1458a_100011223364_100011352542 [0,0,0,0,0,2|0,0,2]=4 7686 B17R1.16611 CC(C)COCC(=O)CCCc1ccccc1 1458a_100011223364_100000211621 [0,0,0,0,0,2|0,0,2]=4 7687 B17R1.16611 CC(C)COCC(=O)CCOc1ccccc1 1458a_100011223364_100000184471 [0,0,0,0,0,2|0,0,2]=4 7688 B17R1.16611 CC(C)COCC(=O)CCSc1ccccc1 1458a_100011223364_100000246102 [0,0,0,0,0,2|0,0,2]=4 7689 B17R1.16611 CC(C)COCC(=O)CSCc1ccccc1 1458a_100011223364_200011217039 [0,0,0,0,0,2|0,0,2]=4 7690 B17R1.16611 CC(C)COCC(=O)NCCc1ccccc1 11a_100000106460_100011223364 [0,0,0,0,0,2|0,0,2]=4 7691 B17R1.16611 CC(C)COCC(=O)NCCc1ccccc1 1626a_100000106460_100011223364 [0,0,0,0,0,2|0,0,2]=4 7692 B17R1.16611 CC(C)COCC(=O)NCCc1ccccc1 240690a_100000106460_100011223364 [0,0,0,0,0,2|0,0,2]=4 7693 B17R1.16611 CC(C)COCC(=O)NCCc1ccccc1 34a_100000210257_100000183012 [0,0,0,0,0,2|0,0,2]=4 7694 B17R1.16611 CC(C)COCC(=O)NCCc1ccccc1 527a_100000106460_100011223364 [0,0,0,0,0,2|0,0,2]=4 7695 B17R1.16611 CC(C)COCC(=O)NNCc1ccccc1 22a_100000007032_100011223364 [0,0,0,0,0,2|1,0,1]=4 7696 B17R1.16611 CC(C)COCC(=O)NOCc1ccccc1 34a_100000210257_100000230105 [0,0,0,0,0,2|1,0,1]=4 7697 B17R1.16611 CC(C)COCC(=O)OCCc1ccccc1 34a_100000210257_200000077782 [0,0,0,0,0,2|0,0,2]=4 7698 B17R1.16611 CC(C)OCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000211751 [0,0,0,0,0,2|1,0,0]=3 7699 B17R1.16611 CC(C)OCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000211751 [0,0,0,0,0,2|1,0,0]=3 7700 B17R1.16611 CC(C)SCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000730970 [0,0,0,0,0,2|1,0,0]=3 7701 B17R1.16611 CC(C)SCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000730970 [0,0,0,0,0,2|1,0,0]=3 7702 B17R1.16611 CC(O)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000718107 [0,0,0,0,0,2|2,0,0]=4 7703 B17R1.16611 CC(O)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_200000718107 [0,0,0,0,0,2|2,0,0]=4 7704 B17R1.16611 CC(O)CCNC(=O)C/C=C/c1ccccc1 240690a_200000755665_100011219626 [0,0,0,0,0,2|2,0,0]=4 7705 B17R1.16611 CC(O)CCNC(=O)C=CSc1ccccc1 240690a_200000755665_100016262050 [0,0,0,0,0,2|2,0,0]=4 7706 B17R1.16611 CC(O)CNNC(=O)C/C=C/c1ccccc1 22a_200000730056_100011219626 [0,0,0,0,0,2|2,0,0]=4 7707 B17R1.16611 CC(O)CNNC(=O)C=CSc1ccccc1 22a_200000730056_100016262050 [0,0,0,0,0,2|2,0,0]=4 7708 B17R1.16611 CN(C)CC=CC(=O)C/C=C/c1ccccc1 1458a_100000754359_100016265936 [0,0,0,0,0,2|2,0,0]=4 7709 B17R1.16611 CN(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000695564 [0,0,0,0,0,2|2,0,0]=4 7710 B17R1.16611 CN(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000695564 [0,0,0,0,0,2|2,0,0]=4 7711 B17R1.16611 CN(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000210585_100011219626 [0,0,0,0,0,2|2,0,0]=4 7712 B17R1.16611 CN(C)CCNC(=O)C=CSc1ccccc1 240690a_100000210585_100016262050 [0,0,0,0,0,2|2,0,0]=4 7713 B17R1.4992 CC(C)C=CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100016268746 [0,0,0,0,0,2|1,0,1]=4 7714 B17R1.4992 CC(C)C=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100016268746 [0,0,0,0,0,2|1,0,1]=4 7715 B17R1.4992 CC(C)C=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100016268746 [0,0,0,0,0,2|1,0,1]=4 7716 B17R1.4992 CC(C)CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210312 [0,0,0,0,0,2|1,0,0]=3 7717 B17R1.4992 CC(C)CCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000210312 [0,0,0,0,0,2|1,0,0]=3 7718 B17R1.4992 CC(C)CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000181311 [0,0,0,0,0,2|1,0,0]=3 7719 B17R1.4992 CC(C)CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000181311 [0,0,0,0,0,2|1,0,0]=3 7720 B17R1.4992 CC(C)CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000181311 [0,0,0,0,0,2|1,0,0]=3 7721 B17R1.4992 CC(C)CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000181311 [0,0,0,0,0,2|1,0,0]=3 7722 B17R1.4992 CC(C)CNC(=O)C=C/C=C/c1ccccc1 1626a_100000210953_100016289705 [0,0,0,0,0,2|1,0,0]=3 7723 B17R1.4992 CC(C)CNC(=O)C=CCCc1ccccc1 11a_100000210953_100016484021 [0,0,0,0,0,2|1,0,0]=3 7724 B17R1.4992 CC(C)CNC(=O)C=CCCc1ccccc1 1626a_100000210953_100016484021 [0,0,0,0,0,2|1,0,0]=3 7725 B17R1.4992 CC(C)CNC(=O)C=CCCc1ccccc1 240690a_100000210953_100016484021 [0,0,0,0,0,2|1,0,0]=3 7726 B17R1.4992 CC(C)CNC(=O)NC/C=C/c1ccccc1 2708a_100000210953_100020603302 [0,0,0,0,0,2|1,0,0]=3 7727 B17R1.4992 CC(C)CNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000210953 [0,0,0,0,0,2|1,0,0]=3 7728 B17R1.4992 CC(C)CNC(=O)NC/C=C/c1ccccc1 273464a_100000210953_100020603302 [0,0,0,0,0,2|1,0,0]=3 7729 B17R1.4992 CC(C)CNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000210953 [0,0,0,0,0,2|1,0,0]=3 7730 B17R1.4992 CC(C)CNC(=O)NC/C=C/c1ccccc1 512a_100000210953_100020603302 [0,0,0,0,0,2|1,0,0]=3 7731 B17R1.4992 CC(C)CNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000210953 [0,0,0,0,0,2|1,0,0]=3 7732 B17R1.4992 CC(C)NCC(=O)NC/C=C/c1ccccc1 2230a_100138425928_100102863107 [0,0,0,0,0,2|2,0,0]=4 7733 B17R1.4992 CC(C)NCC(=O)NC/C=C/c1ccccc1 34a_100138425928_100102863107 [0,0,0,0,0,2|2,0,0]=4 7734 B17R1.4992 CC(C)NNC(=O)C=C/C=C/c1ccccc1 22a_100000741168_100016289705 [0,0,0,0,0,2|2,0,0]=4 7735 B17R1.4992 CC(C)NNC(=O)C=CCCc1ccccc1 22a_100000741168_100016484021 [0,0,0,0,0,2|2,0,0]=4 7736 B17R1.4992 CC(C)NNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000741168 [0,0,0,0,0,2|2,0,0]=4 7737 B17R1.4992 CC(C)NNC(=O)NC/C=C/c1ccccc1 512a_100000741168_100020603302 [0,0,0,0,0,2|2,0,0]=4 7738 B17R1.4992 CC(C)NNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000741168 [0,0,0,0,0,2|2,0,0]=4 7739 B17R1.4992 CC(C)OCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000745533 [0,0,0,0,0,2|2,0,0]=4 7740 B17R1.4992 CC(C)OCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000745533 [0,0,0,0,0,2|2,0,0]=4 7741 B17R1.4992 CC(C)OCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000745533 [0,0,0,0,0,2|2,0,0]=4 7742 B17R1.4992 CC(C)OCC(=O)NC/C=C/c1ccccc1 34a_100000212225_100102863107 [0,0,0,0,0,2|2,0,0]=4 7743 B17R1.4992 CC(C)OCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000745533 [0,0,0,0,0,2|2,0,0]=4 7744 B17R1.4992 CC(C)SCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000241585 [0,0,0,0,0,2|2,0,0]=4 7745 B17R1.4992 CC(C)SCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000241585 [0,0,0,0,0,2|2,0,0]=4 7746 B17R1.4992 CC(C)SCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000241585 [0,0,0,0,0,2|2,0,0]=4 7747 B17R1.4992 CC(C)SCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000241585 [0,0,0,0,0,2|2,0,0]=4 7748 B17R1.4992 CC(C)SCC(=O)NC/C=C/c1ccccc1 62a_100000210206_100102863107 [0,0,0,0,0,2|2,0,0]=4 7749 B17R1.4992 CC(C)SCC(=O)NC/C=C/c1ccccc1 62a_100102863107_100000210206 [0,0,0,0,0,2|2,0,0]=4 7750 B17R1.4992 CC(O)CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100012276601 [0,0,0,0,0,2|2,0,0]=4 7751 B17R1.4992 CC(O)CCC(=O)C=CCCc1ccccc1 1458a_100016484021_100012276601 [0,0,0,0,0,2|2,0,0]=4 7752 B17R1.4992 CC(O)CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000718519 [0,0,0,0,0,2|2,0,0]=4 7753 B17R1.4992 CC(O)CNC(=O)C=CCCc1ccccc1 11a_100000210904_100016484021 [0,0,0,0,0,2|2,0,0]=4 7754 B17R1.4992 CC(O)CNC(=O)C=CCCc1ccccc1 240690a_100000210904_100016484021 [0,0,0,0,0,2|2,0,0]=4 7755 B17R1.4992 CC(O)CNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000210904 [0,0,0,0,0,2|2,0,0]=4 7756 B17R1.4992 CC(O)CNC(=O)NC/C=C/c1ccccc1 273464a_100000210904_100020603302 [0,0,0,0,0,2|2,0,0]=4 7757 B17R1.4992 CC(O)CNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000210904 [0,0,0,0,0,2|2,0,0]=4 7758 B17R1.4992 CC(O)CNC(=O)NC/C=C/c1ccccc1 512a_100000210904_100020603302 [0,0,0,0,0,2|2,0,0]=4 7759 B17R1.4992 CC(O)CNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000210904 [0,0,0,0,0,2|2,0,0]=4 7760 B17R1.4992 CN(C)CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000689311 [0,0,0,0,0,2|2,0,0]=4 7761 B17R1.4992 CN(C)CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000689311 [0,0,0,0,0,2|2,0,0]=4 7762 B17R1.4992 CN(C)CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000689311 [0,0,0,0,0,2|2,0,0]=4 7763 B17R1.4992 C[S+](C)CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100009452791 [0,0,0,0,0,2|2,0,0]=4 7764 B17R1.4992 C[S+](C)CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100009452791 [0,0,0,0,0,2|2,0,0]=4 7765 B17R1.4992 C[S+](C)CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100009452791 [0,0,0,0,0,2|2,0,0]=4