0 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 C#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.42 C#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.42 C#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [0,0,0,0,0,0|1,0,2]=3 5 B13R1.42 C=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210623 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.42 C=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210623 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.42 C=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210623 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,0,0,0,0,0|1,0,3]=4 9 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,0,0,0,0,0|1,0,3]=4 10 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,0,0,0,0,0|1,0,3]=4 11 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,0,0,0,0,0|1,0,3]=4 12 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,0,0,0,0,0|1,0,3]=4 13 B13R1.42 CC#CC(=O)NNc1ccccc1 22a_100015195140_100000763181 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,0,0,0,0,0|1,0,3]=4 15 B13R1.42 CC=CC(=O)NCc1ccccc1 11a_100015324214_100000210699 [0,0,0,0,0,0|2,0,2]=4 16 B13R1.42 CC=CC(=O)NCc1ccccc1 1626a_100015324214_100000210699 [0,0,0,0,0,0|2,0,2]=4 17 B13R1.42 CC=CC(=O)NCc1ccccc1 240690a_100015324214_100000210699 [0,0,0,0,0,0|2,0,2]=4 18 B13R1.42 CC=CC(=O)NNc1ccccc1 22a_100015195140_100000210699 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.42 CCCC(=NNc1ccccc1)C 4a_100015195140_100000211909 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [0,0,0,0,0,0|1,0,2]=3 21 B13R1.42 CCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210303 [0,0,0,0,0,0|2,0,2]=4 22 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,0,0,0,0,0|1,0,0]=1 23 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,0,0,0,0,0|2,0,0]=2 24 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [0,0,0,0,0,0|2,0,0]=2 26 B13R1.42 CCCC(=O)C=Cc1cncnc1 6a_100000749868_100011215381 [0,0,0,0,0,0|3,0,0]=3 27 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,0,0,0,0,0|1,0,2]=3 28 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,0,0,0,0,0|1,0,2]=3 29 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,0,0,0,0,0|2,0,2]=4 30 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,0,0,0,0,0|2,0,2]=4 31 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,0,0,0,0,0|2,0,2]=4 32 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,0,0,0,0,0|2,0,2]=4 33 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,0,0,0,0,0|2,0,2]=4 34 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,0,0,0,0,0|2,0,2]=4 35 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,0,0,0,0,0|2,0,1]=3 36 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,0,0,0,0,0|2,0,1]=3 37 B13R1.42 CCCC(=O)COc1ccccn1 1458a_100102699861_100000210303 [0,0,0,0,0,0|3,0,1]=4 38 B13R1.42 CCCC(=O)COc1cccnc1 1458a_100015207166_100000210303 [0,0,0,0,0,0|3,0,1]=4 39 B13R1.42 CCCC(=O)COc1cccnc1 7a_100000210849_100000747444 [0,0,0,0,0,0|3,0,1]=4 40 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,0,0,0,0,0|2,0,1]=3 41 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,0,0,0,0,0|2,0,1]=3 42 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,0,0,0,0,0|2,0,1]=3 43 B13R1.42 CCCC(=O)CSc1ccccn1 1458a_100000156281_100000210303 [0,0,0,0,0,0|3,0,1]=4 44 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100000747444_100011216584 [0,0,0,0,0,0|3,0,1]=4 45 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100011216584_100000747444 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000210063_100000747444 [0,0,0,0,0,0|3,0,1]=4 47 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000747444_100000210063 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.42 CCCC(=O)CSc1ccncc1 1458a_100000211328_100000210303 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000728582_100000747444 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000747444_100000728582 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,0,0,0,0,0|2,0,1]=3 52 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,0,0,0,0,0|2,0,1]=3 53 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,0,0,0,0,0|2,0,1]=3 54 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,0,0,0,0,0|2,0,1]=3 55 B13R1.42 CCCC(=O)NCc1ccccn1 11a_100000210449_100000211992 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.42 CCCC(=O)NCc1ccccn1 1626a_100000210449_100000211992 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.42 CCCC(=O)NCc1ccccn1 240690a_100000210449_100000211992 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.42 CCCC(=O)NCc1ccccn1 527a_100000210449_100000211992 [0,0,0,0,0,0|3,0,1]=4 59 B13R1.42 CCCC(=O)NCc1cccnc1 11a_100000210453_100000211992 [0,0,0,0,0,0|3,0,1]=4 60 B13R1.42 CCCC(=O)NCc1cccnc1 240690a_100000210453_100000211992 [0,0,0,0,0,0|3,0,1]=4 61 B13R1.42 CCCC(=O)NCc1cccnc1 527a_100000210453_100000211992 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.42 CCCC(=O)NCc1ccncc1 11a_100000210450_100000211992 [0,0,0,0,0,0|3,0,1]=4 63 B13R1.42 CCCC(=O)NCc1ccncc1 1626a_100000210450_100000211992 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.42 CCCC(=O)NCc1ccncc1 240690a_100000210450_100000211992 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.42 CCCC(=O)NCc1ccncc1 527a_100000210450_100000211992 [0,0,0,0,0,0|3,0,1]=4 66 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [0,0,0,0,0,0|3,0,0]=3 67 B13R1.42 CCCC(=O)NNc1ccccn1 22a_100000183288_100000211992 [0,0,0,0,0,0|4,0,0]=4 68 B13R1.42 CCCC(=O)NNc1cccnc1 22a_100000728903_100000211992 [0,0,0,0,0,0|4,0,0]=4 69 B13R1.42 CCCC(=O)NNc1ccncc1 22a_100000698918_100000211992 [0,0,0,0,0,0|4,0,0]=4 70 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [0,0,0,0,0,0|1,0,2]=3 71 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,0,0,0,0,0|1,0,0]=1 72 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [0,0,0,0,0,0|2,0,0]=2 73 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [0,0,0,0,0,0|2,0,0]=2 74 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [0,0,0,0,0,0|2,0,0]=2 75 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [0,0,0,0,0,0|2,0,0]=2 76 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [0,0,0,0,0,0|2,0,0]=2 77 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,0,0,0,0,0|1,0,2]=3 78 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,0,0,0,0,0|1,0,2]=3 79 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,0,0,0,0,0|1,0,2]=3 80 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [0,0,0,0,0,0|2,0,2]=4 81 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [0,0,0,0,0,0|2,0,2]=4 82 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [0,0,0,0,0,0|2,0,2]=4 83 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [0,0,0,0,0,0|2,0,2]=4 84 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [0,0,0,0,0,0|2,0,2]=4 85 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [0,0,0,0,0,0|2,0,2]=4 86 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [0,0,0,0,0,0|2,0,2]=4 87 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [0,0,0,0,0,0|2,0,2]=4 88 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [0,0,0,0,0,0|2,0,2]=4 89 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,0,0,0,0,0|2,0,1]=3 90 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,0,0,0,0,0|2,0,1]=3 91 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,0,0,0,0,0|2,0,1]=3 92 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,0,0,0,0,0|2,0,1]=3 93 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,0,0,0,0,0|2,0,1]=3 94 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,0,0,0,0,0|2,0,1]=3 95 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [0,0,0,0,0,0|3,0,1]=4 96 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [0,0,0,0,0,0|3,0,1]=4 97 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [0,0,0,0,0,0|3,0,1]=4 98 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [0,0,0,0,0,0|3,0,1]=4 99 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [0,0,0,0,0,0|3,0,1]=4 100 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [0,0,0,0,0,0|3,0,1]=4 101 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [0,0,0,0,0,0|3,0,1]=4 102 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [0,0,0,0,0,0|3,0,1]=4 103 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,0,0,0,0,0|2,0,1]=3 104 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,0,0,0,0,0|2,0,1]=3 105 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,0,0,0,0,0|2,0,1]=3 106 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,0,0,0,0,0|2,0,1]=3 107 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,0,0,0,0,0|2,0,1]=3 108 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [0,0,0,0,0,0|3,0,1]=4 109 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [0,0,0,0,0,0|3,0,1]=4 110 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [0,0,0,0,0,0|3,0,1]=4 111 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [0,0,0,0,0,0|3,0,1]=4 112 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [0,0,0,0,0,0|3,0,1]=4 113 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000183381_100000210063 [0,0,0,0,0,0|3,0,1]=4 114 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000210063_100000183381 [0,0,0,0,0,0|3,0,1]=4 115 B13R1.42 CCNC(=O)CSc1ccncc1 11a_100015525214_100000211328 [0,0,0,0,0,0|3,0,1]=4 116 B13R1.42 CCNC(=O)CSc1ccncc1 240690a_100015525214_100000211328 [0,0,0,0,0,0|3,0,1]=4 117 B13R1.42 CCNC(=O)CSc1ccncc1 527a_100015525214_100000211328 [0,0,0,0,0,0|3,0,1]=4 118 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000183381_100000728582 [0,0,0,0,0,0|3,0,1]=4 119 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000728582_100000183381 [0,0,0,0,0,0|3,0,1]=4 120 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,0,0,0,0,0|2,0,1]=3 121 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,0,0,0,0,0|2,0,1]=3 122 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,0,0,0,0,0|2,0,1]=3 123 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,0,0,0,0,0|2,0,1]=3 124 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,0,0,0,0,0|2,0,1]=3 125 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,0,0,0,0,0|2,0,1]=3 126 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100000210449_100015525214 [0,0,0,0,0,0|3,0,1]=4 127 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100015525214_100000210449 [0,0,0,0,0,0|3,0,1]=4 128 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100000210449_100015525214 [0,0,0,0,0,0|3,0,1]=4 129 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100015525214_100000210449 [0,0,0,0,0,0|3,0,1]=4 130 B13R1.42 CCNC(=O)NCc1ccccn1 512a_100015525214_100000210449 [0,0,0,0,0,0|3,0,1]=4 131 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100000210453_100015525214 [0,0,0,0,0,0|3,0,1]=4 132 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100015525214_100000210453 [0,0,0,0,0,0|3,0,1]=4 133 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100000210453_100015525214 [0,0,0,0,0,0|3,0,1]=4 134 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100015525214_100000210453 [0,0,0,0,0,0|3,0,1]=4 135 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100000210453_100015525214 [0,0,0,0,0,0|3,0,1]=4 136 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100015525214_100000210453 [0,0,0,0,0,0|3,0,1]=4 137 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100000210450_100015525214 [0,0,0,0,0,0|3,0,1]=4 138 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100015525214_100000210450 [0,0,0,0,0,0|3,0,1]=4 139 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100000210450_100015525214 [0,0,0,0,0,0|3,0,1]=4 140 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100015525214_100000210450 [0,0,0,0,0,0|3,0,1]=4 141 B13R1.42 CCNC(=O)NCc1ccncc1 512a_100015525214_100000210450 [0,0,0,0,0,0|3,0,1]=4 142 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [0,0,0,0,0,0|3,0,0]=3 143 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [0,0,0,0,0,0|3,0,0]=3 144 B13R1.42 CCNC(=O)NNc1ccccn1 273464a_100015525214_100000183288 [0,0,0,0,0,0|4,0,0]=4 145 B13R1.42 CCNC(=O)NNc1ccccn1 512a_100015525214_100000183288 [0,0,0,0,0,0|4,0,0]=4 146 B13R1.42 CCNC(=O)NNc1cccnc1 273464a_100015525214_100000728903 [0,0,0,0,0,0|4,0,0]=4 147 B13R1.42 CCNC(=O)NNc1cccnc1 512a_100015525214_100000728903 [0,0,0,0,0,0|4,0,0]=4 148 B13R1.42 CCNC(=O)NNc1ccncc1 273464a_100015525214_100000698918 [0,0,0,0,0,0|4,0,0]=4 149 B13R1.42 CCNC(=O)NNc1ccncc1 512a_100015525214_100000698918 [0,0,0,0,0,0|4,0,0]=4 150 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,0,0,0,0,0|0,0,0]=0 151 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,0,0,0,0,0|1,0,0]=1 152 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,0,0,0,0,0|1,0,0]=1 153 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [0,0,0,0,0,0|2,0,0]=2 154 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,0,0,0,0,0|1,0,0]=1 155 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [0,0,0,0,0,0|2,0,0]=2 156 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [0,0,0,0,0,0|2,0,0]=2 157 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [0,0,0,0,0,0|2,0,0]=2 158 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [0,0,0,0,0,0|2,0,0]=2 159 B13R1.42 CCOC(=O)C=Cc1cnnnc1 271570a_100010199719_100009846058 [0,0,0,0,0,0|3,0,0]=3 160 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [0,0,0,0,0,0|2,0,0]=2 161 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,0,0,0,0,0|1,0,1]=2 162 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,0,0,0,0,0|1,0,1]=2 163 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,0,0,0,0,0|1,0,1]=2 164 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [0,0,0,0,0,0|2,0,1]=3 165 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [0,0,0,0,0,0|2,0,1]=3 166 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [0,0,0,0,0,0|2,0,1]=3 167 B13R1.42 CCOC(=O)COc1ccnnc1 34a_100015204005_100000188475 [0,0,0,0,0,0|3,0,1]=4 168 B13R1.42 CCOC(=O)COc1cncnc1 7a_100000754086_100000188475 [0,0,0,0,0,0|3,0,1]=4 169 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,0,0,0,0,0|1,0,1]=2 170 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,0,0,0,0,0|1,0,1]=2 171 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [0,0,0,0,0,0|2,0,1]=3 172 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [0,0,0,0,0,0|2,0,1]=3 173 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [0,0,0,0,0,0|2,0,1]=3 174 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [0,0,0,0,0,0|2,0,1]=3 175 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100000188475_100016991348 [0,0,0,0,0,0|3,0,1]=4 176 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100016991348_100000188475 [0,0,0,0,0,0|3,0,1]=4 177 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [0,0,0,0,0,0|2,0,1]=3 178 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [0,0,0,0,0,0|2,0,1]=3 179 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000188475_100000703185 [0,0,0,0,0,0|3,0,1]=4 180 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000703185_100000188475 [0,0,0,0,0,0|3,0,1]=4 181 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000188475_100000732662 [0,0,0,0,0,0|3,0,1]=4 182 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000732662_100000188475 [0,0,0,0,0,0|3,0,1]=4 183 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000188475_100000211759 [0,0,0,0,0,0|3,0,1]=4 184 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000211759_100000188475 [0,0,0,0,0,0|3,0,1]=4 185 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100000188475_100011206942 [0,0,0,0,0,0|3,0,1]=4 186 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100011206942_100000188475 [0,0,0,0,0,0|3,0,1]=4 187 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000188475_100000211032 [0,0,0,0,0,0|3,0,1]=4 188 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000211032_100000188475 [0,0,0,0,0,0|3,0,1]=4 189 B13R1.42 CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210202 [0,0,0,0,0,0|1,0,3]=4 190 B13R1.42 CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210202 [0,0,0,0,0,0|1,0,3]=4 191 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,0,0,0,0,0|2,0,2]=4 192 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,0,0,0,0,0|2,0,2]=4 193 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,0,0,0,0,0|1,0,3]=4 194 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,0,0,0,0,0|1,0,3]=4 195 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,0,0,0,0,0|2,0,2]=4 196 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,0,0,0,0,0|2,0,2]=4 197 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,0,0,0,0,0|2,0,2]=4 198 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,0,0,0,0,0|3,0,1]=4 199 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,0,0,0,0,0|3,0,1]=4 200 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,0,0,0,0,0|3,0,1]=4 201 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,0,0,0,0,0|3,0,1]=4 202 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,0,0,0,0,0|3,0,1]=4 203 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,0,0,0,0,0|3,0,1]=4 204 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,0,0,0,0,0|3,0,1]=4 205 B13R1.42 CNNC(=O)C#Cc1ccccc1 22a_100016993582_100000736102 [0,0,0,0,0,0|2,0,2]=4 206 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [0,0,0,0,0,0|2,0,0]=2 207 B13R1.42 CNNC(=O)C=Cc1ccccn1 22a_100016993582_100000740811 [0,0,0,0,0,0|3,0,0]=3 208 B13R1.42 CNNC(=O)C=Cc1cccnc1 22a_100016993582_100000735890 [0,0,0,0,0,0|3,0,0]=3 209 B13R1.42 CNNC(=O)C=Cc1ccncc1 22a_100016993582_100000682801 [0,0,0,0,0,0|3,0,0]=3 210 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,0,0,0,0,0|2,0,2]=4 211 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,0,0,0,0,0|3,0,1]=4 212 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,0,0,0,0,0|3,0,1]=4 213 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [0,0,0,0,0,0|3,0,1]=4 214 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [0,0,0,0,0,0|3,0,1]=4 215 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [0,0,0,0,0,0|3,0,1]=4 216 B13R1.42 CNNC(=O)NNc1ccccc1 512a_100016993582_100015195140 [0,0,0,0,0,0|4,0,0]=4 217 B13R1.42 COCC(=O)C=Cc1cncnc1 6a_100000749868_100000211753 [0,0,0,0,0,0|4,0,0]=4 218 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,0,0,0,0,0|2,0,2]=4 219 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,0,0,0,0,0|2,0,2]=4 220 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,0,0,0,0,0|3,0,1]=4 221 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,0,0,0,0,0|3,0,1]=4 222 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,0,0,0,0,0|3,0,1]=4 223 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,0,0,0,0,0|3,0,1]=4 224 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,0,0,0,0,0|3,0,1]=4 225 B13R1.42 COCC(=O)NNc1ccccc1 22a_100015195140_100000210968 [0,0,0,0,0,0|4,0,0]=4 226 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,0,0,0,0,0|3,0,1]=4 227 B13R1.42 CSCC(=O)C=Cc1cncnc1 6a_100000749868_100011216314 [0,0,0,0,0,0|4,0,0]=4 228 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,0,0,0,0,0|2,0,2]=4 229 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,0,0,0,0,0|2,0,2]=4 230 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,0,0,0,0,0|2,0,2]=4 231 B13R1.42 CSCC(=O)NCc1ccccc1 11a_100015324214_100000184570 [0,0,0,0,0,0|3,0,1]=4 232 B13R1.42 CSCC(=O)NCc1ccccc1 1626a_100015324214_100000184570 [0,0,0,0,0,0|3,0,1]=4 233 B13R1.42 CSCC(=O)NCc1ccccc1 240690a_100015324214_100000184570 [0,0,0,0,0,0|3,0,1]=4 234 B13R1.42 CSCC(=O)NCc1ccccc1 527a_100015324214_100000184570 [0,0,0,0,0,0|3,0,1]=4 235 B13R1.42 CSCC(=O)NCc1ccccc1 62a_100000183539_200000210301 [0,0,0,0,0,0|3,0,1]=4 236 B13R1.42 CSCC(=O)NCc1ccccc1 62a_200000210301_100000183539 [0,0,0,0,0,0|3,0,1]=4 237 B13R1.42 CSCC(=O)NNc1ccccc1 22a_100015195140_100000184570 [0,0,0,0,0,0|4,0,0]=4 238 B13R1.42 CSCC(=O)OCc1ccccc1 62a_100000753625_200000210301 [0,0,0,0,0,0|3,0,1]=4 239 B13R1.42 CSCC(=O)OCc1ccccc1 62a_200000210301_100000753625 [0,0,0,0,0,0|3,0,1]=4 240 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [0,0,0,0,0,0|2,0,1]=3 241 B13R1.42 N#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214920 [0,0,0,0,0,0|3,0,1]=4 242 B13R1.42 N#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214920 [0,0,0,0,0,0|3,0,1]=4 243 B13R1.42 N#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214920 [0,0,0,0,0,0|3,0,1]=4 244 B13R1.42 O=C(C#Cc1ccccc1)CCF 1458a_100000736102_100011217306 [0,0,0,0,0,0|2,0,2]=4 245 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,0,0,0,0,0|2,0,2]=4 246 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,0,0,0,0,0|2,0,0]=2 247 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,0,0,0,0,0|2,0,0]=2 248 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [0,0,0,0,0,0|3,0,0]=3 249 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [0,0,0,0,0,0|3,0,0]=3 250 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [0,0,0,0,0,0|3,0,0]=3 251 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [0,0,0,0,0,0|3,0,0]=3 252 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [0,0,0,0,0,0|3,0,0]=3 253 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [0,0,0,0,0,0|3,0,0]=3 254 B13R1.42 O=C(C=Cc1cncnc1)CCBr 6a_100000749868_100011261029 [0,0,0,0,0,0|4,0,0]=4 255 B13R1.42 O=C(C=Cc1cncnc1)CCCl 6a_100000749868_100000053229 [0,0,0,0,0,0|4,0,0]=4 256 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,0,0,0,0,0|2,0,2]=4 257 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,0,0,0,0,0|3,0,1]=4 258 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [0,0,0,0,0,0|3,0,1]=4 259 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,0,0,0,0,0|2,0,2]=4 260 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,0,0,0,0,0|2,0,2]=4 261 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,0,0,0,0,0|3,0,1]=4 262 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,0,0,0,0,0|3,0,1]=4 263 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,0,0,0,0,0|3,0,1]=4 264 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,0,0,0,0,0|4,0,0]=4 265 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,0,0,0,0,0|3,0,1]=4 266 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,0,0,0,0,0|3,0,1]=4 267 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,0,0,0,0,0|3,0,1]=4 268 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,0,0,0,0,0|3,0,1]=4 269 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,0,0,0,0,0|3,0,1]=4 270 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,0,0,0,0,0|3,0,1]=4 271 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,0,0,0,0,0|2,0,2]=4 272 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,0,0,0,0,0|2,0,2]=4 273 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_100000183539_200025704644 [0,0,0,0,0,0|3,0,1]=4 274 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_200025704644_100000183539 [0,0,0,0,0,0|3,0,1]=4 275 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_100000753625_200025704644 [0,0,0,0,0,0|3,0,1]=4 276 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_200025704644_100000753625 [0,0,0,0,0,0|3,0,1]=4 277 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [1,0,0,0,0,0|2,0,1]=4 278 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [1,0,0,0,0,0|2,0,1]=4 279 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [1,0,0,0,0,0|2,0,1]=4 280 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [1,0,0,0,0,0|2,0,1]=4 281 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [1,0,0,0,0,0|2,0,1]=4 282 B12R1.8 CCCC=NNc1ccccc1 4a_100015195140_100000185831 [1,0,0,0,0,0|3,0,0]=4 283 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [1,0,0,0,0,0|1,0,1]=3 284 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [1,0,0,0,0,0|2,0,1]=4 285 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [1,0,0,0,0,0|2,0,1]=4 286 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [1,0,0,0,0,0|2,0,1]=4 287 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [1,0,0,0,0,0|3,0,0]=4 288 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [1,0,0,0,0,0|1,0,1]=3 289 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [1,0,0,0,0,0|1,0,1]=3 290 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [1,0,0,0,0,0|1,0,1]=3 291 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [1,0,0,0,0,0|1,0,1]=3 292 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [1,0,0,0,0,0|2,0,1]=4 293 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [1,0,0,0,0,0|0,0,1]=2 294 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [1,0,0,0,0,0|0,0,1]=2 295 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [1,0,0,0,0,0|1,0,1]=3 296 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [1,0,0,0,0,0|0,0,3]=4 297 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [1,0,0,0,0,0|0,0,3]=4 298 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [1,0,0,0,0,0|0,0,3]=4 299 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,0,0,0,0,0|0,0,3]=4 300 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,0,0,0,0,0|0,0,3]=4 301 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,0,0,0,0,0|0,0,3]=4 302 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [1,0,0,0,0,0|1,0,2]=4 303 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [1,0,0,0,0,0|1,0,2]=4 304 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [1,0,0,0,0,0|1,0,2]=4 305 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [1,0,0,0,0,0|1,0,2]=4 306 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [1,0,0,0,0,0|1,0,2]=4 307 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [1,0,0,0,0,0|1,0,2]=4 308 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [1,0,0,0,0,0|1,0,2]=4 309 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [1,0,0,0,0,0|1,0,2]=4 310 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [1,0,0,0,0,0|1,0,2]=4 311 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [1,0,0,0,0,0|1,0,2]=4 312 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [1,0,0,0,0,0|1,0,2]=4 313 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [1,0,0,0,0,0|1,0,2]=4 314 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [1,0,0,0,0,0|1,0,2]=4 315 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [1,0,0,0,0,0|1,0,2]=4 316 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [1,0,0,0,0,0|1,0,2]=4 317 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [1,0,0,0,0,0|0,1,1]=3 318 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [1,0,0,0,0,0|0,1,1]=3 319 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [1,0,0,0,0,0|2,0,1]=4 320 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [1,0,0,0,0,0|1,0,1]=3 321 B12R1.8 FCOC/C=C/c1cccnc1 34a_200102594124_100015361967 [1,0,0,0,0,0|2,0,1]=4 322 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [1,0,0,0,0,0|1,1,1]=4 323 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [1,0,0,0,0,0|1,1,1]=4 324 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [1,0,0,0,0,0|0,0,2]=3 325 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [1,0,0,0,0,0|1,0,2]=4 326 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,0,0,0,0,0|0,0,0]=1 327 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [1,0,0,0,0,0|1,0,0]=2 328 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [1,0,0,0,0,0|1,0,0]=2 329 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [1,0,0,0,0,0|1,0,0]=2 330 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [1,0,0,0,0,0|2,0,0]=3 331 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [1,0,0,0,0,0|0,0,2]=3 332 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [1,0,0,0,0,0|0,0,2]=3 333 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [1,0,0,0,0,0|1,0,2]=4 334 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [1,0,0,0,0,0|1,0,2]=4 335 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [1,0,0,0,0,0|1,0,2]=4 336 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [1,0,0,0,0,0|1,0,2]=4 337 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [1,0,0,0,0,0|1,0,2]=4 338 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [1,0,0,0,0,0|1,0,2]=4 339 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [1,0,0,0,0,0|1,0,1]=3 340 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [1,0,0,0,0,0|1,0,1]=3 341 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [1,0,0,0,0,0|2,0,1]=4 342 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [1,0,0,0,0,0|2,0,1]=4 343 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [1,0,0,0,0,0|2,0,1]=4 344 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [1,0,0,0,0,0|1,0,1]=3 345 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [1,0,0,0,0,0|1,0,1]=3 346 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [1,0,0,0,0,0|1,0,1]=3 347 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [1,0,0,0,0,0|2,0,1]=4 348 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [1,0,0,0,0,0|2,0,1]=4 349 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [1,0,0,0,0,0|2,0,1]=4 350 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [1,0,0,0,0,0|2,0,1]=4 351 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [1,0,0,0,0,0|2,0,1]=4 352 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [1,0,0,0,0,0|2,0,1]=4 353 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [1,0,0,0,0,0|2,0,1]=4 354 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [1,0,0,0,0,0|2,0,1]=4 355 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [1,0,0,0,0,0|1,0,1]=3 356 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [1,0,0,0,0,0|1,0,1]=3 357 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [1,0,0,0,0,0|1,0,1]=3 358 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [1,0,0,0,0,0|1,0,1]=3 359 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [1,0,0,0,0,0|2,0,1]=4 360 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [1,0,0,0,0,0|2,0,1]=4 361 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [1,0,0,0,0,0|2,0,1]=4 362 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [1,0,0,0,0,0|2,0,1]=4 363 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [1,0,0,0,0,0|2,0,1]=4 364 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [1,0,0,0,0,0|2,0,1]=4 365 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [1,0,0,0,0,0|2,0,1]=4 366 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [1,0,0,0,0,0|2,0,1]=4 367 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [1,0,0,0,0,0|2,0,1]=4 368 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [1,0,0,0,0,0|2,0,1]=4 369 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [1,0,0,0,0,0|2,0,1]=4 370 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [1,0,0,0,0,0|2,0,0]=3 371 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [1,0,0,0,0,0|3,0,0]=4 372 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [1,0,0,0,0,0|3,0,0]=4 373 B12R1.27 CCC(=O)NNc1ccncc1 22a_100000698918_100000210414 [1,0,0,0,0,0|3,0,0]=4 374 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [1,0,0,0,0,0|1,0,2]=4 375 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,0,0,0,0,0|1,0,0]=2 376 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,0,0,0,0,0|1,0,0]=2 377 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [1,0,0,0,0,0|2,0,0]=3 378 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [1,0,0,0,0,0|2,0,0]=3 379 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [1,0,0,0,0,0|2,0,0]=3 380 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [1,0,0,0,0,0|2,0,0]=3 381 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [1,0,0,0,0,0|2,0,0]=3 382 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,0,0,0,0,0|1,0,2]=4 383 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,0,0,0,0,0|1,0,2]=4 384 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,0,0,0,0,0|1,0,2]=4 385 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,0,0,0,0,0|1,0,2]=4 386 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [1,0,0,0,0,0|2,0,1]=4 387 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [1,0,0,0,0,0|2,0,1]=4 388 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [1,0,0,0,0,0|2,0,1]=4 389 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [1,0,0,0,0,0|2,0,1]=4 390 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [1,0,0,0,0,0|2,0,1]=4 391 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [1,0,0,0,0,0|2,0,1]=4 392 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [1,0,0,0,0,0|2,0,1]=4 393 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [1,0,0,0,0,0|2,0,1]=4 394 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [1,0,0,0,0,0|2,0,1]=4 395 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [1,0,0,0,0,0|2,0,1]=4 396 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [1,0,0,0,0,0|2,0,1]=4 397 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [1,0,0,0,0,0|2,0,1]=4 398 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [1,0,0,0,0,0|2,0,1]=4 399 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [1,0,0,0,0,0|2,0,1]=4 400 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [1,0,0,0,0,0|2,0,1]=4 401 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [1,0,0,0,0,0|2,0,1]=4 402 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [1,0,0,0,0,0|2,0,1]=4 403 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [1,0,0,0,0,0|2,0,1]=4 404 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [1,0,0,0,0,0|2,0,1]=4 405 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [1,0,0,0,0,0|3,0,0]=4 406 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [1,0,0,0,0,0|3,0,0]=4 407 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,0,0,0,0,0|1,0,1]=3 408 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,0,0,0,0,0|1,0,1]=3 409 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,0,0,0,0,0|1,0,1]=3 410 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [1,0,0,0,0,0|2,0,1]=4 411 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [1,0,0,0,0,0|2,0,1]=4 412 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [1,0,0,0,0,0|2,0,1]=4 413 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,0,0,0,0,0|1,0,1]=3 414 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,0,0,0,0,0|1,0,1]=3 415 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [1,0,0,0,0,0|2,0,1]=4 416 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [1,0,0,0,0,0|2,0,1]=4 417 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [1,0,0,0,0,0|2,0,1]=4 418 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [1,0,0,0,0,0|2,0,1]=4 419 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [1,0,0,0,0,0|2,0,1]=4 420 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [1,0,0,0,0,0|2,0,1]=4 421 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [1,0,0,0,0,0|1,0,2]=4 422 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [1,0,0,0,0,0|1,0,0]=2 423 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [1,0,0,0,0,0|2,0,0]=3 424 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [1,0,0,0,0,0|2,0,0]=3 425 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [1,0,0,0,0,0|2,0,0]=3 426 B12R1.27 O=C(C=Cc1cncnc1)CBr 6a_100000749868_100009888967 [1,0,0,0,0,0|3,0,0]=4 427 B12R1.27 O=C(C=Cc1cncnc1)CCl 6a_100000749868_100000086384 [1,0,0,0,0,0|3,0,0]=4 428 B12R1.27 O=C(C=Cc1cncnc1)CF 6a_100000749868_100000764096 [1,0,0,0,0,0|3,0,0]=4 429 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [1,0,0,0,0,0|1,0,2]=4 430 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [1,0,0,0,0,0|2,0,1]=4 431 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [1,0,0,0,0,0|2,0,1]=4 432 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,0,0,0,0,0|1,0,2]=4 433 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,0,0,0,0,0|2,0,1]=4 434 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,0,0,0,0,0|2,0,1]=4 435 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [1,0,0,0,0,0|3,0,0]=4 436 B14R1.29 C#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000184674 [0,1,0,0,0,0|1,0,2]=4 437 B14R1.29 C=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210623 [0,1,0,0,0,0|1,0,2]=4 438 B14R1.29 C=COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000036128 [0,1,0,0,0,0|0,0,3]=4 439 B14R1.29 CC#CC(=O)CC(=O)c1ccccc1 1458a_100000763181_100000211460 [0,1,0,0,0,0|1,0,2]=4 440 B14R1.29 CC(=CC(=O)CC#N)c1ccccc1 1458a_100000743005_100011214920 [0,1,0,0,0,0|2,0,1]=4 441 B14R1.29 CC(=CC(=O)CCF)c1ccccc1 1458a_100000743005_100011217306 [0,1,0,0,0,0|2,0,0]=3 442 B14R1.29 CC(=CC(=O)CCO)c1ccccc1 1458a_100000743005_100000211926 [0,1,0,0,0,0|2,0,0]=3 443 B14R1.29 CC=CC(=O)CC(=O)c1ccccc1 1458a_100000210699_100000211460 [0,1,0,0,0,0|1,0,2]=4 444 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [0,1,0,0,0,0|1,0,0]=2 445 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [0,1,0,0,0,0|1,0,1]=3 446 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [0,1,0,0,0,0|1,0,1]=3 447 B14R1.29 CCCC(=O)CC(=O)c1ccccn1 1458a_100000211992_100000027445 [0,1,0,0,0,0|2,0,1]=4 448 B14R1.29 CCCC(=O)CC(=O)c1cccnc1 1458a_100000211992_100015188593 [0,1,0,0,0,0|2,0,1]=4 449 B14R1.29 CCCC(=O)CC(=O)c1ccncc1 1458a_100000211992_100000027454 [0,1,0,0,0,0|2,0,1]=4 450 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210303 [0,1,0,0,0,0|1,0,2]=4 451 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000211992_100000756946 [0,1,0,0,0,0|1,0,2]=4 452 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000211992_100000185958 [0,1,0,0,0,0|1,0,2]=4 453 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210303 [0,1,0,0,0,0|1,0,2]=4 454 B14R1.29 CCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210303 [0,1,0,0,0,0|2,0,1]=4 455 B14R1.29 CCCC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747444 [0,1,0,0,0,0|2,0,1]=4 456 B14R1.29 CCCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747444 [0,1,0,0,0,0|2,0,1]=4 457 B14R1.29 CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211992_100011933945 [0,1,0,0,0,0|1,0,2]=4 458 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211992 [0,1,0,0,0,0|2,0,1]=4 459 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211992 [0,1,0,0,0,0|2,0,1]=4 460 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211992 [0,1,0,0,0,0|2,0,1]=4 461 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211992 [0,1,0,0,0,0|2,0,1]=4 462 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 11a_100015525214_100000743005 [0,1,0,0,0,0|1,0,0]=2 463 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 240690a_100015525214_100000743005 [0,1,0,0,0,0|1,0,0]=2 464 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 527a_100015525214_100000743005 [0,1,0,0,0,0|1,0,0]=2 465 B14R1.29 CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183381 [0,1,0,0,0,0|1,0,1]=3 466 B14R1.29 CCNC(=O)CC(C)c1ccccc1 11a_100015525214_100000183687 [0,1,0,0,0,0|1,0,2]=4 467 B14R1.29 CCNC(=O)CC(C)c1ccccc1 240690a_100015525214_100000183687 [0,1,0,0,0,0|1,0,2]=4 468 B14R1.29 CCNC(=O)CC(C)c1ccccc1 527a_100015525214_100000183687 [0,1,0,0,0,0|1,0,2]=4 469 B14R1.29 CCNC(=O)CC(O)c1ccccc1 240690a_100015525214_100000690199 [0,1,0,0,0,0|1,0,2]=4 470 B14R1.29 CCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183381 [0,1,0,0,0,0|2,0,1]=4 471 B14R1.29 CCNC(=O)CN(C)c1ccccc1 240690a_100015525214_100000745425 [0,1,0,0,0,0|2,0,1]=4 472 B14R1.29 CCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183381 [0,1,0,0,0,0|2,0,1]=4 473 B14R1.29 CCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183381 [0,1,0,0,0,0|2,0,1]=4 474 B14R1.29 CCNC(=O)CN(C)c1ccccc1 527a_100015525214_100000745425 [0,1,0,0,0,0|2,0,1]=4 475 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100015525214 [0,1,0,0,0,0|2,0,1]=4 476 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100015525214_100000751104 [0,1,0,0,0,0|2,0,1]=4 477 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100015525214 [0,1,0,0,0,0|2,0,1]=4 478 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100015525214_100000751104 [0,1,0,0,0,0|2,0,1]=4 479 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100015525214 [0,1,0,0,0,0|2,0,1]=4 480 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100015525214_100000751104 [0,1,0,0,0,0|2,0,1]=4 481 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [0,1,0,0,0,0|0,0,0]=1 482 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccn1 271570a_100050291487_100011216584 [0,1,0,0,0,0|1,0,0]=2 483 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnc1 271570a_100050291487_100000752921 [0,1,0,0,0,0|1,0,0]=2 484 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnn1 271570a_100050291487_100016991348 [0,1,0,0,0,0|2,0,0]=3 485 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncc1 271570a_100050291487_100000035832 [0,1,0,0,0,0|1,0,0]=2 486 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncn1 271570a_100050291487_100000703185 [0,1,0,0,0,0|2,0,0]=3 487 B14R1.29 CCOC(=O)/C=C(\C)/c1ccnnc1 271570a_100050291487_100000732662 [0,1,0,0,0,0|2,0,0]=3 488 B14R1.29 CCOC(=O)/C=C(\C)/c1cnccn1 271570a_100050291487_100000758340 [0,1,0,0,0,0|2,0,0]=3 489 B14R1.29 CCOC(=O)/C=C(\C)/c1cncnc1 271570a_100050291487_100011206942 [0,1,0,0,0,0|2,0,0]=3 490 B14R1.29 CCOC(=O)/C=C(\C)/c1cnnnc1 271570a_100050291487_100009846058 [0,1,0,0,0,0|3,0,0]=4 491 B14R1.29 CCOC(=O)/C=C(\C)/c1ncccn1 271570a_100050291487_100000211032 [0,1,0,0,0,0|2,0,0]=3 492 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,1,0,0,0,0|0,0,1]=2 493 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000188475 [0,1,0,0,0,0|1,0,1]=3 494 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000219562_200000210301 [0,1,0,0,0,0|1,0,1]=3 495 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000188475 [0,1,0,0,0,0|1,0,1]=3 496 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000219562_200000210301 [0,1,0,0,0,0|1,0,1]=3 497 B14R1.29 CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000188475 [0,1,0,0,0,0|1,0,1]=3 498 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 2230a_100000219562_200025704644 [0,1,0,0,0,0|1,0,1]=3 499 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 269982a_100000219562_200025704644 [0,1,0,0,0,0|1,0,1]=3 500 B14R1.29 CNCC(=O)NC(=O)c1ccccc1 7a_106832991635_100000010347 [0,1,0,0,0,0|3,0,0]=4 501 B14R1.29 CNNC(=O)C=C(C)c1ccccc1 22a_100016993582_100000743005 [0,1,0,0,0,0|2,0,0]=3 502 B14R1.29 COCC(=O)CC(=O)c1ccccc1 1458a_100000210968_100000211460 [0,1,0,0,0,0|2,0,1]=4 503 B14R1.29 CSCC(=O)CC(=O)c1ccccc1 1458a_100000184570_100000211460 [0,1,0,0,0,0|2,0,1]=4 504 B14R1.29 CSCC(=O)NC(=O)c1ccccc1 62a_200000210301_100000010347 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.29 O=C(CC(=O)c1ccccc1)NCO 1458a_100000185807_100000185155 [0,1,0,0,0,0|2,0,1]=4 506 B14R1.29 O=C(CCO)CC(=O)c1ccccc1 1458a_100011216618_100000211460 [0,1,0,0,0,0|2,0,1]=4 507 B14R1.29 [13CH3]SCC(=O)NC(=O)c1ccccc1 62a_200025704644_100000010347 [0,1,0,0,0,0|3,0,0]=4 508 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000184674 [0,1,0,0,0,0|1,0,2]=4 509 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000184674 [0,1,0,0,0,0|1,0,2]=4 510 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000184674 [0,1,0,0,0,0|1,0,2]=4 511 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000184674 [0,1,0,0,0,0|1,0,2]=4 512 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000184674 [0,1,0,0,0,0|1,0,2]=4 513 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210623 [0,1,0,0,0,0|1,0,2]=4 514 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210623 [0,1,0,0,0,0|1,0,2]=4 515 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210623 [0,1,0,0,0,0|1,0,2]=4 516 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210623 [0,1,0,0,0,0|1,0,2]=4 517 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210623 [0,1,0,0,0,0|1,0,2]=4 518 B14R1.32 CCCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210303 [0,1,0,0,0,0|1,0,2]=4 519 B14R1.32 CCCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210303 [0,1,0,0,0,0|1,0,2]=4 520 B14R1.32 CCCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210303 [0,1,0,0,0,0|1,0,2]=4 521 B14R1.32 CCCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210303 [0,1,0,0,0,0|1,0,2]=4 522 B14R1.32 CCCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210303 [0,1,0,0,0,0|1,0,2]=4 523 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210303 [0,1,0,0,0,0|1,0,0]=2 524 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215381 [0,1,0,0,0,0|1,0,0]=2 525 B14R1.32 CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210303 [0,1,0,0,0,0|1,0,0]=2 526 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210303 [0,1,0,0,0,0|1,0,0]=2 527 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210303 [0,1,0,0,0,0|1,0,0]=2 528 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215381 [0,1,0,0,0,0|1,0,0]=2 529 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210303 [0,1,0,0,0,0|1,0,0]=2 530 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215381 [0,1,0,0,0,0|1,0,0]=2 531 B14R1.32 CCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011215381 [0,1,0,0,0,0|2,0,0]=3 532 B14R1.32 CCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011215381 [0,1,0,0,0,0|2,0,0]=3 533 B14R1.32 CCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011215381 [0,1,0,0,0,0|2,0,0]=3 534 B14R1.32 CCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011215381 [0,1,0,0,0,0|2,0,0]=3 535 B14R1.32 CCCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100011215381 [0,1,0,0,0,0|3,0,0]=4 536 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210303 [0,1,0,0,0,0|1,0,2]=4 537 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000211992_100011740638 [0,1,0,0,0,0|1,0,2]=4 538 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000211992_100011713685 [0,1,0,0,0,0|1,0,2]=4 539 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210303 [0,1,0,0,0,0|1,0,2]=4 540 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000211992_100011713710 [0,1,0,0,0,0|1,0,2]=4 541 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210303 [0,1,0,0,0,0|1,0,2]=4 542 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000211992_100011217235 [0,1,0,0,0,0|1,0,2]=4 543 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210303 [0,1,0,0,0,0|1,0,2]=4 544 B14R1.32 CCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210303 [0,1,0,0,0,0|1,0,2]=4 545 B14R1.32 CCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210303 [0,1,0,0,0,0|1,0,2]=4 546 B14R1.32 CCCC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747444 [0,1,0,0,0,0|2,0,1]=4 547 B14R1.32 CCCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210303 [0,1,0,0,0,0|2,0,1]=4 548 B14R1.32 CCCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747444 [0,1,0,0,0,0|2,0,1]=4 549 B14R1.32 CCCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210303 [0,1,0,0,0,0|2,0,1]=4 550 B14R1.32 CCCC(=O)COc1cccc(c1)C 7a_100000210337_100000747444 [0,1,0,0,0,0|2,0,1]=4 551 B14R1.32 CCCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210303 [0,1,0,0,0,0|2,0,1]=4 552 B14R1.32 CCCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747444 [0,1,0,0,0,0|2,0,1]=4 553 B14R1.32 CCCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210303 [0,1,0,0,0,0|2,0,1]=4 554 B14R1.32 CCCC(=O)COc1cccc(c1)F 7a_100000210426_100000747444 [0,1,0,0,0,0|2,0,1]=4 555 B14R1.32 CCCC(=O)COc1cccc(c1)I 7a_100000211634_100000747444 [0,1,0,0,0,0|2,0,1]=4 556 B14R1.32 CCCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210303 [0,1,0,0,0,0|2,0,1]=4 557 B14R1.32 CCCC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747444 [0,1,0,0,0,0|2,0,1]=4 558 B14R1.32 CCCC(=O)CSc1cccc(c1)Br 62a_100000747444_100000691529 [0,1,0,0,0,0|2,0,1]=4 559 B14R1.32 CCCC(=O)CSc1cccc(c1)C 62a_100000747444_100011215228 [0,1,0,0,0,0|2,0,1]=4 560 B14R1.32 CCCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747444 [0,1,0,0,0,0|2,0,1]=4 561 B14R1.32 CCCC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747444 [0,1,0,0,0,0|2,0,1]=4 562 B14R1.32 CCCC(=O)CSc1cccc(c1)Cl 62a_100000747444_100000699651 [0,1,0,0,0,0|2,0,1]=4 563 B14R1.32 CCCC(=O)CSc1cccc(c1)F 62a_100000685547_100000747444 [0,1,0,0,0,0|2,0,1]=4 564 B14R1.32 CCCC(=O)CSc1cccc(c1)F 62a_100000747444_100000685547 [0,1,0,0,0,0|2,0,1]=4 565 B14R1.32 CCCC(=O)CSc1cccc(c1)N 62a_100000210019_100000747444 [0,1,0,0,0,0|2,0,1]=4 566 B14R1.32 CCCC(=O)CSc1cccc(c1)N 62a_100000747444_100000210019 [0,1,0,0,0,0|2,0,1]=4 567 B14R1.32 CCCC(=O)CSc1cccc(c1)O 62a_100000747444_100000211634 [0,1,0,0,0,0|2,0,1]=4 568 B14R1.32 CCCC(=O)CSc1cccc(c1)[S] 62a_100000747444_114929384022 [0,1,0,0,0,0|2,0,1]=4 569 B14R1.32 CCCC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747444 [0,1,0,0,0,0|2,0,1]=4 570 B14R1.32 CCCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000211992 [0,1,0,0,0,0|2,0,1]=4 571 B14R1.32 CCCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000211992 [0,1,0,0,0,0|2,0,1]=4 572 B14R1.32 CCCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000211992 [0,1,0,0,0,0|2,0,1]=4 573 B14R1.32 CCCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000211992 [0,1,0,0,0,0|2,0,1]=4 574 B14R1.32 CCCC(=O)NCc1cccc(c1)C 11a_100000185548_100000211992 [0,1,0,0,0,0|2,0,1]=4 575 B14R1.32 CCCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000211992 [0,1,0,0,0,0|2,0,1]=4 576 B14R1.32 CCCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000211992 [0,1,0,0,0,0|2,0,1]=4 577 B14R1.32 CCCC(=O)NCc1cccc(c1)C 527a_100000185548_100000211992 [0,1,0,0,0,0|2,0,1]=4 578 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000211992 [0,1,0,0,0,0|2,0,1]=4 579 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000211992 [0,1,0,0,0,0|2,0,1]=4 580 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000211992 [0,1,0,0,0,0|2,0,1]=4 581 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000211992 [0,1,0,0,0,0|2,0,1]=4 582 B14R1.32 CCCC(=O)NCc1cccc(c1)F 11a_100000174948_100000211992 [0,1,0,0,0,0|2,0,1]=4 583 B14R1.32 CCCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000211992 [0,1,0,0,0,0|2,0,1]=4 584 B14R1.32 CCCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000211992 [0,1,0,0,0,0|2,0,1]=4 585 B14R1.32 CCCC(=O)NCc1cccc(c1)F 527a_100000174948_100000211992 [0,1,0,0,0,0|2,0,1]=4 586 B14R1.32 CCCC(=O)NCc1cccc(c1)I 11a_100000106179_100000211992 [0,1,0,0,0,0|2,0,1]=4 587 B14R1.32 CCCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000211992 [0,1,0,0,0,0|2,0,1]=4 588 B14R1.32 CCCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000211992 [0,1,0,0,0,0|2,0,1]=4 589 B14R1.32 CCCC(=O)NCc1cccc(c1)I 527a_100000106179_100000211992 [0,1,0,0,0,0|2,0,1]=4 590 B14R1.32 CCCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000211992 [0,1,0,0,0,0|2,0,1]=4 591 B14R1.32 CCCC(=O)NCc1cccc(c1)O 527a_100000743036_100000211992 [0,1,0,0,0,0|2,0,1]=4 592 B14R1.32 CCCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000211992 [0,1,0,0,0,0|3,0,0]=4 593 B14R1.32 CCCC(=O)NNc1cccc(c1)C 22a_100000681630_100000211992 [0,1,0,0,0,0|3,0,0]=4 594 B14R1.32 CCCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000211992 [0,1,0,0,0,0|3,0,0]=4 595 B14R1.32 CCCC(=O)NNc1cccc(c1)F 22a_100000745080_100000211992 [0,1,0,0,0,0|3,0,0]=4 596 B14R1.32 CCCC(=O)NNc1cccc(c1)I 22a_100020605690_100000211992 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.32 CCNC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266304 [0,1,0,0,0,0|1,0,0]=2 598 B14R1.32 CCNC(=O)C#Cc1cccc(c1)C 240690a_100015525214_100011892726 [0,1,0,0,0,0|1,0,2]=4 599 B14R1.32 CCNC(=O)C#Cc1cccc(c1)Cl 240690a_100015525214_100011892777 [0,1,0,0,0,0|1,0,2]=4 600 B14R1.32 CCNC(=O)C#Cc1cccc(c1)F 240690a_100015525214_100011892744 [0,1,0,0,0,0|1,0,2]=4 601 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 11a_100015525214_100016258244 [0,1,0,0,0,0|1,0,0]=2 602 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 240690a_100015525214_100016258244 [0,1,0,0,0,0|1,0,0]=2 603 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 11a_100015525214_100000690095 [0,1,0,0,0,0|1,0,0]=2 604 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 240690a_100015525214_100000690095 [0,1,0,0,0,0|1,0,0]=2 605 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 11a_100015525214_100000184502 [0,1,0,0,0,0|1,0,0]=2 606 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015525214_100000184502 [0,1,0,0,0,0|1,0,0]=2 607 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 11a_100015525214_100000718793 [0,1,0,0,0,0|1,0,0]=2 608 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 240690a_100015525214_100000718793 [0,1,0,0,0,0|1,0,0]=2 609 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 11a_100015525214_100020647043 [0,1,0,0,0,0|1,0,0]=2 610 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 240690a_100015525214_100020647043 [0,1,0,0,0,0|1,0,0]=2 611 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 11a_100015525214_100000184314 [0,1,0,0,0,0|1,0,2]=4 612 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 240690a_100015525214_100000184314 [0,1,0,0,0,0|1,0,2]=4 613 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 527a_100015525214_100000184314 [0,1,0,0,0,0|1,0,2]=4 614 B14R1.32 CCNC(=O)CCc1cccc(c1)C 11a_100015525214_100000234952 [0,1,0,0,0,0|1,0,2]=4 615 B14R1.32 CCNC(=O)CCc1cccc(c1)C 240690a_100015525214_100000234952 [0,1,0,0,0,0|1,0,2]=4 616 B14R1.32 CCNC(=O)CCc1cccc(c1)C 527a_100015525214_100000234952 [0,1,0,0,0,0|1,0,2]=4 617 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 11a_100015525214_100000235675 [0,1,0,0,0,0|1,0,2]=4 618 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 240690a_100015525214_100000235675 [0,1,0,0,0,0|1,0,2]=4 619 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 527a_100015525214_100000235675 [0,1,0,0,0,0|1,0,2]=4 620 B14R1.32 CCNC(=O)CCc1cccc(c1)F 11a_100015525214_100000235673 [0,1,0,0,0,0|1,0,2]=4 621 B14R1.32 CCNC(=O)CCc1cccc(c1)F 240690a_100015525214_100000235673 [0,1,0,0,0,0|1,0,2]=4 622 B14R1.32 CCNC(=O)CCc1cccc(c1)F 527a_100015525214_100000235673 [0,1,0,0,0,0|1,0,2]=4 623 B14R1.32 CCNC(=O)CCc1cccc(c1)I 11a_100015525214_100010007846 [0,1,0,0,0,0|1,0,2]=4 624 B14R1.32 CCNC(=O)CCc1cccc(c1)I 240690a_100015525214_100010007846 [0,1,0,0,0,0|1,0,2]=4 625 B14R1.32 CCNC(=O)CCc1cccc(c1)I 527a_100015525214_100010007846 [0,1,0,0,0,0|1,0,2]=4 626 B14R1.32 CCNC(=O)CCc1cccc(c1)O 240690a_100015525214_100011216126 [0,1,0,0,0,0|1,0,2]=4 627 B14R1.32 CCNC(=O)CCc1cccc(c1)O 527a_100015525214_100011216126 [0,1,0,0,0,0|1,0,2]=4 628 B14R1.32 CCNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183381 [0,1,0,0,0,0|2,0,1]=4 629 B14R1.32 CCNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183381 [0,1,0,0,0,0|2,0,1]=4 630 B14R1.32 CCNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183381 [0,1,0,0,0,0|2,0,1]=4 631 B14R1.32 CCNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183381 [0,1,0,0,0,0|2,0,1]=4 632 B14R1.32 CCNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183381 [0,1,0,0,0,0|2,0,1]=4 633 B14R1.32 CCNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183381 [0,1,0,0,0,0|2,0,1]=4 634 B14R1.32 CCNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183381 [0,1,0,0,0,0|2,0,1]=4 635 B14R1.32 CCNC(=O)COc1cccc(c1)Br 11a_100015525214_100000182359 [0,1,0,0,0,0|2,0,1]=4 636 B14R1.32 CCNC(=O)COc1cccc(c1)Br 240690a_100015525214_100000182359 [0,1,0,0,0,0|2,0,1]=4 637 B14R1.32 CCNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183381 [0,1,0,0,0,0|2,0,1]=4 638 B14R1.32 CCNC(=O)COc1cccc(c1)Br 527a_100015525214_100000182359 [0,1,0,0,0,0|2,0,1]=4 639 B14R1.32 CCNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183381 [0,1,0,0,0,0|2,0,1]=4 640 B14R1.32 CCNC(=O)COc1cccc(c1)C 11a_100015525214_100000183606 [0,1,0,0,0,0|2,0,1]=4 641 B14R1.32 CCNC(=O)COc1cccc(c1)C 240690a_100015525214_100000183606 [0,1,0,0,0,0|2,0,1]=4 642 B14R1.32 CCNC(=O)COc1cccc(c1)C 34a_100000210337_100000183381 [0,1,0,0,0,0|2,0,1]=4 643 B14R1.32 CCNC(=O)COc1cccc(c1)C 527a_100015525214_100000183606 [0,1,0,0,0,0|2,0,1]=4 644 B14R1.32 CCNC(=O)COc1cccc(c1)C 7a_100000210337_100000183381 [0,1,0,0,0,0|2,0,1]=4 645 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 11a_100015525214_100000184978 [0,1,0,0,0,0|2,0,1]=4 646 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 240690a_100015525214_100000184978 [0,1,0,0,0,0|2,0,1]=4 647 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183381 [0,1,0,0,0,0|2,0,1]=4 648 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 527a_100015525214_100000184978 [0,1,0,0,0,0|2,0,1]=4 649 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183381 [0,1,0,0,0,0|2,0,1]=4 650 B14R1.32 CCNC(=O)COc1cccc(c1)F 11a_100015525214_100000182781 [0,1,0,0,0,0|2,0,1]=4 651 B14R1.32 CCNC(=O)COc1cccc(c1)F 240690a_100015525214_100000182781 [0,1,0,0,0,0|2,0,1]=4 652 B14R1.32 CCNC(=O)COc1cccc(c1)F 34a_100000210426_100000183381 [0,1,0,0,0,0|2,0,1]=4 653 B14R1.32 CCNC(=O)COc1cccc(c1)F 527a_100015525214_100000182781 [0,1,0,0,0,0|2,0,1]=4 654 B14R1.32 CCNC(=O)COc1cccc(c1)F 7a_100000210426_100000183381 [0,1,0,0,0,0|2,0,1]=4 655 B14R1.32 CCNC(=O)COc1cccc(c1)I 34a_100000211634_100000183381 [0,1,0,0,0,0|2,0,1]=4 656 B14R1.32 CCNC(=O)COc1cccc(c1)I 7a_100000211634_100000183381 [0,1,0,0,0,0|2,0,1]=4 657 B14R1.32 CCNC(=O)COc1cccc(c1)N 34a_100000210217_100000183381 [0,1,0,0,0,0|2,0,1]=4 658 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 11a_100015525214_100000760868 [0,1,0,0,0,0|2,0,1]=4 659 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 240690a_100015525214_100000760868 [0,1,0,0,0,0|2,0,1]=4 660 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 527a_100015525214_100000760868 [0,1,0,0,0,0|2,0,1]=4 661 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 62a_100000183381_100000691529 [0,1,0,0,0,0|2,0,1]=4 662 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183381 [0,1,0,0,0,0|2,0,1]=4 663 B14R1.32 CCNC(=O)CSc1cccc(c1)C 62a_100000183381_100011215228 [0,1,0,0,0,0|2,0,1]=4 664 B14R1.32 CCNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183381 [0,1,0,0,0,0|2,0,1]=4 665 B14R1.32 CCNC(=O)CSc1cccc(c1)Cl 62a_100000183381_100000699651 [0,1,0,0,0,0|2,0,1]=4 666 B14R1.32 CCNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183381 [0,1,0,0,0,0|2,0,1]=4 667 B14R1.32 CCNC(=O)CSc1cccc(c1)F 62a_100000183381_100000685547 [0,1,0,0,0,0|2,0,1]=4 668 B14R1.32 CCNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183381 [0,1,0,0,0,0|2,0,1]=4 669 B14R1.32 CCNC(=O)CSc1cccc(c1)N 62a_100000183381_100000210019 [0,1,0,0,0,0|2,0,1]=4 670 B14R1.32 CCNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183381 [0,1,0,0,0,0|2,0,1]=4 671 B14R1.32 CCNC(=O)CSc1cccc(c1)O 62a_100000183381_100000211634 [0,1,0,0,0,0|2,0,1]=4 672 B14R1.32 CCNC(=O)CSc1cccc(c1)[S] 62a_100000183381_114929384022 [0,1,0,0,0,0|2,0,1]=4 673 B14R1.32 CCNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183381 [0,1,0,0,0,0|2,0,1]=4 674 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100015525214 [0,1,0,0,0,0|2,0,1]=4 675 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 2708a_100015525214_100000174977 [0,1,0,0,0,0|2,0,1]=4 676 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100015525214 [0,1,0,0,0,0|2,0,1]=4 677 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 273464a_100015525214_100000174977 [0,1,0,0,0,0|2,0,1]=4 678 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 512a_100000174977_100015525214 [0,1,0,0,0,0|2,0,1]=4 679 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 512a_100015525214_100000174977 [0,1,0,0,0,0|2,0,1]=4 680 B14R1.32 CCNC(=O)NCc1cccc(c1)C 2708a_100000185548_100015525214 [0,1,0,0,0,0|2,0,1]=4 681 B14R1.32 CCNC(=O)NCc1cccc(c1)C 2708a_100015525214_100000185548 [0,1,0,0,0,0|2,0,1]=4 682 B14R1.32 CCNC(=O)NCc1cccc(c1)C 273464a_100000185548_100015525214 [0,1,0,0,0,0|2,0,1]=4 683 B14R1.32 CCNC(=O)NCc1cccc(c1)C 273464a_100015525214_100000185548 [0,1,0,0,0,0|2,0,1]=4 684 B14R1.32 CCNC(=O)NCc1cccc(c1)C 512a_100000185548_100015525214 [0,1,0,0,0,0|2,0,1]=4 685 B14R1.32 CCNC(=O)NCc1cccc(c1)C 512a_100015525214_100000185548 [0,1,0,0,0,0|2,0,1]=4 686 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100015525214 [0,1,0,0,0,0|2,0,1]=4 687 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 2708a_100015525214_100000174878 [0,1,0,0,0,0|2,0,1]=4 688 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100015525214 [0,1,0,0,0,0|2,0,1]=4 689 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 273464a_100015525214_100000174878 [0,1,0,0,0,0|2,0,1]=4 690 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100015525214 [0,1,0,0,0,0|2,0,1]=4 691 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 512a_100015525214_100000174878 [0,1,0,0,0,0|2,0,1]=4 692 B14R1.32 CCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100015525214 [0,1,0,0,0,0|2,0,1]=4 693 B14R1.32 CCNC(=O)NCc1cccc(c1)F 2708a_100015525214_100000174948 [0,1,0,0,0,0|2,0,1]=4 694 B14R1.32 CCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100015525214 [0,1,0,0,0,0|2,0,1]=4 695 B14R1.32 CCNC(=O)NCc1cccc(c1)F 273464a_100015525214_100000174948 [0,1,0,0,0,0|2,0,1]=4 696 B14R1.32 CCNC(=O)NCc1cccc(c1)F 512a_100000174948_100015525214 [0,1,0,0,0,0|2,0,1]=4 697 B14R1.32 CCNC(=O)NCc1cccc(c1)F 512a_100015525214_100000174948 [0,1,0,0,0,0|2,0,1]=4 698 B14R1.32 CCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100015525214 [0,1,0,0,0,0|2,0,1]=4 699 B14R1.32 CCNC(=O)NCc1cccc(c1)I 2708a_100015525214_100000106179 [0,1,0,0,0,0|2,0,1]=4 700 B14R1.32 CCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100015525214 [0,1,0,0,0,0|2,0,1]=4 701 B14R1.32 CCNC(=O)NCc1cccc(c1)I 273464a_100015525214_100000106179 [0,1,0,0,0,0|2,0,1]=4 702 B14R1.32 CCNC(=O)NCc1cccc(c1)I 512a_100000106179_100015525214 [0,1,0,0,0,0|2,0,1]=4 703 B14R1.32 CCNC(=O)NCc1cccc(c1)I 512a_100015525214_100000106179 [0,1,0,0,0,0|2,0,1]=4 704 B14R1.32 CCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100015525214 [0,1,0,0,0,0|2,0,1]=4 705 B14R1.32 CCNC(=O)NCc1cccc(c1)O 2708a_100015525214_100000743036 [0,1,0,0,0,0|2,0,1]=4 706 B14R1.32 CCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100015525214 [0,1,0,0,0,0|2,0,1]=4 707 B14R1.32 CCNC(=O)NCc1cccc(c1)O 273464a_100015525214_100000743036 [0,1,0,0,0,0|2,0,1]=4 708 B14R1.32 CCNC(=O)NCc1cccc(c1)O 512a_100000743036_100015525214 [0,1,0,0,0,0|2,0,1]=4 709 B14R1.32 CCNC(=O)NCc1cccc(c1)O 512a_100015525214_100000743036 [0,1,0,0,0,0|2,0,1]=4 710 B14R1.32 CCNC(=O)NNc1cccc(c1)Br 273464a_100015525214_100000217339 [0,1,0,0,0,0|3,0,0]=4 711 B14R1.32 CCNC(=O)NNc1cccc(c1)Br 512a_100000217339_100015525214 [0,1,0,0,0,0|3,0,0]=4 712 B14R1.32 CCNC(=O)NNc1cccc(c1)Br 512a_100015525214_100000217339 [0,1,0,0,0,0|3,0,0]=4 713 B14R1.32 CCNC(=O)NNc1cccc(c1)C 273464a_100015525214_100000681630 [0,1,0,0,0,0|3,0,0]=4 714 B14R1.32 CCNC(=O)NNc1cccc(c1)C 512a_100000681630_100015525214 [0,1,0,0,0,0|3,0,0]=4 715 B14R1.32 CCNC(=O)NNc1cccc(c1)C 512a_100015525214_100000681630 [0,1,0,0,0,0|3,0,0]=4 716 B14R1.32 CCNC(=O)NNc1cccc(c1)Cl 273464a_100015525214_100000184277 [0,1,0,0,0,0|3,0,0]=4 717 B14R1.32 CCNC(=O)NNc1cccc(c1)Cl 512a_100015525214_100000184277 [0,1,0,0,0,0|3,0,0]=4 718 B14R1.32 CCNC(=O)NNc1cccc(c1)F 273464a_100015525214_100000745080 [0,1,0,0,0,0|3,0,0]=4 719 B14R1.32 CCNC(=O)NNc1cccc(c1)F 512a_100000745080_100015525214 [0,1,0,0,0,0|3,0,0]=4 720 B14R1.32 CCNC(=O)NNc1cccc(c1)F 512a_100015525214_100000745080 [0,1,0,0,0,0|3,0,0]=4 721 B14R1.32 CCNC(=O)NNc1cccc(c1)I 273464a_100015525214_100020605690 [0,1,0,0,0,0|3,0,0]=4 722 B14R1.32 CCNC(=O)NNc1cccc(c1)I 512a_100015525214_100020605690 [0,1,0,0,0,0|3,0,0]=4 723 B14R1.32 CCNC(=O)NNc1cccc(c1)I 512a_100020605690_100015525214 [0,1,0,0,0,0|3,0,0]=4 724 B14R1.32 CCOC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016304034 [0,1,0,0,0,0|0,0,0]=1 725 B14R1.32 CCOC(=O)C=Cc1c[n+](ccn1)[O-] 271570a_100010199719_100009880115 [0,1,0,0,0,0|2,0,0]=3 726 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)C 271570a_100010199719_100000750283 [0,1,0,0,0,0|1,0,0]=2 727 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)Cl 271570a_100010199719_100010167805 [0,1,0,0,0,0|1,0,0]=2 728 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)F 271570a_100010199719_100009817058 [0,1,0,0,0,0|1,0,0]=2 729 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)N 271570a_100010199719_100009814236 [0,1,0,0,0,0|1,0,0]=2 730 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)O 271570a_100010199719_100000762945 [0,1,0,0,0,0|1,0,0]=2 731 B14R1.32 CCOC(=O)C=Cc1cc(cnn1)C 271570a_100010199719_100000070100 [0,1,0,0,0,0|2,0,0]=3 732 B14R1.32 CCOC(=O)C=Cc1cc(cnn1)O 271570a_100010199719_200010734679 [0,1,0,0,0,0|2,0,0]=3 733 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)C 271570a_100010199719_100000744208 [0,1,0,0,0,0|2,0,0]=3 734 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)F 271570a_100010199719_200009880791 [0,1,0,0,0,0|2,0,0]=3 735 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)N 271570a_100010199719_100000701291 [0,1,0,0,0,0|2,0,0]=3 736 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)O 271570a_100010199719_100000765262 [0,1,0,0,0,0|2,0,0]=3 737 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)c1 271570a_100010199719_100009816521 [0,1,0,0,0,0|1,0,0]=2 738 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)n1 271570a_100010199719_200000134032 [0,1,0,0,0,0|2,0,0]=3 739 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)C 271570a_100010199719_100009996589 [0,1,0,0,0,0|1,0,0]=2 740 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)[O-] 271570a_100010199719_100009815978 [0,1,0,0,0,0|1,0,0]=2 741 B14R1.32 CCOC(=O)C=Cc1cccc(=O)[nH]1 271570a_100010199719_100000761760 [0,1,0,0,0,0|1,0,0]=2 742 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Br 271570a_100010199719_100000691529 [0,1,0,0,0,0|0,0,0]=1 743 B14R1.32 CCOC(=O)C=Cc1cccc(c1)C 271570a_100010199719_100011215228 [0,1,0,0,0,0|0,0,0]=1 744 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Cl 271570a_100010199719_100000699651 [0,1,0,0,0,0|0,0,0]=1 745 B14R1.32 CCOC(=O)C=Cc1cccc(c1)F 271570a_100010199719_100000685547 [0,1,0,0,0,0|0,0,0]=1 746 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N 271570a_100010199719_100000210019 [0,1,0,0,0,0|0,0,0]=1 747 B14R1.32 CCOC(=O)C=Cc1cccc(c1)O 271570a_100010199719_100000211634 [0,1,0,0,0,0|0,0,0]=1 748 B14R1.32 CCOC(=O)C=Cc1cccc(c1)[S] 271570a_100010199719_114929384022 [0,1,0,0,0,0|0,0,0]=1 749 B14R1.32 CCOC(=O)C=Cc1cccc(n1)Br 271570a_100010199719_100000684672 [0,1,0,0,0,0|1,0,0]=2 750 B14R1.32 CCOC(=O)C=Cc1cccc(n1)C 271570a_100010199719_100000742759 [0,1,0,0,0,0|1,0,0]=2 751 B14R1.32 CCOC(=O)C=Cc1cccc(n1)F 271570a_100010199719_100009815982 [0,1,0,0,0,0|1,0,0]=2 752 B14R1.32 CCOC(=O)C=Cc1cccc(n1)N 271570a_100010199719_100000740741 [0,1,0,0,0,0|1,0,0]=2 753 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Br 271570a_100010199719_100009814637 [0,1,0,0,0,0|1,0,0]=2 754 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)C 271570a_100010199719_100000758586 [0,1,0,0,0,0|1,0,0]=2 755 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl 271570a_100010199719_100000035001 [0,1,0,0,0,0|1,0,0]=2 756 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)F 271570a_100010199719_100009816116 [0,1,0,0,0,0|1,0,0]=2 757 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)N 271570a_100010199719_100000744379 [0,1,0,0,0,0|1,0,0]=2 758 B14R1.32 CCOC(=O)C=Cc1ccnc(n1)C 271570a_100010199719_100000749937 [0,1,0,0,0,0|2,0,0]=3 759 B14R1.32 CCOC(=O)C=Cc1ccnc(n1)N 271570a_100010199719_100009820717 [0,1,0,0,0,0|2,0,0]=3 760 B14R1.32 CCOC(=O)C=Cc1cn[nH]c(=O)c1 271570a_100010199719_100010197405 [0,1,0,0,0,0|2,0,0]=3 761 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Br 271570a_100010199719_100000728054 [0,1,0,0,0,0|1,0,0]=2 762 B14R1.32 CCOC(=O)C=Cc1cncc(c1)C 271570a_100010199719_100000760492 [0,1,0,0,0,0|1,0,0]=2 763 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Cl 271570a_100010199719_100000049639 [0,1,0,0,0,0|1,0,0]=2 764 B14R1.32 CCOC(=O)C=Cc1cncc(c1)F 271570a_100010199719_100000744099 [0,1,0,0,0,0|1,0,0]=2 765 B14R1.32 CCOC(=O)C=Cc1cncc(c1)N 271570a_100010199719_100000687067 [0,1,0,0,0,0|1,0,0]=2 766 B14R1.32 CCOC(=O)C=Cc1cncc(c1)O 271570a_100010199719_100000754920 [0,1,0,0,0,0|1,0,0]=2 767 B14R1.32 CCOC(=O)C=Cc1cncc(n1)C 271570a_100010199719_100009842155 [0,1,0,0,0,0|2,0,0]=3 768 B14R1.32 CCOC(=O)C=Cc1cncc(n1)F 271570a_100010199719_200009863489 [0,1,0,0,0,0|2,0,0]=3 769 B14R1.32 CCOC(=O)C=Cc1cncc(n1)N 271570a_100010199719_100009819714 [0,1,0,0,0,0|2,0,0]=3 770 B14R1.32 CCOC(=O)C=Cc1cncc(n1)O 271570a_100010199719_100011269956 [0,1,0,0,0,0|2,0,0]=3 771 B14R1.32 CCOC(=O)C=Cc1cnnc(c1)N 271570a_100010199719_100000130277 [0,1,0,0,0,0|2,0,0]=3 772 B14R1.32 CCOC(=O)C=Cc1nccc(n1)C 271570a_100010199719_100011243806 [0,1,0,0,0,0|2,0,0]=3 773 B14R1.32 CCOC(=O)C=Cc1nccc(n1)N 271570a_100010199719_100000757536 [0,1,0,0,0,0|2,0,0]=3 774 B14R1.32 CCOC(=O)C=Cc1nccc(n1)O 271570a_100010199719_100011649813 [0,1,0,0,0,0|2,0,0]=3 775 B14R1.32 CCOC(=O)C=Cc1ncnc(n1)N 271570a_100010199719_100000123831 [0,1,0,0,0,0|3,0,0]=4 776 B14R1.32 CCOC(=O)CCc1cccc(c1)O 271570a_203496583355_200000172381 [0,1,0,0,0,0|0,0,2]=3 777 B14R1.32 CCOC(=O)CNc1cccc(c1)Br 34a_100000210019_100000188475 [0,1,0,0,0,0|1,0,1]=3 778 B14R1.32 CCOC(=O)CNc1cccc(c1)C 2230a_100000188690_100000188475 [0,1,0,0,0,0|1,0,1]=3 779 B14R1.32 CCOC(=O)CNc1cccc(c1)C 34a_100000188690_100000188475 [0,1,0,0,0,0|1,0,1]=3 780 B14R1.32 CCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000188475 [0,1,0,0,0,0|1,0,1]=3 781 B14R1.32 CCOC(=O)CNc1cccc(c1)F 34a_100000210047_100000188475 [0,1,0,0,0,0|1,0,1]=3 782 B14R1.32 CCOC(=O)CNc1cccc(c1)I 34a_100000211102_100000188475 [0,1,0,0,0,0|1,0,1]=3 783 B14R1.32 CCOC(=O)CNc1cccc(c1)O 271570a_203496583355_200000219647 [0,1,0,0,0,0|1,0,1]=3 784 B14R1.32 CCOC(=O)CNc1cccc(c1)O 34a_100000210217_100000188475 [0,1,0,0,0,0|1,0,1]=3 785 B14R1.32 CCOC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000188475 [0,1,0,0,0,0|2,0,1]=4 786 B14R1.32 CCOC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000188475 [0,1,0,0,0,0|2,0,1]=4 787 B14R1.32 CCOC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000188475 [0,1,0,0,0,0|2,0,1]=4 788 B14R1.32 CCOC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000188475 [0,1,0,0,0,0|2,0,1]=4 789 B14R1.32 CCOC(=O)COc1cccc(c1)Br 34a_100000210342_100000188475 [0,1,0,0,0,0|1,0,1]=3 790 B14R1.32 CCOC(=O)COc1cccc(c1)Br 7a_100000210342_100000188475 [0,1,0,0,0,0|1,0,1]=3 791 B14R1.32 CCOC(=O)COc1cccc(c1)C 34a_100000210337_100000188475 [0,1,0,0,0,0|1,0,1]=3 792 B14R1.32 CCOC(=O)COc1cccc(c1)C 7a_100000210337_100000188475 [0,1,0,0,0,0|1,0,1]=3 793 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 34a_100000210295_100000188475 [0,1,0,0,0,0|1,0,1]=3 794 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 7a_100000210295_100000188475 [0,1,0,0,0,0|1,0,1]=3 795 B14R1.32 CCOC(=O)COc1cccc(c1)F 34a_100000210426_100000188475 [0,1,0,0,0,0|1,0,1]=3 796 B14R1.32 CCOC(=O)COc1cccc(c1)F 7a_100000210426_100000188475 [0,1,0,0,0,0|1,0,1]=3 797 B14R1.32 CCOC(=O)COc1cccc(c1)I 34a_100000211634_100000188475 [0,1,0,0,0,0|1,0,1]=3 798 B14R1.32 CCOC(=O)COc1cccc(c1)I 7a_100000211634_100000188475 [0,1,0,0,0,0|1,0,1]=3 799 B14R1.32 CCOC(=O)COc1cccc(c1)N 34a_100000210217_100000188475 [0,1,0,0,0,0|1,0,1]=3 800 B14R1.32 CCOC(=O)COc1cccc(c1)O 271570a_203496583355_100000170171 [0,1,0,0,0,0|1,0,1]=3 801 B14R1.32 CCOC(=O)COc1cccc(n1)F 34a_100011432558_100000188475 [0,1,0,0,0,0|2,0,1]=4 802 B14R1.32 CCOC(=O)COc1ccnc(c1)C 34a_100000688365_100000188475 [0,1,0,0,0,0|2,0,1]=4 803 B14R1.32 CCOC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000188475 [0,1,0,0,0,0|2,0,1]=4 804 B14R1.32 CCOC(=O)COc1ccnc(c1)F 34a_100000732698_100000188475 [0,1,0,0,0,0|2,0,1]=4 805 B14R1.32 CCOC(=O)COc1ccnc(c1)N 34a_100011834064_100000188475 [0,1,0,0,0,0|2,0,1]=4 806 B14R1.32 CCOC(=O)COc1cncc(c1)Br 34a_100000754920_100000188475 [0,1,0,0,0,0|2,0,1]=4 807 B14R1.32 CCOC(=O)COc1cncc(c1)Br 7a_100000754920_100000188475 [0,1,0,0,0,0|2,0,1]=4 808 B14R1.32 CCOC(=O)COc1cncc(c1)C 34a_100011830280_100000188475 [0,1,0,0,0,0|2,0,1]=4 809 B14R1.32 CCOC(=O)COc1cncc(c1)C 7a_100011830280_100000188475 [0,1,0,0,0,0|2,0,1]=4 810 B14R1.32 CCOC(=O)COc1cncc(c1)Cl 7a_100000032511_100000188475 [0,1,0,0,0,0|2,0,1]=4 811 B14R1.32 CCOC(=O)COc1cncc(c1)F 34a_100011830296_100000188475 [0,1,0,0,0,0|2,0,1]=4 812 B14R1.32 CCOC(=O)COc1cncc(c1)F 7a_100011830296_100000188475 [0,1,0,0,0,0|2,0,1]=4 813 B14R1.32 CCOC(=O)COc1cncc(c1)N 34a_100011997051_100000188475 [0,1,0,0,0,0|2,0,1]=4 814 B14R1.32 CCOC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000188475 [0,1,0,0,0,0|2,0,1]=4 815 B14R1.32 CCOC(=O)CSc1cc(ccn1)C 62a_100000188475_100000750283 [0,1,0,0,0,0|2,0,1]=4 816 B14R1.32 CCOC(=O)CSc1cc(ccn1)C 62a_100000750283_100000188475 [0,1,0,0,0,0|2,0,1]=4 817 B14R1.32 CCOC(=O)CSc1cc(ccn1)Cl 62a_100000188475_100010167805 [0,1,0,0,0,0|2,0,1]=4 818 B14R1.32 CCOC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000188475 [0,1,0,0,0,0|2,0,1]=4 819 B14R1.32 CCOC(=O)CSc1cc(ccn1)F 62a_100000188475_100000764206 [0,1,0,0,0,0|2,0,1]=4 820 B14R1.32 CCOC(=O)CSc1cc(ccn1)F 62a_100000764206_100000188475 [0,1,0,0,0,0|2,0,1]=4 821 B14R1.32 CCOC(=O)CSc1cc(ccn1)N 62a_100000188475_100009814236 [0,1,0,0,0,0|2,0,1]=4 822 B14R1.32 CCOC(=O)CSc1cc(ccn1)N 62a_100009814236_100000188475 [0,1,0,0,0,0|2,0,1]=4 823 B14R1.32 CCOC(=O)CSc1cc(ccn1)O 62a_100000188475_100000762945 [0,1,0,0,0,0|2,0,1]=4 824 B14R1.32 CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100000188475_100009816521 [0,1,0,0,0,0|2,0,1]=4 825 B14R1.32 CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000188475 [0,1,0,0,0,0|2,0,1]=4 826 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)C 62a_100000188475_100009996589 [0,1,0,0,0,0|2,0,1]=4 827 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000188475 [0,1,0,0,0,0|2,0,1]=4 828 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)[O-] 62a_100000188475_100009815978 [0,1,0,0,0,0|2,0,1]=4 829 B14R1.32 CCOC(=O)CSc1cccc(=O)[nH]1 62a_100000188475_100000752884 [0,1,0,0,0,0|2,0,1]=4 830 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000188475_100000691529 [0,1,0,0,0,0|1,0,1]=3 831 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000691529_100000188475 [0,1,0,0,0,0|1,0,1]=3 832 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100000188475_100011215228 [0,1,0,0,0,0|1,0,1]=3 833 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100011215228_100000188475 [0,1,0,0,0,0|1,0,1]=3 834 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000188475_100000699651 [0,1,0,0,0,0|1,0,1]=3 835 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000188475 [0,1,0,0,0,0|1,0,1]=3 836 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000188475_100000685547 [0,1,0,0,0,0|1,0,1]=3 837 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000685547_100000188475 [0,1,0,0,0,0|1,0,1]=3 838 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000188475_100000210019 [0,1,0,0,0,0|1,0,1]=3 839 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000210019_100000188475 [0,1,0,0,0,0|1,0,1]=3 840 B14R1.32 CCOC(=O)CSc1cccc(c1)O 62a_100000188475_100000211634 [0,1,0,0,0,0|1,0,1]=3 841 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_100000188475_114929384022 [0,1,0,0,0,0|1,0,1]=3 842 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000188475 [0,1,0,0,0,0|1,0,1]=3 843 B14R1.32 CCOC(=O)CSc1cccc(n1)Br 62a_100000188475_100000684672 [0,1,0,0,0,0|2,0,1]=4 844 B14R1.32 CCOC(=O)CSc1cccc(n1)Br 62a_100000684672_100000188475 [0,1,0,0,0,0|2,0,1]=4 845 B14R1.32 CCOC(=O)CSc1cccc(n1)C 62a_100000188475_100000742759 [0,1,0,0,0,0|2,0,1]=4 846 B14R1.32 CCOC(=O)CSc1cccc(n1)C 62a_100000742759_100000188475 [0,1,0,0,0,0|2,0,1]=4 847 B14R1.32 CCOC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000188475 [0,1,0,0,0,0|2,0,1]=4 848 B14R1.32 CCOC(=O)CSc1cccc(n1)Cl 62a_100000188475_100000051397 [0,1,0,0,0,0|2,0,1]=4 849 B14R1.32 CCOC(=O)CSc1cccc(n1)F 62a_100000188475_100009815982 [0,1,0,0,0,0|2,0,1]=4 850 B14R1.32 CCOC(=O)CSc1cccc(n1)F 62a_100009815982_100000188475 [0,1,0,0,0,0|2,0,1]=4 851 B14R1.32 CCOC(=O)CSc1cccc(n1)N 62a_100000188475_100000740741 [0,1,0,0,0,0|2,0,1]=4 852 B14R1.32 CCOC(=O)CSc1cccc(n1)N 62a_100000740741_100000188475 [0,1,0,0,0,0|2,0,1]=4 853 B14R1.32 CCOC(=O)CSc1ccnc(c1)Br 62a_100000188475_100009814637 [0,1,0,0,0,0|2,0,1]=4 854 B14R1.32 CCOC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000188475 [0,1,0,0,0,0|2,0,1]=4 855 B14R1.32 CCOC(=O)CSc1ccnc(c1)C 62a_100000188475_100000758586 [0,1,0,0,0,0|2,0,1]=4 856 B14R1.32 CCOC(=O)CSc1ccnc(c1)C 62a_100000758586_100000188475 [0,1,0,0,0,0|2,0,1]=4 857 B14R1.32 CCOC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000188475 [0,1,0,0,0,0|2,0,1]=4 858 B14R1.32 CCOC(=O)CSc1ccnc(c1)Cl 62a_100000188475_100000035001 [0,1,0,0,0,0|2,0,1]=4 859 B14R1.32 CCOC(=O)CSc1ccnc(c1)F 62a_100000188475_100009816116 [0,1,0,0,0,0|2,0,1]=4 860 B14R1.32 CCOC(=O)CSc1ccnc(c1)F 62a_100009816116_100000188475 [0,1,0,0,0,0|2,0,1]=4 861 B14R1.32 CCOC(=O)CSc1ccnc(c1)N 62a_100000049665_100000188475 [0,1,0,0,0,0|2,0,1]=4 862 B14R1.32 CCOC(=O)CSc1ccnc(c1)N 62a_100000188475_100000049665 [0,1,0,0,0,0|2,0,1]=4 863 B14R1.32 CCOC(=O)CSc1cncc(c1)Br 62a_100000188475_100000728054 [0,1,0,0,0,0|2,0,1]=4 864 B14R1.32 CCOC(=O)CSc1cncc(c1)Br 62a_100000728054_100000188475 [0,1,0,0,0,0|2,0,1]=4 865 B14R1.32 CCOC(=O)CSc1cncc(c1)C 62a_100000188475_100000760492 [0,1,0,0,0,0|2,0,1]=4 866 B14R1.32 CCOC(=O)CSc1cncc(c1)C 62a_100000760492_100000188475 [0,1,0,0,0,0|2,0,1]=4 867 B14R1.32 CCOC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000188475 [0,1,0,0,0,0|2,0,1]=4 868 B14R1.32 CCOC(=O)CSc1cncc(c1)Cl 62a_100000188475_100000049639 [0,1,0,0,0,0|2,0,1]=4 869 B14R1.32 CCOC(=O)CSc1cncc(c1)F 62a_100000188475_100000744099 [0,1,0,0,0,0|2,0,1]=4 870 B14R1.32 CCOC(=O)CSc1cncc(c1)F 62a_100000744099_100000188475 [0,1,0,0,0,0|2,0,1]=4 871 B14R1.32 CCOC(=O)CSc1cncc(c1)N 62a_100000188475_100000687067 [0,1,0,0,0,0|2,0,1]=4 872 B14R1.32 CCOC(=O)CSc1cncc(c1)N 62a_100000687067_100000188475 [0,1,0,0,0,0|2,0,1]=4 873 B14R1.32 CCOC(=O)CSc1cncc(c1)O 62a_100000188475_100000754920 [0,1,0,0,0,0|2,0,1]=4 874 B14R1.32 CCOC(=O)CSc1cncc(c1)O 62a_100000754920_100000188475 [0,1,0,0,0,0|2,0,1]=4 875 B14R1.32 CNNC(=O)C=Cc1cccc(c1)Br 22a_100016993582_100016258244 [0,1,0,0,0,0|2,0,0]=3 876 B14R1.32 CNNC(=O)C=Cc1cccc(c1)C 22a_100016993582_100000690095 [0,1,0,0,0,0|2,0,0]=3 877 B14R1.32 CNNC(=O)C=Cc1cccc(c1)Cl 22a_100016993582_100000184502 [0,1,0,0,0,0|2,0,0]=3 878 B14R1.32 CNNC(=O)C=Cc1cccc(c1)F 22a_100016993582_100000718793 [0,1,0,0,0,0|2,0,0]=3 879 B14R1.32 CNNC(=O)C=Cc1cccc(c1)I 22a_100016993582_100020647043 [0,1,0,0,0,0|2,0,0]=3 880 B14R1.32 CNNC(=O)C=Cc1cccc(c1)O 22a_100016993582_100102525460 [0,1,0,0,0,0|2,0,0]=3 881 B14R1.32 COCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211753 [0,1,0,0,0,0|2,0,0]=3 882 B14R1.32 COCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211753 [0,1,0,0,0,0|2,0,0]=3 883 B14R1.32 COCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211753 [0,1,0,0,0,0|2,0,0]=3 884 B14R1.32 COCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000211753 [0,1,0,0,0,0|3,0,0]=4 885 B14R1.32 COCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211753 [0,1,0,0,0,0|3,0,0]=4 886 B14R1.32 COCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000211753 [0,1,0,0,0,0|3,0,0]=4 887 B14R1.32 COCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000211753 [0,1,0,0,0,0|3,0,0]=4 888 B14R1.32 CSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011216314 [0,1,0,0,0,0|2,0,0]=3 889 B14R1.32 CSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011216314 [0,1,0,0,0,0|2,0,0]=3 890 B14R1.32 CSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011216314 [0,1,0,0,0,0|2,0,0]=3 891 B14R1.32 CSCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011216314 [0,1,0,0,0,0|3,0,0]=4 892 B14R1.32 CSCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011216314 [0,1,0,0,0,0|3,0,0]=4 893 B14R1.32 CSCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011216314 [0,1,0,0,0,0|3,0,0]=4 894 B14R1.32 CSCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011216314 [0,1,0,0,0,0|3,0,0]=4 895 B14R1.32 Cc1cccc(c1)C=CC(=O)CC#N 1458a_100000690095_100011214920 [0,1,0,0,0,0|2,0,1]=4 896 B14R1.32 Cc1cccc(c1)C=CC(=O)CCF 1458a_100000690095_100011217306 [0,1,0,0,0,0|2,0,0]=3 897 B14R1.32 Cc1cccc(c1)C=CC(=O)CCO 1458a_100000690095_100000211926 [0,1,0,0,0,0|2,0,0]=3 898 B14R1.32 Cc1cncc(c1)C=CC(=O)CCBr 6a_100011998712_100011261029 [0,1,0,0,0,0|3,0,0]=4 899 B14R1.32 Cc1cncc(c1)C=CC(=O)CCCl 6a_100011998712_100000053229 [0,1,0,0,0,0|3,0,0]=4 900 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011214920 [0,1,0,0,0,0|2,0,1]=4 901 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000184835 [0,1,0,0,0,0|2,0,1]=4 902 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011214920 [0,1,0,0,0,0|2,0,1]=4 903 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011214920 [0,1,0,0,0,0|2,0,1]=4 904 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000184835 [0,1,0,0,0,0|2,0,1]=4 905 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011214920 [0,1,0,0,0,0|2,0,1]=4 906 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000184835 [0,1,0,0,0,0|2,0,1]=4 907 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCBr 6a_100000210085_100011261029 [0,1,0,0,0,0|2,0,0]=3 908 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCCl 6a_100000210085_100000053229 [0,1,0,0,0,0|2,0,0]=3 909 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCF 1458a_100016258244_100011217306 [0,1,0,0,0,0|2,0,0]=3 910 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCO 1458a_100016258244_100000211926 [0,1,0,0,0,0|2,0,0]=3 911 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCF 1458a_100000184502_100011217306 [0,1,0,0,0,0|2,0,0]=3 912 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCO 1458a_100000184502_100000211926 [0,1,0,0,0,0|2,0,0]=3 913 B14R1.32 O=C(C=Cc1cccc(c1)F)CCBr 6a_100000210812_100011261029 [0,1,0,0,0,0|2,0,0]=3 914 B14R1.32 O=C(C=Cc1cccc(c1)F)CCCl 6a_100000210812_100000053229 [0,1,0,0,0,0|2,0,0]=3 915 B14R1.32 O=C(C=Cc1cccc(c1)F)CCF 1458a_100000718793_100011217306 [0,1,0,0,0,0|2,0,0]=3 916 B14R1.32 O=C(C=Cc1cccc(c1)F)CCO 1458a_100000718793_100000211926 [0,1,0,0,0,0|2,0,0]=3 917 B14R1.32 O=C(C=Cc1cccc(c1)I)CCBr 6a_100000014684_100011261029 [0,1,0,0,0,0|2,0,0]=3 918 B14R1.32 O=C(C=Cc1cccc(c1)I)CCCl 6a_100000014684_100000053229 [0,1,0,0,0,0|2,0,0]=3 919 B14R1.32 O=C(C=Cc1cccc(c1)I)CCF 1458a_100020647043_100011217306 [0,1,0,0,0,0|2,0,0]=3 920 B14R1.32 O=C(C=Cc1cccc(c1)I)CCO 1458a_100020647043_100000211926 [0,1,0,0,0,0|2,0,0]=3 921 B14R1.32 O=C(C=Cc1cncc(c1)Br)CCBr 6a_100000687066_100011261029 [0,1,0,0,0,0|3,0,0]=4 922 B14R1.32 O=C(C=Cc1cncc(c1)Br)CCCl 6a_100000687066_100000053229 [0,1,0,0,0,0|3,0,0]=4 923 B14R1.32 O=C(C=Cc1cncc(c1)Cl)CCBr 6a_100000088910_100011261029 [0,1,0,0,0,0|3,0,0]=4 924 B14R1.32 O=C(C=Cc1cncc(c1)Cl)CCCl 6a_100000088910_100000053229 [0,1,0,0,0,0|3,0,0]=4 925 B14R1.32 O=C(C=Cc1cncc(c1)F)CCBr 6a_100011361476_100011261029 [0,1,0,0,0,0|3,0,0]=4 926 B14R1.32 O=C(C=Cc1cncc(c1)F)CCCl 6a_100011361476_100000053229 [0,1,0,0,0,0|3,0,0]=4 927 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000184674 [0,1,0,0,0,0|1,0,2]=4 928 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000184674 [0,1,0,0,0,0|1,0,2]=4 929 B14R1.60 C#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000184674 [0,1,0,0,0,0|1,0,2]=4 930 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CC#N 1458a_100016990649_100011214920 [0,1,0,0,0,0|2,0,1]=4 931 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCF 1458a_100016990649_100011217306 [0,1,0,0,0,0|2,0,0]=3 932 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCO 1458a_100016990649_100000211926 [0,1,0,0,0,0|2,0,0]=3 933 B14R1.60 C/C(=C\c1ccccn1)/C(=O)CCF 1458a_100025712827_100011217306 [0,1,0,0,0,0|3,0,0]=4 934 B14R1.60 C/C(=C\c1ccccn1)/C(=O)CCO 1458a_100025712827_100000211926 [0,1,0,0,0,0|3,0,0]=4 935 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC 11a_100015525214_100000066491 [0,1,0,0,0,0|1,0,1]=3 936 B14R1.60 C=C(Cc1ccccc1)C(=O)NNC 22a_100016993582_100000066491 [0,1,0,0,0,0|2,0,1]=4 937 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210623 [0,1,0,0,0,0|1,0,2]=4 938 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210623 [0,1,0,0,0,0|1,0,2]=4 939 B14R1.60 C=CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210623 [0,1,0,0,0,0|1,0,2]=4 940 B14R1.60 CC/C=C(\C)/C(=O)Cc1ccccc1 1458a_100016988807_100015291786 [0,1,0,0,0,0|2,0,1]=4 941 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100016988807 [0,1,0,0,0,0|3,0,0]=4 942 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100016988807 [0,1,0,0,0,0|3,0,0]=4 943 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100016988807 [0,1,0,0,0,0|3,0,0]=4 944 B14R1.60 CC/C=C(\C)/C(=O)Nc1ccccc1 527a_100000106764_100016988807 [0,1,0,0,0,0|3,0,0]=4 945 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210303 [0,1,0,0,0,0|1,0,0]=2 946 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210303 [0,1,0,0,0,0|1,0,0]=2 947 B14R1.60 CCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210303 [0,1,0,0,0,0|2,0,0]=3 948 B14R1.60 CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210303 [0,1,0,0,0,0|1,0,0]=2 949 B14R1.60 CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210303 [0,1,0,0,0,0|2,0,0]=3 950 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210303 [0,1,0,0,0,0|2,0,0]=3 951 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [0,1,0,0,0,0|1,0,2]=4 952 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [0,1,0,0,0,0|1,0,2]=4 953 B14R1.60 CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210303 [0,1,0,0,0,0|2,0,1]=4 954 B14R1.60 CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210303 [0,1,0,0,0,0|2,0,1]=4 955 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000211992 [0,1,0,0,0,0|2,0,1]=4 956 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000211992 [0,1,0,0,0,0|2,0,1]=4 957 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000211992 [0,1,0,0,0,0|2,0,1]=4 958 B14R1.60 CCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000211992 [0,1,0,0,0,0|2,0,1]=4 959 B14R1.60 CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210303 [0,1,0,0,0,0|1,0,2]=4 960 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 11a_100015525214_100016990649 [0,1,0,0,0,0|1,0,0]=2 961 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 527a_100015525214_100016990649 [0,1,0,0,0,0|1,0,0]=2 962 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015525214_200020598536 [0,1,0,0,0,0|1,0,0]=2 963 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015525214_200020598536 [0,1,0,0,0,0|1,0,0]=2 964 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015525214_200020598536 [0,1,0,0,0,0|1,0,0]=2 965 B14R1.60 CCNC(=O)/C(=C/c1ccccn1)/C 11a_100015525214_100025712827 [0,1,0,0,0,0|2,0,0]=3 966 B14R1.60 CCNC(=O)/C(=C/c1ccccn1)/C 527a_100015525214_100025712827 [0,1,0,0,0,0|2,0,0]=3 967 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 11a_100015525214_100020889036 [0,1,0,0,0,0|1,0,0]=2 968 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 527a_100015525214_100020889036 [0,1,0,0,0,0|1,0,0]=2 969 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 11a_100015525214_100000731744 [0,1,0,0,0,0|2,0,0]=3 970 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 240690a_100015525214_100000731744 [0,1,0,0,0,0|2,0,0]=3 971 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 527a_100015525214_100000731744 [0,1,0,0,0,0|2,0,0]=3 972 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 1458a_200011297158_100015291786 [0,1,0,0,0,0|1,0,1]=3 973 B14R1.60 CCNC(=O)C(=O)Cc1ccccn1 1458a_200011297158_100000721315 [0,1,0,0,0,0|2,0,1]=4 974 B14R1.60 CCNC(=O)C(=O)Cc1cccnc1 1458a_200011297158_100000733263 [0,1,0,0,0,0|2,0,1]=4 975 B14R1.60 CCNC(=O)C(=O)Cc1ccncc1 1458a_200011297158_100000705612 [0,1,0,0,0,0|2,0,1]=4 976 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297158 [0,1,0,0,0,0|2,0,0]=3 977 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297158 [0,1,0,0,0,0|2,0,0]=3 978 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 240690a_100015525214_100000738435 [0,1,0,0,0,0|2,0,0]=3 979 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297158 [0,1,0,0,0,0|2,0,0]=3 980 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [0,1,0,0,0,0|1,0,2]=4 981 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [0,1,0,0,0,0|1,0,2]=4 982 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [0,1,0,0,0,0|1,0,2]=4 983 B14R1.60 CCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000230173 [0,1,0,0,0,0|2,0,1]=4 984 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 11a_100015525214_100000188414 [0,1,0,0,0,0|2,0,1]=4 985 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 240690a_100015525214_100000188414 [0,1,0,0,0,0|2,0,1]=4 986 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000230173 [0,1,0,0,0,0|2,0,1]=4 987 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 527a_100015525214_100000188414 [0,1,0,0,0,0|2,0,1]=4 988 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230173 [0,1,0,0,0,0|2,0,1]=4 989 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 11a_100015525214_100000199063 [0,1,0,0,0,0|2,0,1]=4 990 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 240690a_100015525214_100000199063 [0,1,0,0,0,0|2,0,1]=4 991 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 527a_100015525214_100000199063 [0,1,0,0,0,0|2,0,1]=4 992 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000230173_100000041952 [0,1,0,0,0,0|2,0,1]=4 993 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230173 [0,1,0,0,0,0|2,0,1]=4 994 B14R1.60 CCNC(=O)N(C)Cc1ccccc1 2708a_100015525214_100000186898 [0,1,0,0,0,0|2,0,1]=4 995 B14R1.60 CCNC(=O)N(C)Cc1ccccc1 273464a_100015525214_100000186898 [0,1,0,0,0,0|2,0,1]=4 996 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [0,1,0,0,0,0|1,0,2]=4 997 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [0,1,0,0,0,0|1,0,0]=2 998 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [0,1,0,0,0,0|1,0,0]=2 999 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100011216346 [0,1,0,0,0,0|1,0,1]=3 1000 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100011216346 [0,1,0,0,0,0|1,0,1]=3 1001 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100011216346 [0,1,0,0,0,0|1,0,1]=3 1002 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 34a_100000210849_100011216346 [0,1,0,0,0,0|2,0,1]=4 1003 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 7a_100000210849_100011216346 [0,1,0,0,0,0|2,0,1]=4 1004 B14R1.60 CCOC(=O)C(C)Oc1ccncc1 34a_100000212176_100011216346 [0,1,0,0,0,0|2,0,1]=4 1005 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100011216346 [0,1,0,0,0,0|1,0,1]=3 1006 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100011216346_100000041952 [0,1,0,0,0,0|1,0,1]=3 1007 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216346_100011216584 [0,1,0,0,0,0|2,0,1]=4 1008 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216584_100011216346 [0,1,0,0,0,0|2,0,1]=4 1009 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100000210063_100011216346 [0,1,0,0,0,0|2,0,1]=4 1010 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100011216346_100000210063 [0,1,0,0,0,0|2,0,1]=4 1011 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100000728582_100011216346 [0,1,0,0,0,0|2,0,1]=4 1012 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100011216346_100000728582 [0,1,0,0,0,0|2,0,1]=4 1013 B14R1.60 CCOC(=O)C(F)Nc1ccccc1 34a_100000106764_100000760018 [0,1,0,0,0,0|1,0,1]=3 1014 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 34a_100000210340_100000760018 [0,1,0,0,0,0|1,0,1]=3 1015 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 7a_100000210340_100000040065 [0,1,0,0,0,0|1,0,1]=3 1016 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 34a_100000210849_100000760018 [0,1,0,0,0,0|2,0,1]=4 1017 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 7a_100000210849_100000040065 [0,1,0,0,0,0|2,0,1]=4 1018 B14R1.60 CCOC(=O)C(F)Oc1ccncc1 34a_100000212176_100000760018 [0,1,0,0,0,0|2,0,1]=4 1019 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000719477_100000760018 [0,1,0,0,0,0|1,0,1]=3 1020 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000760018_100000041952 [0,1,0,0,0,0|1,0,1]=3 1021 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100000760018_100011216584 [0,1,0,0,0,0|2,0,1]=4 1022 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100011216584_100000760018 [0,1,0,0,0,0|2,0,1]=4 1023 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000210063_100000760018 [0,1,0,0,0,0|2,0,1]=4 1024 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000760018_100000210063 [0,1,0,0,0,0|2,0,1]=4 1025 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000728582_100000760018 [0,1,0,0,0,0|2,0,1]=4 1026 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000760018_100000728582 [0,1,0,0,0,0|2,0,1]=4 1027 B14R1.60 CCOC(C)C(=O)Cc1ccccc1 1458a_100000739345_100015291786 [0,1,0,0,0,0|1,0,2]=4 1028 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 11a_100000106764_100000739345 [0,1,0,0,0,0|2,0,1]=4 1029 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000739345 [0,1,0,0,0,0|2,0,1]=4 1030 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 22a_100000106764_100000739345 [0,1,0,0,0,0|2,0,1]=4 1031 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 34a_100121572206_100000183986 [0,1,0,0,0,0|2,0,1]=4 1032 B14R1.60 CCOC(C)C(=O)Nc1ccccc1 527a_100000106764_100000739345 [0,1,0,0,0,0|2,0,1]=4 1033 B14R1.60 CNNC(=O)/C(=C/c1ccccc1)/C 22a_100016993582_100016990649 [0,1,0,0,0,0|2,0,0]=3 1034 B14R1.60 CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100016993582_200020598536 [0,1,0,0,0,0|2,0,0]=3 1035 B14R1.60 CNNC(=O)/C(=C/c1ccccn1)/C 22a_100016993582_100025712827 [0,1,0,0,0,0|3,0,0]=4 1036 B14R1.60 CNNC(=O)/C(=C\c1ccccc1)/F 22a_100016993582_100020889036 [0,1,0,0,0,0|2,0,0]=3 1037 B14R1.60 CNNC(=O)C(=Cc1cccnc1)F 22a_100016993582_100000731744 [0,1,0,0,0,0|3,0,0]=4 1038 B14R1.60 CNNC(=O)C(=O)Nc1ccccc1 22a_100016993582_100000738435 [0,1,0,0,0,0|3,0,0]=4 1039 B14R1.60 N#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011214920 [0,1,0,0,0,0|2,0,1]=4 1040 B14R1.60 N#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011214920 [0,1,0,0,0,0|2,0,1]=4 1041 B14R1.60 O=C(CCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011217306 [0,1,0,0,0,0|2,0,0]=3 1042 B14R1.60 O=C(CCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011217306 [0,1,0,0,0,0|2,0,0]=3 1043 B14R1.60 O=C(CCF)C(=Cc1cccnc1)F 1458a_100000731744_100011217306 [0,1,0,0,0,0|3,0,0]=4 1044 B14R1.60 O=C(CCF)C(=O)Nc1ccccc1 1458a_100000738435_100011217306 [0,1,0,0,0,0|3,0,0]=4 1045 B14R1.60 O=C(CCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211926 [0,1,0,0,0,0|2,0,0]=3 1046 B14R1.60 O=C(CCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211926 [0,1,0,0,0,0|2,0,0]=3 1047 B14R1.60 O=C(CCO)C(=Cc1cccnc1)F 1458a_100000731744_100000211926 [0,1,0,0,0,0|3,0,0]=4 1048 B14R1.60 O=C(CCO)C(=O)Nc1ccccc1 1458a_100000738435_100000211926 [0,1,0,0,0,0|3,0,0]=4 1049 B14R1.156 C#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000753159 [0,1,0,0,0,0|1,0,1]=3 1050 B14R1.156 C#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000753159 [0,1,0,0,0,0|2,0,1]=4 1051 B14R1.156 C#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000753159 [0,1,0,0,0,0|2,0,1]=4 1052 B14R1.156 C#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000753159 [0,1,0,0,0,0|2,0,1]=4 1053 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 11a_100000212058_100000210462 [0,1,0,0,0,0|1,0,1]=3 1054 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 1626a_100000212058_100000210462 [0,1,0,0,0,0|1,0,1]=3 1055 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 11a_100000212058_100000740811 [0,1,0,0,0,0|2,0,1]=4 1056 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 240690a_100000212058_100000740811 [0,1,0,0,0,0|2,0,1]=4 1057 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 11a_100000212058_100000735890 [0,1,0,0,0,0|2,0,1]=4 1058 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 240690a_100000212058_100000735890 [0,1,0,0,0,0|2,0,1]=4 1059 B14R1.156 C#CCNC(=O)C=Cc1ccncc1 240690a_100000212058_100000682801 [0,1,0,0,0,0|2,0,1]=4 1060 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [0,1,0,0,0,0|1,0,1]=3 1061 B14R1.156 C/C=C/CC(=O)C=Cc1ccccn1 1458a_100000740811_100102629194 [0,1,0,0,0,0|2,0,1]=4 1062 B14R1.156 C/C=C/CC(=O)C=Cc1cccnc1 1458a_100000735890_100102629194 [0,1,0,0,0,0|2,0,1]=4 1063 B14R1.156 C/C=C/CC(=O)C=Cc1ccncc1 1458a_100000682801_100102629194 [0,1,0,0,0,0|2,0,1]=4 1064 B14R1.156 C=C(CNc1ccccc1)OCOC 34a_100000106764_100000042856 [0,1,0,0,0,0|2,0,1]=4 1065 B14R1.156 C=C(COc1ccccc1)OCOC 34a_100000210340_100000042856 [0,1,0,0,0,0|2,0,1]=4 1066 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000042856_100000041952 [0,1,0,0,0,0|2,0,1]=4 1067 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000719477_100000042856 [0,1,0,0,0,0|2,0,1]=4 1068 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [0,1,0,0,0,0|1,0,1]=3 1069 B14R1.156 C=CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000754431 [0,1,0,0,0,0|2,0,1]=4 1070 B14R1.156 C=CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000754431 [0,1,0,0,0,0|2,0,1]=4 1071 B14R1.156 C=CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000754431 [0,1,0,0,0,0|2,0,1]=4 1072 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 1626a_100020586998_100000210462 [0,1,0,0,0,0|1,0,1]=3 1073 B14R1.156 C=CCNC(=O)C=Cc1ccccn1 240690a_100020586998_100000740811 [0,1,0,0,0,0|2,0,1]=4 1074 B14R1.156 C=CCNC(=O)C=Cc1cccnc1 240690a_100020586998_100000735890 [0,1,0,0,0,0|2,0,1]=4 1075 B14R1.156 C=CCNC(=O)C=Cc1ccncc1 240690a_100020586998_100000682801 [0,1,0,0,0,0|2,0,1]=4 1076 B14R1.156 C=CCOC(=O)CNc1ccccc1 34a_100000106764_100000033060 [0,1,0,0,0,0|1,0,2]=4 1077 B14R1.156 C=CCOC(=O)COc1ccccc1 34a_100000210340_100000033060 [0,1,0,0,0,0|1,0,2]=4 1078 B14R1.156 C=CCOC(=O)COc1ccccc1 7a_100000210340_100000033060 [0,1,0,0,0,0|1,0,2]=4 1079 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000033060_100000041952 [0,1,0,0,0,0|1,0,2]=4 1080 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000719477_100000033060 [0,1,0,0,0,0|1,0,2]=4 1081 B14R1.156 CC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000748600 [0,1,0,0,0,0|1,0,1]=3 1082 B14R1.156 CC#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000748600 [0,1,0,0,0,0|2,0,1]=4 1083 B14R1.156 CC#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000748600 [0,1,0,0,0,0|2,0,1]=4 1084 B14R1.156 CC#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000748600 [0,1,0,0,0,0|2,0,1]=4 1085 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [0,1,0,0,0,0|1,0,1]=3 1086 B14R1.156 CC=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000070051 [0,1,0,0,0,0|2,0,1]=4 1087 B14R1.156 CC=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000070051 [0,1,0,0,0,0|2,0,1]=4 1088 B14R1.156 CC=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000070051 [0,1,0,0,0,0|2,0,1]=4 1089 B14R1.156 CCC#CC(=O)CCc1ccccc1 1458a_100011827653_100000765856 [0,1,0,0,0,0|1,0,2]=4 1090 B14R1.156 CCC#CC(=O)NNc1ccccc1 22a_100015195140_100011827653 [0,1,0,0,0,0|3,0,0]=4 1091 B14R1.156 CCC=CC(=O)CCc1ccccc1 1458a_100000212282_100000765856 [0,1,0,0,0,0|1,0,2]=4 1092 B14R1.156 CCC=CC(=O)NCc1ccccc1 11a_100015324214_100000212282 [0,1,0,0,0,0|2,0,1]=4 1093 B14R1.156 CCC=CC(=O)NCc1ccccc1 1626a_100015324214_100000212282 [0,1,0,0,0,0|2,0,1]=4 1094 B14R1.156 CCC=CC(=O)NCc1ccccc1 240690a_100015324214_100000212282 [0,1,0,0,0,0|2,0,1]=4 1095 B14R1.156 CCC=CC(=O)NNc1ccccc1 22a_100015195140_100000212282 [0,1,0,0,0,0|3,0,0]=4 1096 B14R1.156 CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210211 [0,1,0,0,0,0|1,0,2]=4 1097 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [0,1,0,0,0,0|1,0,0]=2 1098 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [0,1,0,0,0,0|2,0,0]=3 1099 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [0,1,0,0,0,0|2,0,0]=3 1100 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [0,1,0,0,0,0|2,0,0]=3 1101 B14R1.156 CCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000032102 [0,1,0,0,0,0|3,0,0]=4 1102 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [0,1,0,0,0,0|1,0,2]=4 1103 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [0,1,0,0,0,0|1,0,2]=4 1104 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [0,1,0,0,0,0|2,0,1]=4 1105 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [0,1,0,0,0,0|2,0,1]=4 1106 B14R1.156 CCCCC(=O)NCc1ccccc1 11a_100015324214_100000210183 [0,1,0,0,0,0|2,0,1]=4 1107 B14R1.156 CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000210183 [0,1,0,0,0,0|2,0,1]=4 1108 B14R1.156 CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000210183 [0,1,0,0,0,0|2,0,1]=4 1109 B14R1.156 CCCCC(=O)NCc1ccccc1 527a_100015324214_100000210183 [0,1,0,0,0,0|2,0,1]=4 1110 B14R1.156 CCCCC(=O)NNc1ccccc1 22a_100015195140_100000210183 [0,1,0,0,0,0|3,0,0]=4 1111 B14R1.156 CCCNC(=O)C#Cc1ccccc1 240690a_100020643023_100000736102 [0,1,0,0,0,0|1,0,2]=4 1112 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [0,1,0,0,0,0|1,0,0]=2 1113 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [0,1,0,0,0,0|1,0,0]=2 1114 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [0,1,0,0,0,0|2,0,0]=3 1115 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [0,1,0,0,0,0|2,0,0]=3 1116 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [0,1,0,0,0,0|2,0,0]=3 1117 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [0,1,0,0,0,0|2,0,0]=3 1118 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [0,1,0,0,0,0|2,0,0]=3 1119 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [0,1,0,0,0,0|1,0,2]=4 1120 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [0,1,0,0,0,0|1,0,2]=4 1121 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [0,1,0,0,0,0|1,0,2]=4 1122 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [0,1,0,0,0,0|1,0,2]=4 1123 B14R1.156 CCCNC(=O)CNc1ccccc1 34a_100000106764_100000183358 [0,1,0,0,0,0|2,0,1]=4 1124 B14R1.156 CCCNC(=O)COc1ccccc1 11a_100020643023_100000186222 [0,1,0,0,0,0|2,0,1]=4 1125 B14R1.156 CCCNC(=O)COc1ccccc1 1626a_100020643023_100000186222 [0,1,0,0,0,0|2,0,1]=4 1126 B14R1.156 CCCNC(=O)COc1ccccc1 240690a_100020643023_100000186222 [0,1,0,0,0,0|2,0,1]=4 1127 B14R1.156 CCCNC(=O)COc1ccccc1 34a_100000210340_100000183358 [0,1,0,0,0,0|2,0,1]=4 1128 B14R1.156 CCCNC(=O)COc1ccccc1 527a_100020643023_100000186222 [0,1,0,0,0,0|2,0,1]=4 1129 B14R1.156 CCCNC(=O)COc1ccccc1 7a_100000210340_100000183358 [0,1,0,0,0,0|2,0,1]=4 1130 B14R1.156 CCCNC(=O)CSc1ccccc1 11a_100020643023_100000211596 [0,1,0,0,0,0|2,0,1]=4 1131 B14R1.156 CCCNC(=O)CSc1ccccc1 1626a_100020643023_100000211596 [0,1,0,0,0,0|2,0,1]=4 1132 B14R1.156 CCCNC(=O)CSc1ccccc1 240690a_100020643023_100000211596 [0,1,0,0,0,0|2,0,1]=4 1133 B14R1.156 CCCNC(=O)CSc1ccccc1 527a_100020643023_100000211596 [0,1,0,0,0,0|2,0,1]=4 1134 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000183358_100000041952 [0,1,0,0,0,0|2,0,1]=4 1135 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000719477_100000183358 [0,1,0,0,0,0|2,0,1]=4 1136 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100015324214_100020643023 [0,1,0,0,0,0|2,0,1]=4 1137 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100020643023_100015324214 [0,1,0,0,0,0|2,0,1]=4 1138 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100015324214_100020643023 [0,1,0,0,0,0|2,0,1]=4 1139 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100020643023_100015324214 [0,1,0,0,0,0|2,0,1]=4 1140 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100015324214_100020643023 [0,1,0,0,0,0|2,0,1]=4 1141 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100020643023_100015324214 [0,1,0,0,0,0|2,0,1]=4 1142 B14R1.156 CCCNC(=O)NNc1ccccc1 273464a_100020643023_100015195140 [0,1,0,0,0,0|3,0,0]=4 1143 B14R1.156 CCCNC(=O)NNc1ccccc1 512a_100020643023_100015195140 [0,1,0,0,0,0|3,0,0]=4 1144 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [0,1,0,0,0,0|1,0,1]=3 1145 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [0,1,0,0,0,0|1,0,1]=3 1146 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [0,1,0,0,0,0|1,0,1]=3 1147 B14R1.156 CCCOC(=O)COc1cccnc1 34a_100000210849_200011215008 [0,1,0,0,0,0|2,0,1]=4 1148 B14R1.156 CCCOC(=O)COc1cccnc1 7a_100000210849_200011215008 [0,1,0,0,0,0|2,0,1]=4 1149 B14R1.156 CCCOC(=O)COc1ccncc1 34a_100000212176_200011215008 [0,1,0,0,0,0|2,0,1]=4 1150 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [0,1,0,0,0,0|1,0,1]=3 1151 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [0,1,0,0,0,0|1,0,1]=3 1152 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_100011216584_200011215008 [0,1,0,0,0,0|2,0,1]=4 1153 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_200011215008_100011216584 [0,1,0,0,0,0|2,0,1]=4 1154 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_100000210063_200011215008 [0,1,0,0,0,0|2,0,1]=4 1155 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_200011215008_100000210063 [0,1,0,0,0,0|2,0,1]=4 1156 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_100000728582_200011215008 [0,1,0,0,0,0|2,0,1]=4 1157 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_200011215008_100000728582 [0,1,0,0,0,0|2,0,1]=4 1158 B14R1.156 CCNCC(=O)CCc1ccccc1 2230a_100015525214_100012361361 [0,1,0,0,0,0|1,0,2]=4 1159 B14R1.156 CCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210202 [0,1,0,0,0,0|2,0,1]=4 1160 B14R1.156 CCNCC(=O)NCc1ccccc1 2230a_100015525214_100000183539 [0,1,0,0,0,0|2,0,1]=4 1161 B14R1.156 CCNCC(=O)OCc1ccccc1 2230a_100015525214_100000753625 [0,1,0,0,0,0|2,0,1]=4 1162 B14R1.156 CCNN=C(C)C=Cc1ccccc1 4a_100000756455_100000204604 [0,1,0,0,0,0|2,0,0]=3 1163 B14R1.156 CCNN=C(C)C=Cc1ccccn1 4a_100000756455_100102710650 [0,1,0,0,0,0|3,0,0]=4 1164 B14R1.156 CCNNC(=O)C#Cc1ccccc1 22a_100000756455_100000736102 [0,1,0,0,0,0|1,0,2]=4 1165 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [0,1,0,0,0,0|1,0,0]=2 1166 B14R1.156 CCNNC(=O)C=Cc1ccccn1 22a_100000756455_100000740811 [0,1,0,0,0,0|2,0,0]=3 1167 B14R1.156 CCNNC(=O)C=Cc1cccnc1 22a_100000756455_100000735890 [0,1,0,0,0,0|2,0,0]=3 1168 B14R1.156 CCNNC(=O)C=Cc1ccncc1 22a_100000756455_100000682801 [0,1,0,0,0,0|2,0,0]=3 1169 B14R1.156 CCNNC(=O)CCc1ccccc1 22a_100000756455_100000185753 [0,1,0,0,0,0|1,0,2]=4 1170 B14R1.156 CCNNC(=O)COc1ccccc1 22a_100000756455_100000186222 [0,1,0,0,0,0|2,0,1]=4 1171 B14R1.156 CCNNC(=O)CSc1ccccc1 22a_100000756455_100000211596 [0,1,0,0,0,0|2,0,1]=4 1172 B14R1.156 CCNNC(=O)NCc1ccccc1 273464a_100015324214_100000756455 [0,1,0,0,0,0|2,0,1]=4 1173 B14R1.156 CCNNC(=O)NCc1ccccc1 512a_100000756455_100015324214 [0,1,0,0,0,0|2,0,1]=4 1174 B14R1.156 CCNNC(=O)NCc1ccccc1 512a_100015324214_100000756455 [0,1,0,0,0,0|2,0,1]=4 1175 B14R1.156 CCNNC(=O)NNc1ccccc1 512a_100000756455_100015195140 [0,1,0,0,0,0|3,0,0]=4 1176 B14R1.156 CCOCC(=O)C=Cc1cncnc1 6a_100000749868_100000209952 [0,1,0,0,0,0|2,0,0]=3 1177 B14R1.156 CCOCC(=O)CCc1ccccc1 1458a_100000211967_100000765856 [0,1,0,0,0,0|0,0,2]=3 1178 B14R1.156 CCOCC(=O)CCc1ccccc1 34a_100121572206_100012361361 [0,1,0,0,0,0|0,0,2]=3 1179 B14R1.156 CCOCC(=O)CCc1ccccn1 1458a_100000211967_100015183660 [0,1,0,0,0,0|1,0,2]=4 1180 B14R1.156 CCOCC(=O)CCc1cccnc1 1458a_100000211967_200011713674 [0,1,0,0,0,0|1,0,2]=4 1181 B14R1.156 CCOCC(=O)CCc1ccncc1 1458a_100000211967_100000723409 [0,1,0,0,0,0|1,0,2]=4 1182 B14R1.156 CCOCC(=O)NCc1ccccc1 11a_100015324214_100000211967 [0,1,0,0,0,0|1,0,1]=3 1183 B14R1.156 CCOCC(=O)NCc1ccccc1 1626a_100015324214_100000211967 [0,1,0,0,0,0|1,0,1]=3 1184 B14R1.156 CCOCC(=O)NCc1ccccc1 240690a_100015324214_100000211967 [0,1,0,0,0,0|1,0,1]=3 1185 B14R1.156 CCOCC(=O)NCc1ccccc1 34a_100121572206_100000183539 [0,1,0,0,0,0|1,0,1]=3 1186 B14R1.156 CCOCC(=O)NCc1ccccc1 527a_100015324214_100000211967 [0,1,0,0,0,0|1,0,1]=3 1187 B14R1.156 CCOCC(=O)NCc1ccccn1 11a_100000210449_100000211967 [0,1,0,0,0,0|2,0,1]=4 1188 B14R1.156 CCOCC(=O)NCc1ccccn1 1626a_100000210449_100000211967 [0,1,0,0,0,0|2,0,1]=4 1189 B14R1.156 CCOCC(=O)NCc1ccccn1 240690a_100000210449_100000211967 [0,1,0,0,0,0|2,0,1]=4 1190 B14R1.156 CCOCC(=O)NCc1ccccn1 34a_100121572206_100000684169 [0,1,0,0,0,0|2,0,1]=4 1191 B14R1.156 CCOCC(=O)NCc1ccccn1 527a_100000210449_100000211967 [0,1,0,0,0,0|2,0,1]=4 1192 B14R1.156 CCOCC(=O)NCc1cccnc1 11a_100000210453_100000211967 [0,1,0,0,0,0|2,0,1]=4 1193 B14R1.156 CCOCC(=O)NCc1cccnc1 240690a_100000210453_100000211967 [0,1,0,0,0,0|2,0,1]=4 1194 B14R1.156 CCOCC(=O)NCc1cccnc1 527a_100000210453_100000211967 [0,1,0,0,0,0|2,0,1]=4 1195 B14R1.156 CCOCC(=O)NCc1ccncc1 11a_100000210450_100000211967 [0,1,0,0,0,0|2,0,1]=4 1196 B14R1.156 CCOCC(=O)NCc1ccncc1 1626a_100000210450_100000211967 [0,1,0,0,0,0|2,0,1]=4 1197 B14R1.156 CCOCC(=O)NCc1ccncc1 240690a_100000210450_100000211967 [0,1,0,0,0,0|2,0,1]=4 1198 B14R1.156 CCOCC(=O)NCc1ccncc1 527a_100000210450_100000211967 [0,1,0,0,0,0|2,0,1]=4 1199 B14R1.156 CCOCC(=O)NNc1ccccc1 22a_100015195140_100000211967 [0,1,0,0,0,0|2,0,0]=3 1200 B14R1.156 CCOCC(=O)NNc1ccccn1 22a_100000183288_100000211967 [0,1,0,0,0,0|3,0,0]=4 1201 B14R1.156 CCOCC(=O)NNc1cccnc1 22a_100000728903_100000211967 [0,1,0,0,0,0|3,0,0]=4 1202 B14R1.156 CCOCC(=O)NNc1ccncc1 22a_100000698918_100000211967 [0,1,0,0,0,0|3,0,0]=4 1203 B14R1.156 CCOCC(=O)OCc1ccccc1 34a_100121572206_100000753625 [0,1,0,0,0,0|1,0,1]=3 1204 B14R1.156 CCSCC(=O)C=Cc1cncnc1 6a_100000749868_200011216171 [0,1,0,0,0,0|2,1,0]=4 1205 B14R1.156 CCSCC(=O)CCc1ccccc1 1458a_100000230394_100000765856 [0,1,0,0,0,0|0,1,2]=4 1206 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100000210202_100012361361 [0,1,0,0,0,0|0,1,2]=4 1207 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210202 [0,1,0,0,0,0|0,1,2]=4 1208 B14R1.156 CCSCC(=O)NCc1ccccc1 11a_100015324214_100000230394 [0,1,0,0,0,0|1,1,1]=4 1209 B14R1.156 CCSCC(=O)NCc1ccccc1 1626a_100015324214_100000230394 [0,1,0,0,0,0|1,1,1]=4 1210 B14R1.156 CCSCC(=O)NCc1ccccc1 240690a_100015324214_100000230394 [0,1,0,0,0,0|1,1,1]=4 1211 B14R1.156 CCSCC(=O)NCc1ccccc1 527a_100015324214_100000230394 [0,1,0,0,0,0|1,1,1]=4 1212 B14R1.156 CCSCC(=O)NCc1ccccc1 62a_100000183539_100000210202 [0,1,0,0,0,0|1,1,1]=4 1213 B14R1.156 CCSCC(=O)NCc1ccccc1 62a_100000210202_100000183539 [0,1,0,0,0,0|1,1,1]=4 1214 B14R1.156 CCSCC(=O)NNc1ccccc1 22a_100015195140_100000230394 [0,1,0,0,0,0|2,1,0]=4 1215 B14R1.156 CCSCC(=O)OCc1ccccc1 62a_100000210202_100000753625 [0,1,0,0,0,0|1,1,1]=4 1216 B14R1.156 CCSCC(=O)OCc1ccccc1 62a_100000753625_100000210202 [0,1,0,0,0,0|1,1,1]=4 1217 B14R1.156 CNCCC(=O)NCc1ccccc1 2230a_100025741942_200000210301 [0,1,0,0,0,0|2,0,1]=4 1218 B14R1.156 CNCCC(=O)NCc1ccccc1 34a_100025741942_200000210301 [0,1,0,0,0,0|2,0,1]=4 1219 B14R1.156 CNCCC(=O)OCc1ccccc1 2230a_106832991635_100009813219 [0,1,0,0,0,0|2,0,1]=4 1220 B14R1.156 CNCCC(=O)OCc1ccccc1 7a_106832991635_100009813219 [0,1,0,0,0,0|2,0,1]=4 1221 B14R1.156 COCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000233755 [0,1,0,0,0,0|1,0,2]=4 1222 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [0,1,0,0,0,0|1,0,0]=2 1223 B14R1.156 COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000233755 [0,1,0,0,0,0|2,0,0]=3 1224 B14R1.156 COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000233755 [0,1,0,0,0,0|2,0,0]=3 1225 B14R1.156 COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000233755 [0,1,0,0,0,0|2,0,0]=3 1226 B14R1.156 COCCC(=O)C=Cc1cncnc1 6a_100000749868_100000742357 [0,1,0,0,0,0|3,0,0]=4 1227 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000185753_100000233755 [0,1,0,0,0,0|1,0,2]=4 1228 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000749529_100000765856 [0,1,0,0,0,0|1,0,2]=4 1229 B14R1.156 COCCC(=O)COc1ccccc1 1458a_100000186222_100000233755 [0,1,0,0,0,0|2,0,1]=4 1230 B14R1.156 COCCC(=O)CSc1ccccc1 1458a_100000211596_100000233755 [0,1,0,0,0,0|2,0,1]=4 1231 B14R1.156 COCCC(=O)NCc1ccccc1 11a_100015324214_100000749529 [0,1,0,0,0,0|2,0,1]=4 1232 B14R1.156 COCCC(=O)NCc1ccccc1 1626a_100015324214_100000749529 [0,1,0,0,0,0|2,0,1]=4 1233 B14R1.156 COCCC(=O)NCc1ccccc1 240690a_100015324214_100000749529 [0,1,0,0,0,0|2,0,1]=4 1234 B14R1.156 COCCC(=O)NCc1ccccc1 527a_100015324214_100000749529 [0,1,0,0,0,0|2,0,1]=4 1235 B14R1.156 COCCC(=O)NNc1ccccc1 22a_100015195140_100000749529 [0,1,0,0,0,0|3,0,0]=4 1236 B14R1.156 COCCC(=O)OCc1ccccc1 7a_100009831632_200000210301 [0,1,0,0,0,0|2,0,1]=4 1237 B14R1.156 CSCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000751147 [0,1,0,0,0,0|1,0,2]=4 1238 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [0,1,0,0,0,0|1,0,0]=2 1239 B14R1.156 CSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000751147 [0,1,0,0,0,0|2,0,0]=3 1240 B14R1.156 CSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000751147 [0,1,0,0,0,0|2,0,0]=3 1241 B14R1.156 CSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000751147 [0,1,0,0,0,0|2,0,0]=3 1242 B14R1.156 CSCCC(=O)C=Cc1cncnc1 6a_100000749868_100011217047 [0,1,0,0,0,0|3,0,0]=4 1243 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000174002_100000765856 [0,1,0,0,0,0|1,0,2]=4 1244 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000185753_100000751147 [0,1,0,0,0,0|1,0,2]=4 1245 B14R1.156 CSCCC(=O)COc1ccccc1 1458a_100000186222_100000751147 [0,1,0,0,0,0|2,0,1]=4 1246 B14R1.156 CSCCC(=O)CSc1ccccc1 1458a_100000211596_100000751147 [0,1,0,0,0,0|2,0,1]=4 1247 B14R1.156 CSCCC(=O)NCc1ccccc1 11a_100015324214_100000174002 [0,1,0,0,0,0|2,0,1]=4 1248 B14R1.156 CSCCC(=O)NCc1ccccc1 1626a_100015324214_100000174002 [0,1,0,0,0,0|2,0,1]=4 1249 B14R1.156 CSCCC(=O)NCc1ccccc1 240690a_100015324214_100000174002 [0,1,0,0,0,0|2,0,1]=4 1250 B14R1.156 CSCCC(=O)NCc1ccccc1 527a_100015324214_100000174002 [0,1,0,0,0,0|2,0,1]=4 1251 B14R1.156 CSCCC(=O)NNc1ccccc1 22a_100015195140_100000174002 [0,1,0,0,0,0|3,0,0]=4 1252 B14R1.156 CSCCC(=O)OCc1ccccc1 62a_100009813219_200000210301 [0,1,0,0,0,0|2,0,1]=4 1253 B14R1.156 CSCCC(=O)OCc1ccccc1 62a_200000210301_100009813219 [0,1,0,0,0,0|2,0,1]=4 1254 B14R1.156 N#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215226 [0,1,0,0,0,0|1,0,1]=3 1255 B14R1.156 N#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215226 [0,1,0,0,0,0|2,0,1]=4 1256 B14R1.156 N#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215226 [0,1,0,0,0,0|2,0,1]=4 1257 B14R1.156 N#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215226 [0,1,0,0,0,0|2,0,1]=4 1258 B14R1.156 N#CCNC(=O)C=Cc1ccccc1 1626a_100000734998_100000210462 [0,1,0,0,0,0|1,0,1]=3 1259 B14R1.156 O=C(C#Cc1ccccc1)CCCF 1458a_100000736102_100011934791 [0,1,0,0,0,0|1,0,2]=4 1260 B14R1.156 O=C(C#Cc1ccccc1)CCCO 1458a_100000736102_100011215043 [0,1,0,0,0,0|1,0,2]=4 1261 B14R1.156 O=C(C#Cc1ccccc1)NCCF 240690a_100000724931_100000736102 [0,1,0,0,0,0|1,0,2]=4 1262 B14R1.156 O=C(C#Cc1ccccc1)NCCO 240690a_100000210304_100000736102 [0,1,0,0,0,0|1,0,2]=4 1263 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [0,1,0,0,0,0|1,0,0]=2 1264 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [0,1,0,0,0,0|1,0,0]=2 1265 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [0,1,0,0,0,0|1,0,0]=2 1266 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [0,1,0,0,0,0|1,0,0]=2 1267 B14R1.156 O=C(C=Cc1ccccn1)CCCF 1458a_100000740811_100011934791 [0,1,0,0,0,0|2,0,0]=3 1268 B14R1.156 O=C(C=Cc1ccccn1)CCCO 1458a_100000740811_100011215043 [0,1,0,0,0,0|2,0,0]=3 1269 B14R1.156 O=C(C=Cc1ccccn1)NCCF 11a_100000724931_100000740811 [0,1,0,0,0,0|2,0,0]=3 1270 B14R1.156 O=C(C=Cc1ccccn1)NCCF 240690a_100000724931_100000740811 [0,1,0,0,0,0|2,0,0]=3 1271 B14R1.156 O=C(C=Cc1ccccn1)NCCO 240690a_100000210304_100000740811 [0,1,0,0,0,0|2,0,0]=3 1272 B14R1.156 O=C(C=Cc1cccnc1)CCCF 1458a_100000735890_100011934791 [0,1,0,0,0,0|2,0,0]=3 1273 B14R1.156 O=C(C=Cc1cccnc1)CCCO 1458a_100000735890_100011215043 [0,1,0,0,0,0|2,0,0]=3 1274 B14R1.156 O=C(C=Cc1cccnc1)NCCF 11a_100000724931_100000735890 [0,1,0,0,0,0|2,0,0]=3 1275 B14R1.156 O=C(C=Cc1cccnc1)NCCF 240690a_100000724931_100000735890 [0,1,0,0,0,0|2,0,0]=3 1276 B14R1.156 O=C(C=Cc1cccnc1)NCCO 240690a_100000210304_100000735890 [0,1,0,0,0,0|2,0,0]=3 1277 B14R1.156 O=C(C=Cc1ccncc1)CCCF 1458a_100000682801_100011934791 [0,1,0,0,0,0|2,0,0]=3 1278 B14R1.156 O=C(C=Cc1ccncc1)CCCO 1458a_100000682801_100011215043 [0,1,0,0,0,0|2,0,0]=3 1279 B14R1.156 O=C(C=Cc1ccncc1)NCCF 240690a_100000724931_100000682801 [0,1,0,0,0,0|2,0,0]=3 1280 B14R1.156 O=C(C=Cc1ccncc1)NCCO 240690a_100000210304_100000682801 [0,1,0,0,0,0|2,0,0]=3 1281 B14R1.156 O=C(C=Cc1cncnc1)CCCBr 6a_100000749868_100000685027 [0,1,0,0,0,0|3,0,0]=4 1282 B14R1.156 O=C(C=Cc1cncnc1)CCCCl 6a_100000749868_100011215641 [0,1,0,0,0,0|3,0,0]=4 1283 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [0,1,0,0,0,0|1,0,2]=4 1284 B14R1.156 O=C(CCCF)COc1ccccc1 1458a_100000186222_100011934791 [0,1,0,0,0,0|2,0,1]=4 1285 B14R1.156 O=C(CCCF)CSc1ccccc1 1458a_100000211596_100011934791 [0,1,0,0,0,0|2,0,1]=4 1286 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [0,1,0,0,0,0|1,0,2]=4 1287 B14R1.156 O=C(CCCO)COc1ccccc1 1458a_100000186222_100011215043 [0,1,0,0,0,0|2,0,1]=4 1288 B14R1.156 O=C(CCCO)CSc1ccccc1 1458a_100000211596_100011215043 [0,1,0,0,0,0|2,0,1]=4 1289 B14R1.156 O=C(CCc1ccccc1)NCCF 11a_100000724931_100000185753 [0,1,0,0,0,0|1,0,2]=4 1290 B14R1.156 O=C(CCc1ccccc1)NCCF 1626a_100000724931_100000185753 [0,1,0,0,0,0|1,0,2]=4 1291 B14R1.156 O=C(CCc1ccccc1)NCCF 240690a_100000724931_100000185753 [0,1,0,0,0,0|1,0,2]=4 1292 B14R1.156 O=C(CCc1ccccc1)NCCF 527a_100000724931_100000185753 [0,1,0,0,0,0|1,0,2]=4 1293 B14R1.156 O=C(CCc1ccccc1)NCCO 240690a_100000210304_100000185753 [0,1,0,0,0,0|1,0,2]=4 1294 B14R1.156 O=C(CCc1ccccc1)NCCO 527a_100000210304_100000185753 [0,1,0,0,0,0|1,0,2]=4 1295 B14R1.156 O=C(COc1ccccc1)NCCF 11a_100000724931_100000186222 [0,1,0,0,0,0|2,0,1]=4 1296 B14R1.156 O=C(COc1ccccc1)NCCF 1626a_100000724931_100000186222 [0,1,0,0,0,0|2,0,1]=4 1297 B14R1.156 O=C(COc1ccccc1)NCCF 240690a_100000724931_100000186222 [0,1,0,0,0,0|2,0,1]=4 1298 B14R1.156 O=C(COc1ccccc1)NCCF 527a_100000724931_100000186222 [0,1,0,0,0,0|2,0,1]=4 1299 B14R1.156 O=C(COc1ccccc1)NCCO 240690a_100000210304_100000186222 [0,1,0,0,0,0|2,0,1]=4 1300 B14R1.156 O=C(COc1ccccc1)NCCO 527a_100000210304_100000186222 [0,1,0,0,0,0|2,0,1]=4 1301 B14R1.156 O=C(CSc1ccccc1)NCCF 11a_100000724931_100000211596 [0,1,0,0,0,0|2,0,1]=4 1302 B14R1.156 O=C(CSc1ccccc1)NCCF 1626a_100000724931_100000211596 [0,1,0,0,0,0|2,0,1]=4 1303 B14R1.156 O=C(CSc1ccccc1)NCCF 240690a_100000724931_100000211596 [0,1,0,0,0,0|2,0,1]=4 1304 B14R1.156 O=C(CSc1ccccc1)NCCF 527a_100000724931_100000211596 [0,1,0,0,0,0|2,0,1]=4 1305 B14R1.156 O=C(CSc1ccccc1)NCCO 240690a_100000210304_100000211596 [0,1,0,0,0,0|2,0,1]=4 1306 B14R1.156 O=C(CSc1ccccc1)NCCO 527a_100000210304_100000211596 [0,1,0,0,0,0|2,0,1]=4 1307 B14R1.156 O=C(NCCF)NCc1ccccc1 2708a_100015324214_100000724931 [0,1,0,0,0,0|2,0,1]=4 1308 B14R1.156 O=C(NCCF)NCc1ccccc1 273464a_100000724931_100015324214 [0,1,0,0,0,0|2,0,1]=4 1309 B14R1.156 O=C(NCCF)NCc1ccccc1 273464a_100015324214_100000724931 [0,1,0,0,0,0|2,0,1]=4 1310 B14R1.156 O=C(NCCF)NCc1ccccc1 512a_100015324214_100000724931 [0,1,0,0,0,0|2,0,1]=4 1311 B14R1.156 O=C(NCCF)NNc1ccccc1 273464a_100000724931_100015195140 [0,1,0,0,0,0|3,0,0]=4 1312 B14R1.156 O=C(NCCO)NCc1ccccc1 2708a_100015324214_100000210304 [0,1,0,0,0,0|2,0,1]=4 1313 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100000210304_100015324214 [0,1,0,0,0,0|2,0,1]=4 1314 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100015324214_100000210304 [0,1,0,0,0,0|2,0,1]=4 1315 B14R1.156 O=C(NCCO)NCc1ccccc1 512a_100015324214_100000210304 [0,1,0,0,0,0|2,0,1]=4 1316 B14R1.156 O=C(NCCO)NNc1ccccc1 273464a_100000210304_100015195140 [0,1,0,0,0,0|3,0,0]=4 1317 B14R1.156 [13CH3]NCCC(=O)NCc1ccccc1 2230a_100025741942_200025704644 [0,1,0,0,0,0|2,0,1]=4 1318 B14R1.156 [13CH3]NCCC(=O)NCc1ccccc1 34a_100025741942_200025704644 [0,1,0,0,0,0|2,0,1]=4 1319 B14R1.156 [13CH3]OCCC(=O)OCc1ccccc1 7a_100009831632_200025704644 [0,1,0,0,0,0|2,0,1]=4 1320 B14R1.156 [13CH3]SCCC(=O)OCc1ccccc1 62a_100009813219_200025704644 [0,1,0,0,0,0|2,0,1]=4 1321 B14R1.156 [13CH3]SCCC(=O)OCc1ccccc1 62a_200025704644_100009813219 [0,1,0,0,0,0|2,0,1]=4 1322 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000184674 [0,1,0,0,0,0|1,0,2]=4 1323 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000184674 [0,1,0,0,0,0|1,0,2]=4 1324 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000184674 [0,1,0,0,0,0|1,0,2]=4 1325 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000184674 [0,1,0,0,0,0|1,0,2]=4 1326 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000184674 [0,1,0,0,0,0|1,0,2]=4 1327 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210623 [0,1,0,0,0,0|1,0,2]=4 1328 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210623 [0,1,0,0,0,0|1,0,2]=4 1329 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210623 [0,1,0,0,0,0|1,0,2]=4 1330 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210623 [0,1,0,0,0,0|1,0,2]=4 1331 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210623 [0,1,0,0,0,0|1,0,2]=4 1332 B14R1.502 CCCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210303 [0,1,0,0,0,0|1,0,2]=4 1333 B14R1.502 CCCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210303 [0,1,0,0,0,0|1,0,2]=4 1334 B14R1.502 CCCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210303 [0,1,0,0,0,0|1,0,2]=4 1335 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210303 [0,1,0,0,0,0|1,0,0]=2 1336 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215381 [0,1,0,0,0,0|1,0,0]=2 1337 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210303 [0,1,0,0,0,0|1,0,0]=2 1338 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210303 [0,1,0,0,0,0|1,0,0]=2 1339 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210303 [0,1,0,0,0,0|1,0,0]=2 1340 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215381 [0,1,0,0,0,0|1,0,0]=2 1341 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210303 [0,1,0,0,0,0|1,0,0]=2 1342 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215381 [0,1,0,0,0,0|1,0,0]=2 1343 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011215381 [0,1,0,0,0,0|2,0,0]=3 1344 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210303 [0,1,0,0,0,0|2,0,0]=3 1345 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011215381 [0,1,0,0,0,0|2,0,0]=3 1346 B14R1.502 CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210303 [0,1,0,0,0,0|2,0,0]=3 1347 B14R1.502 CCCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100011215381 [0,1,0,0,0,0|3,0,0]=4 1348 B14R1.502 CCCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100011215381 [0,1,0,0,0,0|3,0,0]=4 1349 B14R1.502 CCCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100011215381 [0,1,0,0,0,0|3,0,0]=4 1350 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000211992_100011740612 [0,1,0,0,0,0|1,0,2]=4 1351 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210303 [0,1,0,0,0,0|1,0,2]=4 1352 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000211992_100011713686 [0,1,0,0,0,0|1,0,2]=4 1353 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210303 [0,1,0,0,0,0|1,0,2]=4 1354 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000211992_100011713675 [0,1,0,0,0,0|1,0,2]=4 1355 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210303 [0,1,0,0,0,0|1,0,2]=4 1356 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210303 [0,1,0,0,0,0|1,0,2]=4 1357 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000211992_100011217392 [0,1,0,0,0,0|1,0,2]=4 1358 B14R1.502 CCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210303 [0,1,0,0,0,0|1,0,2]=4 1359 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000211992_100009816426 [0,1,0,0,0,0|1,0,2]=4 1360 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210303 [0,1,0,0,0,0|1,0,2]=4 1361 B14R1.502 CCCC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747444 [0,1,0,0,0,0|2,0,1]=4 1362 B14R1.502 CCCC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747444 [0,1,0,0,0,0|2,0,1]=4 1363 B14R1.502 CCCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210303 [0,1,0,0,0,0|2,0,1]=4 1364 B14R1.502 CCCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747444 [0,1,0,0,0,0|2,0,1]=4 1365 B14R1.502 CCCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210303 [0,1,0,0,0,0|2,0,1]=4 1366 B14R1.502 CCCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747444 [0,1,0,0,0,0|2,0,1]=4 1367 B14R1.502 CCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210303 [0,1,0,0,0,0|2,0,1]=4 1368 B14R1.502 CCCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747444 [0,1,0,0,0,0|2,0,1]=4 1369 B14R1.502 CCCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210303 [0,1,0,0,0,0|2,0,1]=4 1370 B14R1.502 CCCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210303 [0,1,0,0,0,0|2,0,1]=4 1371 B14R1.502 CCCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747444 [0,1,0,0,0,0|2,0,1]=4 1372 B14R1.502 CCCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210303 [0,1,0,0,0,0|2,0,1]=4 1373 B14R1.502 CCCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210303 [0,1,0,0,0,0|2,0,1]=4 1374 B14R1.502 CCCC(=O)CSc1ccc(cc1)Br 62a_100000747444_100000752885 [0,1,0,0,0,0|2,0,1]=4 1375 B14R1.502 CCCC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747444 [0,1,0,0,0,0|2,0,1]=4 1376 B14R1.502 CCCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210303 [0,1,0,0,0,0|2,0,1]=4 1377 B14R1.502 CCCC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747444 [0,1,0,0,0,0|2,0,1]=4 1378 B14R1.502 CCCC(=O)CSc1ccc(cc1)C 62a_100000747444_100000186775 [0,1,0,0,0,0|2,0,1]=4 1379 B14R1.502 CCCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210303 [0,1,0,0,0,0|2,0,1]=4 1380 B14R1.502 CCCC(=O)CSc1ccc(cc1)Cl 62a_100000747444_100000755918 [0,1,0,0,0,0|2,0,1]=4 1381 B14R1.502 CCCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747444 [0,1,0,0,0,0|2,0,1]=4 1382 B14R1.502 CCCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210303 [0,1,0,0,0,0|2,0,1]=4 1383 B14R1.502 CCCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747444 [0,1,0,0,0,0|2,0,1]=4 1384 B14R1.502 CCCC(=O)CSc1ccc(cc1)F 62a_100000747444_100000211213 [0,1,0,0,0,0|2,0,1]=4 1385 B14R1.502 CCCC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747444 [0,1,0,0,0,0|2,0,1]=4 1386 B14R1.502 CCCC(=O)CSc1ccc(cc1)N 62a_100000747444_100000185761 [0,1,0,0,0,0|2,0,1]=4 1387 B14R1.502 CCCC(=O)CSc1ccc(cc1)O 62a_100000747444_100000185759 [0,1,0,0,0,0|2,0,1]=4 1388 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000211992 [0,1,0,0,0,0|2,0,1]=4 1389 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000211992 [0,1,0,0,0,0|2,0,1]=4 1390 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000211992 [0,1,0,0,0,0|2,0,1]=4 1391 B14R1.502 CCCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000211992 [0,1,0,0,0,0|2,0,1]=4 1392 B14R1.502 CCCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000211992 [0,1,0,0,0,0|2,0,1]=4 1393 B14R1.502 CCCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000211992 [0,1,0,0,0,0|2,0,1]=4 1394 B14R1.502 CCCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000211992 [0,1,0,0,0,0|2,0,1]=4 1395 B14R1.502 CCCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000211992 [0,1,0,0,0,0|2,0,1]=4 1396 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000211992 [0,1,0,0,0,0|2,0,1]=4 1397 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000211992 [0,1,0,0,0,0|2,0,1]=4 1398 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000211992 [0,1,0,0,0,0|2,0,1]=4 1399 B14R1.502 CCCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000211992 [0,1,0,0,0,0|2,0,1]=4 1400 B14R1.502 CCCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000211992 [0,1,0,0,0,0|2,0,1]=4 1401 B14R1.502 CCCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000211992 [0,1,0,0,0,0|2,0,1]=4 1402 B14R1.502 CCCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000211992 [0,1,0,0,0,0|2,0,1]=4 1403 B14R1.502 CCCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000211992 [0,1,0,0,0,0|2,0,1]=4 1404 B14R1.502 CCCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000211992 [0,1,0,0,0,0|2,0,1]=4 1405 B14R1.502 CCCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000211992 [0,1,0,0,0,0|2,0,1]=4 1406 B14R1.502 CCCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000211992 [0,1,0,0,0,0|2,0,1]=4 1407 B14R1.502 CCCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000211992 [0,1,0,0,0,0|2,0,1]=4 1408 B14R1.502 CCCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000211992 [0,1,0,0,0,0|2,0,1]=4 1409 B14R1.502 CCCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000211992 [0,1,0,0,0,0|2,0,1]=4 1410 B14R1.502 CCCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000211992 [0,1,0,0,0,0|3,0,0]=4 1411 B14R1.502 CCCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000211992 [0,1,0,0,0,0|3,0,0]=4 1412 B14R1.502 CCCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000211992 [0,1,0,0,0,0|3,0,0]=4 1413 B14R1.502 CCCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000211992 [0,1,0,0,0,0|3,0,0]=4 1414 B14R1.502 CCCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000211992 [0,1,0,0,0,0|3,0,0]=4 1415 B14R1.502 CCNC(=O)C#Cc1ccc(cc1)Cl 240690a_100015525214_100011892723 [0,1,0,0,0,0|1,0,2]=4 1416 B14R1.502 CCNC(=O)C#Cc1ccc(cc1)F 240690a_100015525214_100000238512 [0,1,0,0,0,0|1,0,2]=4 1417 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br 11a_100015525214_100016267368 [0,1,0,0,0,0|1,0,0]=2 1418 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 11a_100015525214_100000716854 [0,1,0,0,0,0|1,0,0]=2 1419 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 240690a_100015525214_100000716854 [0,1,0,0,0,0|1,0,0]=2 1420 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015525214_100000184863 [0,1,0,0,0,0|1,0,0]=2 1421 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015525214_100000184863 [0,1,0,0,0,0|1,0,0]=2 1422 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 11a_100015525214_100000182136 [0,1,0,0,0,0|1,0,0]=2 1423 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 240690a_100015525214_100000182136 [0,1,0,0,0,0|1,0,0]=2 1424 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 11a_100015525214_100102526154 [0,1,0,0,0,0|1,0,0]=2 1425 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 240690a_100015525214_100102526154 [0,1,0,0,0,0|1,0,0]=2 1426 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)O 240690a_100015525214_100016269017 [0,1,0,0,0,0|1,0,0]=2 1427 B14R1.502 CCNC(=O)C=Cc1ccc(cn1)F 11a_100015525214_100020630499 [0,1,0,0,0,0|2,0,0]=3 1428 B14R1.502 CCNC(=O)C=Cc1ccc(cn1)F 240690a_100015525214_100020630499 [0,1,0,0,0,0|2,0,0]=3 1429 B14R1.502 CCNC(=O)C=Cc1ccc(nc1)Br 11a_100015525214_100020588214 [0,1,0,0,0,0|2,0,0]=3 1430 B14R1.502 CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100015525214_100020588214 [0,1,0,0,0,0|2,0,0]=3 1431 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 11a_100015525214_100000217147 [0,1,0,0,0,0|1,0,2]=4 1432 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 240690a_100015525214_100000217147 [0,1,0,0,0,0|1,0,2]=4 1433 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 527a_100015525214_100000217147 [0,1,0,0,0,0|1,0,2]=4 1434 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 11a_100015525214_100000234883 [0,1,0,0,0,0|1,0,2]=4 1435 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 240690a_100015525214_100000234883 [0,1,0,0,0,0|1,0,2]=4 1436 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 527a_100015525214_100000234883 [0,1,0,0,0,0|1,0,2]=4 1437 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 11a_100015525214_100000235379 [0,1,0,0,0,0|1,0,2]=4 1438 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 240690a_100015525214_100000235379 [0,1,0,0,0,0|1,0,2]=4 1439 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 527a_100015525214_100000235379 [0,1,0,0,0,0|1,0,2]=4 1440 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 11a_100015525214_100000198493 [0,1,0,0,0,0|1,0,2]=4 1441 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 240690a_100015525214_100000198493 [0,1,0,0,0,0|1,0,2]=4 1442 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 527a_100015525214_100000198493 [0,1,0,0,0,0|1,0,2]=4 1443 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 11a_100015525214_100011217499 [0,1,0,0,0,0|1,0,2]=4 1444 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 240690a_100015525214_100011217499 [0,1,0,0,0,0|1,0,2]=4 1445 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 527a_100015525214_100011217499 [0,1,0,0,0,0|1,0,2]=4 1446 B14R1.502 CCNC(=O)CCc1ccc(cc1)O 240690a_100015525214_100000742835 [0,1,0,0,0,0|1,0,2]=4 1447 B14R1.502 CCNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183381 [0,1,0,0,0,0|2,0,1]=4 1448 B14R1.502 CCNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183381 [0,1,0,0,0,0|2,0,1]=4 1449 B14R1.502 CCNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183381 [0,1,0,0,0,0|2,0,1]=4 1450 B14R1.502 CCNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183381 [0,1,0,0,0,0|2,0,1]=4 1451 B14R1.502 CCNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183381 [0,1,0,0,0,0|2,0,1]=4 1452 B14R1.502 CCNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183381 [0,1,0,0,0,0|2,0,1]=4 1453 B14R1.502 CCNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183381 [0,1,0,0,0,0|2,0,1]=4 1454 B14R1.502 CCNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183381 [0,1,0,0,0,0|2,0,1]=4 1455 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 11a_100015525214_100000182358 [0,1,0,0,0,0|2,0,1]=4 1456 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 240690a_100015525214_100000182358 [0,1,0,0,0,0|2,0,1]=4 1457 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183381 [0,1,0,0,0,0|2,0,1]=4 1458 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 527a_100015525214_100000182358 [0,1,0,0,0,0|2,0,1]=4 1459 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183381 [0,1,0,0,0,0|2,0,1]=4 1460 B14R1.502 CCNC(=O)COc1ccc(cc1)C 11a_100015525214_100000182360 [0,1,0,0,0,0|2,0,1]=4 1461 B14R1.502 CCNC(=O)COc1ccc(cc1)C 240690a_100015525214_100000182360 [0,1,0,0,0,0|2,0,1]=4 1462 B14R1.502 CCNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183381 [0,1,0,0,0,0|2,0,1]=4 1463 B14R1.502 CCNC(=O)COc1ccc(cc1)C 527a_100015525214_100000182360 [0,1,0,0,0,0|2,0,1]=4 1464 B14R1.502 CCNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183381 [0,1,0,0,0,0|2,0,1]=4 1465 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 11a_100015525214_100016990877 [0,1,0,0,0,0|2,0,1]=4 1466 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 240690a_100015525214_100016990877 [0,1,0,0,0,0|2,0,1]=4 1467 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183381 [0,1,0,0,0,0|2,0,1]=4 1468 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 527a_100015525214_100016990877 [0,1,0,0,0,0|2,0,1]=4 1469 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183381 [0,1,0,0,0,0|2,0,1]=4 1470 B14R1.502 CCNC(=O)COc1ccc(cc1)F 11a_100015525214_100000184765 [0,1,0,0,0,0|2,0,1]=4 1471 B14R1.502 CCNC(=O)COc1ccc(cc1)F 240690a_100015525214_100000184765 [0,1,0,0,0,0|2,0,1]=4 1472 B14R1.502 CCNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183381 [0,1,0,0,0,0|2,0,1]=4 1473 B14R1.502 CCNC(=O)COc1ccc(cc1)F 527a_100015525214_100000184765 [0,1,0,0,0,0|2,0,1]=4 1474 B14R1.502 CCNC(=O)COc1ccc(cc1)I 11a_100015525214_100000184369 [0,1,0,0,0,0|2,0,1]=4 1475 B14R1.502 CCNC(=O)COc1ccc(cc1)I 240690a_100015525214_100000184369 [0,1,0,0,0,0|2,0,1]=4 1476 B14R1.502 CCNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183381 [0,1,0,0,0,0|2,0,1]=4 1477 B14R1.502 CCNC(=O)COc1ccc(cc1)I 527a_100015525214_100000184369 [0,1,0,0,0,0|2,0,1]=4 1478 B14R1.502 CCNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183381 [0,1,0,0,0,0|2,0,1]=4 1479 B14R1.502 CCNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183381 [0,1,0,0,0,0|2,0,1]=4 1480 B14R1.502 CCNC(=O)COc1ccc(cc1)O 240690a_100015525214_100000031633 [0,1,0,0,0,0|2,0,1]=4 1481 B14R1.502 CCNC(=O)COc1ccc(cc1)O 527a_100015525214_100000031633 [0,1,0,0,0,0|2,0,1]=4 1482 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 11a_100015525214_100000179496 [0,1,0,0,0,0|2,0,1]=4 1483 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 240690a_100015525214_100000179496 [0,1,0,0,0,0|2,0,1]=4 1484 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 527a_100015525214_100000179496 [0,1,0,0,0,0|2,0,1]=4 1485 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 62a_100000183381_100000752885 [0,1,0,0,0,0|2,0,1]=4 1486 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183381 [0,1,0,0,0,0|2,0,1]=4 1487 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 11a_100015525214_100000179497 [0,1,0,0,0,0|2,0,1]=4 1488 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 240690a_100015525214_100000179497 [0,1,0,0,0,0|2,0,1]=4 1489 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 527a_100015525214_100000179497 [0,1,0,0,0,0|2,0,1]=4 1490 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 62a_100000183381_100000186775 [0,1,0,0,0,0|2,0,1]=4 1491 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183381 [0,1,0,0,0,0|2,0,1]=4 1492 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 11a_100015525214_100000178402 [0,1,0,0,0,0|2,0,1]=4 1493 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 240690a_100015525214_100000178402 [0,1,0,0,0,0|2,0,1]=4 1494 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 527a_100015525214_100000178402 [0,1,0,0,0,0|2,0,1]=4 1495 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 62a_100000183381_100000755918 [0,1,0,0,0,0|2,0,1]=4 1496 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183381 [0,1,0,0,0,0|2,0,1]=4 1497 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 11a_100015525214_100000691584 [0,1,0,0,0,0|2,0,1]=4 1498 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 240690a_100015525214_100000691584 [0,1,0,0,0,0|2,0,1]=4 1499 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 527a_100015525214_100000691584 [0,1,0,0,0,0|2,0,1]=4 1500 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 62a_100000183381_100000211213 [0,1,0,0,0,0|2,0,1]=4 1501 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183381 [0,1,0,0,0,0|2,0,1]=4 1502 B14R1.502 CCNC(=O)CSc1ccc(cc1)N 62a_100000183381_100000185761 [0,1,0,0,0,0|2,0,1]=4 1503 B14R1.502 CCNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183381 [0,1,0,0,0,0|2,0,1]=4 1504 B14R1.502 CCNC(=O)CSc1ccc(cc1)O 62a_100000183381_100000185759 [0,1,0,0,0,0|2,0,1]=4 1505 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100015525214 [0,1,0,0,0,0|2,0,1]=4 1506 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 2708a_100015525214_100000174875 [0,1,0,0,0,0|2,0,1]=4 1507 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100015525214 [0,1,0,0,0,0|2,0,1]=4 1508 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 273464a_100015525214_100000174875 [0,1,0,0,0,0|2,0,1]=4 1509 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100015525214 [0,1,0,0,0,0|2,0,1]=4 1510 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 512a_100015525214_100000174875 [0,1,0,0,0,0|2,0,1]=4 1511 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 2708a_100000174908_100015525214 [0,1,0,0,0,0|2,0,1]=4 1512 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 2708a_100015525214_100000174908 [0,1,0,0,0,0|2,0,1]=4 1513 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100015525214 [0,1,0,0,0,0|2,0,1]=4 1514 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 273464a_100015525214_100000174908 [0,1,0,0,0,0|2,0,1]=4 1515 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 512a_100000174908_100015525214 [0,1,0,0,0,0|2,0,1]=4 1516 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 512a_100015525214_100000174908 [0,1,0,0,0,0|2,0,1]=4 1517 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100015525214 [0,1,0,0,0,0|2,0,1]=4 1518 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 2708a_100015525214_100000174871 [0,1,0,0,0,0|2,0,1]=4 1519 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100015525214 [0,1,0,0,0,0|2,0,1]=4 1520 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 273464a_100015525214_100000174871 [0,1,0,0,0,0|2,0,1]=4 1521 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 512a_100015525214_100000174871 [0,1,0,0,0,0|2,0,1]=4 1522 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100015525214 [0,1,0,0,0,0|2,0,1]=4 1523 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 2708a_100015525214_100000174882 [0,1,0,0,0,0|2,0,1]=4 1524 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100015525214 [0,1,0,0,0,0|2,0,1]=4 1525 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 273464a_100015525214_100000174882 [0,1,0,0,0,0|2,0,1]=4 1526 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 512a_100000174882_100015525214 [0,1,0,0,0,0|2,0,1]=4 1527 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 512a_100015525214_100000174882 [0,1,0,0,0,0|2,0,1]=4 1528 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 2708a_100015525214_100016989417 [0,1,0,0,0,0|2,0,1]=4 1529 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100015525214 [0,1,0,0,0,0|2,0,1]=4 1530 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 273464a_100015525214_100016989417 [0,1,0,0,0,0|2,0,1]=4 1531 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100015525214 [0,1,0,0,0,0|2,0,1]=4 1532 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 512a_100015525214_100016989417 [0,1,0,0,0,0|2,0,1]=4 1533 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 512a_100016989417_100015525214 [0,1,0,0,0,0|2,0,1]=4 1534 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100015525214 [0,1,0,0,0,0|2,0,1]=4 1535 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 2708a_100015525214_100000185549 [0,1,0,0,0,0|2,0,1]=4 1536 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100015525214 [0,1,0,0,0,0|2,0,1]=4 1537 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 273464a_100015525214_100000185549 [0,1,0,0,0,0|2,0,1]=4 1538 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 512a_100015525214_100000185549 [0,1,0,0,0,0|2,0,1]=4 1539 B14R1.502 CCNC(=O)NNc1ccc(cc1)Br 273464a_100015525214_100000735608 [0,1,0,0,0,0|3,0,0]=4 1540 B14R1.502 CCNC(=O)NNc1ccc(cc1)Br 512a_100015525214_100000735608 [0,1,0,0,0,0|3,0,0]=4 1541 B14R1.502 CCNC(=O)NNc1ccc(cc1)C 273464a_100015525214_100000683527 [0,1,0,0,0,0|3,0,0]=4 1542 B14R1.502 CCNC(=O)NNc1ccc(cc1)C 512a_100015525214_100000683527 [0,1,0,0,0,0|3,0,0]=4 1543 B14R1.502 CCNC(=O)NNc1ccc(cc1)Cl 273464a_100015525214_100000683521 [0,1,0,0,0,0|3,0,0]=4 1544 B14R1.502 CCNC(=O)NNc1ccc(cc1)Cl 512a_100015525214_100000683521 [0,1,0,0,0,0|3,0,0]=4 1545 B14R1.502 CCNC(=O)NNc1ccc(cc1)F 273464a_100015525214_100000728448 [0,1,0,0,0,0|3,0,0]=4 1546 B14R1.502 CCNC(=O)NNc1ccc(cc1)F 512a_100015525214_100000728448 [0,1,0,0,0,0|3,0,0]=4 1547 B14R1.502 CCNC(=O)NNc1ccc(cc1)I 273464a_100015525214_100016988836 [0,1,0,0,0,0|3,0,0]=4 1548 B14R1.502 CCNC(=O)NNc1ccc(cc1)I 512a_100015525214_100016988836 [0,1,0,0,0,0|3,0,0]=4 1549 B14R1.502 CCOC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100016304033 [0,1,0,0,0,0|0,0,0]=1 1550 B14R1.502 CCOC(=O)C=Cc1cc[n+](cc1)[O-] 271570a_100010199719_100000039755 [0,1,0,0,0,0|1,0,0]=2 1551 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]c1 271570a_100010199719_100000212171 [0,1,0,0,0,0|1,0,0]=2 1552 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]n1 271570a_100010199719_100009820020 [0,1,0,0,0,0|2,0,0]=3 1553 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br 271570a_100010199719_100000752885 [0,1,0,0,0,0|0,0,0]=1 1554 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C 271570a_100010199719_100000186775 [0,1,0,0,0,0|0,0,0]=1 1555 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl 271570a_100010199719_100000755918 [0,1,0,0,0,0|0,0,0]=1 1556 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F 271570a_100010199719_100000211213 [0,1,0,0,0,0|0,0,0]=1 1557 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N 271570a_100010199719_100000185761 [0,1,0,0,0,0|0,0,0]=1 1558 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O 271570a_100010199719_100000185759 [0,1,0,0,0,0|0,0,0]=1 1559 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Br 271570a_100010199719_100000686858 [0,1,0,0,0,0|1,0,0]=2 1560 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)C 271570a_100010199719_100000754016 [0,1,0,0,0,0|1,0,0]=2 1561 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Cl 271570a_100010199719_100011356976 [0,1,0,0,0,0|1,0,0]=2 1562 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)F 271570a_100010199719_100000744514 [0,1,0,0,0,0|1,0,0]=2 1563 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)N 271570a_100010199719_100000744251 [0,1,0,0,0,0|1,0,0]=2 1564 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)O 271570a_100010199719_100000685995 [0,1,0,0,0,0|1,0,0]=2 1565 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Br 271570a_100010199719_100009814638 [0,1,0,0,0,0|1,0,0]=2 1566 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)C 271570a_100010199719_100000751577 [0,1,0,0,0,0|1,0,0]=2 1567 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl 271570a_100010199719_100000034144 [0,1,0,0,0,0|1,0,0]=2 1568 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)F 271570a_100010199719_100000748661 [0,1,0,0,0,0|1,0,0]=2 1569 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)N 271570a_100010199719_100000187370 [0,1,0,0,0,0|1,0,0]=2 1570 B14R1.502 CCOC(=O)C=Cc1ccc(nn1)C 271570a_100010199719_100011450037 [0,1,0,0,0,0|2,0,0]=3 1571 B14R1.502 CCOC(=O)C=Cc1ccc(nn1)N 271570a_100010199719_100009816609 [0,1,0,0,0,0|2,0,0]=3 1572 B14R1.502 CCOC(=O)C=Cc1cnc(=O)[nH]c1 271570a_100010199719_102495366499 [0,1,0,0,0,0|2,0,0]=3 1573 B14R1.502 CCOC(=O)C=Cc1cnc(cn1)C 271570a_100010199719_100011999403 [0,1,0,0,0,0|2,0,0]=3 1574 B14R1.502 CCOC(=O)C=Cc1cnc(cn1)F 271570a_100010199719_100009856528 [0,1,0,0,0,0|2,0,0]=3 1575 B14R1.502 CCOC(=O)C=Cc1cnc(cn1)N 271570a_100010199719_100000761932 [0,1,0,0,0,0|2,0,0]=3 1576 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)Br 271570a_100010199719_200012349914 [0,1,0,0,0,0|2,0,0]=3 1577 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)C 271570a_100010199719_100000686985 [0,1,0,0,0,0|2,0,0]=3 1578 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)F 271570a_100010199719_100000685262 [0,1,0,0,0,0|2,0,0]=3 1579 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)N 271570a_100010199719_100000760574 [0,1,0,0,0,0|2,0,0]=3 1580 B14R1.502 CCOC(=O)C=Cc1cnc(nn1)N 271570a_100010199719_100000691435 [0,1,0,0,0,0|3,0,0]=4 1581 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)Br 271570a_100010199719_100000690281 [0,1,0,0,0,0|2,0,0]=3 1582 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)C 271570a_100010199719_100011825175 [0,1,0,0,0,0|2,0,0]=3 1583 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)Cl 271570a_100010199719_100011356929 [0,1,0,0,0,0|2,0,0]=3 1584 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)F 271570a_100010199719_100000685220 [0,1,0,0,0,0|2,0,0]=3 1585 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)N 271570a_100010199719_100000068403 [0,1,0,0,0,0|2,0,0]=3 1586 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)O 271570a_100010199719_100000730009 [0,1,0,0,0,0|2,0,0]=3 1587 B14R1.502 CCOC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012353604 [0,1,0,0,0,0|0,0,2]=3 1588 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000188475 [0,1,0,0,0,0|1,0,1]=3 1589 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000188475 [0,1,0,0,0,0|1,0,1]=3 1590 B14R1.502 CCOC(=O)CNc1ccc(cc1)C 34a_100000124888_100000188475 [0,1,0,0,0,0|1,0,1]=3 1591 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000188475 [0,1,0,0,0,0|1,0,1]=3 1592 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000188475 [0,1,0,0,0,0|1,0,1]=3 1593 B14R1.502 CCOC(=O)CNc1ccc(cc1)F 34a_100000185862_100000188475 [0,1,0,0,0,0|1,0,1]=3 1594 B14R1.502 CCOC(=O)CNc1ccc(cc1)I 34a_100000185761_100000188475 [0,1,0,0,0,0|1,0,1]=3 1595 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 271570a_203496583355_200000220479 [0,1,0,0,0,0|1,0,1]=3 1596 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000188475 [0,1,0,0,0,0|1,0,1]=3 1597 B14R1.502 CCOC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000188475 [0,1,0,0,0,0|2,0,1]=4 1598 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 34a_100000185759_100000188475 [0,1,0,0,0,0|1,0,1]=3 1599 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 7a_100000185759_100000188475 [0,1,0,0,0,0|1,0,1]=3 1600 B14R1.502 CCOC(=O)COc1ccc(cc1)C 34a_100000210336_100000188475 [0,1,0,0,0,0|1,0,1]=3 1601 B14R1.502 CCOC(=O)COc1ccc(cc1)C 7a_100000210336_100000188475 [0,1,0,0,0,0|1,0,1]=3 1602 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000188475 [0,1,0,0,0,0|1,0,1]=3 1603 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000188475 [0,1,0,0,0,0|1,0,1]=3 1604 B14R1.502 CCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000188475 [0,1,0,0,0,0|1,0,1]=3 1605 B14R1.502 CCOC(=O)COc1ccc(cc1)I 34a_100000212066_100000188475 [0,1,0,0,0,0|1,0,1]=3 1606 B14R1.502 CCOC(=O)COc1ccc(cc1)I 7a_100000212066_100000188475 [0,1,0,0,0,0|1,0,1]=3 1607 B14R1.502 CCOC(=O)COc1ccc(cc1)N 34a_100000185829_100000188475 [0,1,0,0,0,0|1,0,1]=3 1608 B14R1.502 CCOC(=O)COc1ccc(cc1)O 271570a_203496583355_100000170664 [0,1,0,0,0,0|1,0,1]=3 1609 B14R1.502 CCOC(=O)COc1ccc(cn1)C 34a_100000759353_100000188475 [0,1,0,0,0,0|2,0,1]=4 1610 B14R1.502 CCOC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000188475 [0,1,0,0,0,0|2,0,1]=4 1611 B14R1.502 CCOC(=O)COc1ccc(cn1)F 34a_100000742473_100000188475 [0,1,0,0,0,0|2,0,1]=4 1612 B14R1.502 CCOC(=O)COc1ccc(cn1)N 34a_100000729260_100000188475 [0,1,0,0,0,0|2,0,1]=4 1613 B14R1.502 CCOC(=O)COc1ccc(nc1)Br 34a_100000685995_100000188475 [0,1,0,0,0,0|2,0,1]=4 1614 B14R1.502 CCOC(=O)COc1ccc(nc1)Br 7a_100000685995_100000188475 [0,1,0,0,0,0|2,0,1]=4 1615 B14R1.502 CCOC(=O)COc1ccc(nc1)C 34a_100000745506_100000188475 [0,1,0,0,0,0|2,0,1]=4 1616 B14R1.502 CCOC(=O)COc1ccc(nc1)C 7a_100000745506_100000188475 [0,1,0,0,0,0|2,0,1]=4 1617 B14R1.502 CCOC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000188475 [0,1,0,0,0,0|2,0,1]=4 1618 B14R1.502 CCOC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000188475 [0,1,0,0,0,0|2,0,1]=4 1619 B14R1.502 CCOC(=O)COc1ccc(nc1)F 34a_100000688820_100000188475 [0,1,0,0,0,0|2,0,1]=4 1620 B14R1.502 CCOC(=O)COc1ccc(nc1)F 7a_100000688820_100000188475 [0,1,0,0,0,0|2,0,1]=4 1621 B14R1.502 CCOC(=O)COc1ccc(nc1)I 34a_100000687607_100000188475 [0,1,0,0,0,0|2,0,1]=4 1622 B14R1.502 CCOC(=O)COc1ccc(nc1)I 7a_100000687607_100000188475 [0,1,0,0,0,0|2,0,1]=4 1623 B14R1.502 CCOC(=O)COc1ccc(nc1)N 34a_100015188713_100000188475 [0,1,0,0,0,0|2,0,1]=4 1624 B14R1.502 CCOC(=O)COc1ccc(nc1)N 7a_100015188713_100000188475 [0,1,0,0,0,0|2,0,1]=4 1625 B14R1.502 CCOC(=O)CSc1cc[n+](cc1)[O-] 62a_100000188475_100000039755 [0,1,0,0,0,0|2,0,1]=4 1626 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000188475_100000212171 [0,1,0,0,0,0|2,0,1]=4 1627 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000188475 [0,1,0,0,0,0|2,0,1]=4 1628 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000188475_100000752885 [0,1,0,0,0,0|1,0,1]=3 1629 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000188475 [0,1,0,0,0,0|1,0,1]=3 1630 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000186775_100000188475 [0,1,0,0,0,0|1,0,1]=3 1631 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000188475_100000186775 [0,1,0,0,0,0|1,0,1]=3 1632 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000188475_100000755918 [0,1,0,0,0,0|1,0,1]=3 1633 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000188475 [0,1,0,0,0,0|1,0,1]=3 1634 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000188475_100000211213 [0,1,0,0,0,0|1,0,1]=3 1635 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000211213_100000188475 [0,1,0,0,0,0|1,0,1]=3 1636 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000185761_100000188475 [0,1,0,0,0,0|1,0,1]=3 1637 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000188475_100000185761 [0,1,0,0,0,0|1,0,1]=3 1638 B14R1.502 CCOC(=O)CSc1ccc(cc1)O 62a_100000188475_100000185759 [0,1,0,0,0,0|1,0,1]=3 1639 B14R1.502 CCOC(=O)CSc1ccc(cn1)Br 62a_100000188475_100000686858 [0,1,0,0,0,0|2,0,1]=4 1640 B14R1.502 CCOC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000188475 [0,1,0,0,0,0|2,0,1]=4 1641 B14R1.502 CCOC(=O)CSc1ccc(cn1)C 62a_100000188475_100000754016 [0,1,0,0,0,0|2,0,1]=4 1642 B14R1.502 CCOC(=O)CSc1ccc(cn1)C 62a_100011192072_100000188475 [0,1,0,0,0,0|2,0,1]=4 1643 B14R1.502 CCOC(=O)CSc1ccc(cn1)Cl 62a_100000188475_100011356976 [0,1,0,0,0,0|2,0,1]=4 1644 B14R1.502 CCOC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000188475 [0,1,0,0,0,0|2,0,1]=4 1645 B14R1.502 CCOC(=O)CSc1ccc(cn1)F 62a_100000188475_100000744514 [0,1,0,0,0,0|2,0,1]=4 1646 B14R1.502 CCOC(=O)CSc1ccc(cn1)F 62a_100000744514_100000188475 [0,1,0,0,0,0|2,0,1]=4 1647 B14R1.502 CCOC(=O)CSc1ccc(cn1)N 62a_100000188475_100000737798 [0,1,0,0,0,0|2,0,1]=4 1648 B14R1.502 CCOC(=O)CSc1ccc(cn1)N 62a_100000737798_100000188475 [0,1,0,0,0,0|2,0,1]=4 1649 B14R1.502 CCOC(=O)CSc1ccc(cn1)O 62a_100000188475_100000744096 [0,1,0,0,0,0|2,0,1]=4 1650 B14R1.502 CCOC(=O)CSc1ccc(cn1)O 62a_100000685995_100000188475 [0,1,0,0,0,0|2,0,1]=4 1651 B14R1.502 CCOC(=O)CSc1ccc(nc1)Br 62a_100000188475_100009814638 [0,1,0,0,0,0|2,0,1]=4 1652 B14R1.502 CCOC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000188475 [0,1,0,0,0,0|2,0,1]=4 1653 B14R1.502 CCOC(=O)CSc1ccc(nc1)C 62a_100000188475_100000751577 [0,1,0,0,0,0|2,0,1]=4 1654 B14R1.502 CCOC(=O)CSc1ccc(nc1)C 62a_100000751577_100000188475 [0,1,0,0,0,0|2,0,1]=4 1655 B14R1.502 CCOC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000188475 [0,1,0,0,0,0|2,0,1]=4 1656 B14R1.502 CCOC(=O)CSc1ccc(nc1)Cl 62a_100000188475_100000034144 [0,1,0,0,0,0|2,0,1]=4 1657 B14R1.502 CCOC(=O)CSc1ccc(nc1)F 62a_100000042367_100000188475 [0,1,0,0,0,0|2,0,1]=4 1658 B14R1.502 CCOC(=O)CSc1ccc(nc1)F 62a_100000188475_100000042367 [0,1,0,0,0,0|2,0,1]=4 1659 B14R1.502 CCOC(=O)CSc1ccc(nc1)N 62a_100000187370_100000188475 [0,1,0,0,0,0|2,0,1]=4 1660 B14R1.502 CCOC(=O)CSc1ccc(nc1)N 62a_100000188475_100000187370 [0,1,0,0,0,0|2,0,1]=4 1661 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Br 22a_100016993582_100016267368 [0,1,0,0,0,0|2,0,0]=3 1662 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)C 22a_100016993582_100000716854 [0,1,0,0,0,0|2,0,0]=3 1663 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Cl 22a_100016993582_100000184863 [0,1,0,0,0,0|2,0,0]=3 1664 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)F 22a_100016993582_100000182136 [0,1,0,0,0,0|2,0,0]=3 1665 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)I 22a_100016993582_100102526154 [0,1,0,0,0,0|2,0,0]=3 1666 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)O 22a_100016993582_100016269017 [0,1,0,0,0,0|2,0,0]=3 1667 B14R1.502 CNNC(=O)C=Cc1ccc(cn1)F 22a_100016993582_100020630499 [0,1,0,0,0,0|3,0,0]=4 1668 B14R1.502 CNNC(=O)C=Cc1ccc(nc1)Br 22a_100016993582_100020588214 [0,1,0,0,0,0|3,0,0]=4 1669 B14R1.502 COCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211753 [0,1,0,0,0,0|2,0,0]=3 1670 B14R1.502 COCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211753 [0,1,0,0,0,0|2,0,0]=3 1671 B14R1.502 COCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211753 [0,1,0,0,0,0|2,0,0]=3 1672 B14R1.502 COCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211753 [0,1,0,0,0,0|3,0,0]=4 1673 B14R1.502 COCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211753 [0,1,0,0,0,0|3,0,0]=4 1674 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011216314 [0,1,0,0,0,0|2,0,0]=3 1675 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011216314 [0,1,0,0,0,0|2,0,0]=3 1676 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011216314 [0,1,0,0,0,0|2,0,0]=3 1677 B14R1.502 CSCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011216314 [0,1,0,0,0,0|3,0,0]=4 1678 B14R1.502 CSCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011216314 [0,1,0,0,0,0|3,0,0]=4 1679 B14R1.502 Cc1ccc(cc1)C=CC(=O)CC#N 1458a_100000716854_100011214920 [0,1,0,0,0,0|2,0,1]=4 1680 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCF 1458a_100000716854_100011217306 [0,1,0,0,0,0|2,0,0]=3 1681 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCO 1458a_100000716854_100000211926 [0,1,0,0,0,0|2,0,0]=3 1682 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214920 [0,1,0,0,0,0|2,0,1]=4 1683 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000184835 [0,1,0,0,0,0|2,0,1]=4 1684 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214920 [0,1,0,0,0,0|2,0,1]=4 1685 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214920 [0,1,0,0,0,0|2,0,1]=4 1686 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000184835 [0,1,0,0,0,0|2,0,1]=4 1687 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214920 [0,1,0,0,0,0|2,0,1]=4 1688 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000184835 [0,1,0,0,0,0|2,0,1]=4 1689 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCBr 6a_100000186029_100011261029 [0,1,0,0,0,0|2,0,0]=3 1690 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCCl 6a_100000186029_100000053229 [0,1,0,0,0,0|2,0,0]=3 1691 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCF 1458a_100016267368_100011217306 [0,1,0,0,0,0|2,0,0]=3 1692 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCO 1458a_100016267368_100000211926 [0,1,0,0,0,0|2,0,0]=3 1693 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCF 1458a_100000184863_100011217306 [0,1,0,0,0,0|2,0,0]=3 1694 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCO 1458a_100000184863_100000211926 [0,1,0,0,0,0|2,0,0]=3 1695 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCBr 6a_100000210084_100011261029 [0,1,0,0,0,0|2,0,0]=3 1696 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCCl 6a_100000210084_100000053229 [0,1,0,0,0,0|2,0,0]=3 1697 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCF 1458a_100000182136_100011217306 [0,1,0,0,0,0|2,0,0]=3 1698 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCO 1458a_100000182136_100000211926 [0,1,0,0,0,0|2,0,0]=3 1699 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCBr 6a_100000188517_100011261029 [0,1,0,0,0,0|2,0,0]=3 1700 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCCl 6a_100000188517_100000053229 [0,1,0,0,0,0|2,0,0]=3 1701 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCF 1458a_100102526154_100011217306 [0,1,0,0,0,0|2,0,0]=3 1702 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCO 1458a_100102526154_100000211926 [0,1,0,0,0,0|2,0,0]=3 1703 B14R1.502 O=C(C=Cc1ccc(cn1)Br)CCBr 6a_100000754260_100011261029 [0,1,0,0,0,0|3,0,0]=4 1704 B14R1.502 O=C(C=Cc1ccc(cn1)Br)CCCl 6a_100000754260_100000053229 [0,1,0,0,0,0|3,0,0]=4 1705 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCBr 6a_100011934744_100011261029 [0,1,0,0,0,0|3,0,0]=4 1706 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCCl 6a_100011934744_100000053229 [0,1,0,0,0,0|3,0,0]=4 1707 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCF 1458a_100020630499_100011217306 [0,1,0,0,0,0|3,0,0]=4 1708 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCO 1458a_100020630499_100000211926 [0,1,0,0,0,0|3,0,0]=4 1709 B14R1.502 O=C(C=Cc1ccc(nc1)Br)CCF 1458a_100020588214_100011217306 [0,1,0,0,0,0|3,0,0]=4 1710 B14R1.502 O=C(C=Cc1ccc(nc1)Br)CCO 1458a_100020588214_100000211926 [0,1,0,0,0,0|3,0,0]=4 1711 B14R1.598 C#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000184674 [0,1,0,0,0,0|1,0,2]=4 1712 B14R1.598 C#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000184674 [0,1,0,0,0,0|1,0,2]=4 1713 B14R1.598 C#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000184674 [0,1,0,0,0,0|1,0,2]=4 1714 B14R1.598 C#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000184674 [0,1,0,0,0,0|1,0,2]=4 1715 B14R1.598 C=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210623 [0,1,0,0,0,0|1,0,2]=4 1716 B14R1.598 C=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210623 [0,1,0,0,0,0|1,0,2]=4 1717 B14R1.598 C=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210623 [0,1,0,0,0,0|1,0,2]=4 1718 B14R1.598 C=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210623 [0,1,0,0,0,0|1,0,2]=4 1719 B14R1.598 CCCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210303 [0,1,0,0,0,0|1,0,2]=4 1720 B14R1.598 CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210303 [0,1,0,0,0,0|1,0,0]=2 1721 B14R1.598 CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210303 [0,1,0,0,0,0|1,0,0]=2 1722 B14R1.598 CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210303 [0,1,0,0,0,0|1,0,0]=2 1723 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [0,1,0,0,0,0|1,0,0]=2 1724 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000211992_100012161201 [0,1,0,0,0,0|1,0,2]=4 1725 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210303 [0,1,0,0,0,0|1,0,2]=4 1726 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000211992_100011713688 [0,1,0,0,0,0|1,0,2]=4 1727 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000748742_100000210303 [0,1,0,0,0,0|1,0,2]=4 1728 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210303 [0,1,0,0,0,0|1,0,2]=4 1729 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000211992_100011713703 [0,1,0,0,0,0|1,0,2]=4 1730 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000189703_100000210303 [0,1,0,0,0,0|1,0,2]=4 1731 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000211992_100000720011 [0,1,0,0,0,0|1,0,2]=4 1732 B14R1.598 CCCC(=O)CCc1ccccc1I 1458a_100000037306_100000210303 [0,1,0,0,0,0|1,0,2]=4 1733 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210303 [0,1,0,0,0,0|1,0,2]=4 1734 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000211992_100000722297 [0,1,0,0,0,0|1,0,2]=4 1735 B14R1.598 CCCC(=O)COc1ccccc1Br 1458a_100000216496_100000210303 [0,1,0,0,0,0|2,0,1]=4 1736 B14R1.598 CCCC(=O)COc1ccccc1Br 7a_100000181306_100000747444 [0,1,0,0,0,0|2,0,1]=4 1737 B14R1.598 CCCC(=O)COc1ccccc1C 1458a_100000182418_100000210303 [0,1,0,0,0,0|2,0,1]=4 1738 B14R1.598 CCCC(=O)COc1ccccc1C 7a_100000210338_100000747444 [0,1,0,0,0,0|2,0,1]=4 1739 B14R1.598 CCCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210303 [0,1,0,0,0,0|2,0,1]=4 1740 B14R1.598 CCCC(=O)COc1ccccc1Cl 7a_100000210172_100000747444 [0,1,0,0,0,0|2,0,1]=4 1741 B14R1.598 CCCC(=O)COc1ccccc1F 1458a_100000182486_100000210303 [0,1,0,0,0,0|2,0,1]=4 1742 B14R1.598 CCCC(=O)COc1ccccc1F 7a_100000210171_100000747444 [0,1,0,0,0,0|2,0,1]=4 1743 B14R1.598 CCCC(=O)COc1ccccc1I 7a_100000739446_100000747444 [0,1,0,0,0,0|2,0,1]=4 1744 B14R1.598 CCCC(=O)COc1ccccc1N 7a_100000185747_100000747444 [0,1,0,0,0,0|2,0,1]=4 1745 B14R1.598 CCCC(=O)COc1ccccc1O 1458a_100000183020_100000210303 [0,1,0,0,0,0|2,0,1]=4 1746 B14R1.598 CCCC(=O)CSc1ccccc1Br 62a_100000695589_100000747444 [0,1,0,0,0,0|2,0,1]=4 1747 B14R1.598 CCCC(=O)CSc1ccccc1Br 62a_100000747444_100000695589 [0,1,0,0,0,0|2,0,1]=4 1748 B14R1.598 CCCC(=O)CSc1ccccc1C 1458a_100000183026_100000210303 [0,1,0,0,0,0|2,0,1]=4 1749 B14R1.598 CCCC(=O)CSc1ccccc1C 62a_100000210755_100000747444 [0,1,0,0,0,0|2,0,1]=4 1750 B14R1.598 CCCC(=O)CSc1ccccc1C 62a_100000747444_100000210755 [0,1,0,0,0,0|2,0,1]=4 1751 B14R1.598 CCCC(=O)CSc1ccccc1Cl 62a_100000747444_100000764095 [0,1,0,0,0,0|2,0,1]=4 1752 B14R1.598 CCCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747444 [0,1,0,0,0,0|2,0,1]=4 1753 B14R1.598 CCCC(=O)CSc1ccccc1F 1458a_100000179528_100000210303 [0,1,0,0,0,0|2,0,1]=4 1754 B14R1.598 CCCC(=O)CSc1ccccc1F 62a_100000747444_100011215700 [0,1,0,0,0,0|2,0,1]=4 1755 B14R1.598 CCCC(=O)CSc1ccccc1F 62a_100011215700_100000747444 [0,1,0,0,0,0|2,0,1]=4 1756 B14R1.598 CCCC(=O)CSc1ccccc1N 62a_100000210017_100000747444 [0,1,0,0,0,0|2,0,1]=4 1757 B14R1.598 CCCC(=O)CSc1ccccc1N 62a_100000747444_100000210017 [0,1,0,0,0,0|2,0,1]=4 1758 B14R1.598 CCCC(=O)CSc1ccccc1O 1458a_100000695322_100000210303 [0,1,0,0,0,0|2,0,1]=4 1759 B14R1.598 CCCC(=O)CSc1ccccc1O 62a_100000739446_100000747444 [0,1,0,0,0,0|2,0,1]=4 1760 B14R1.598 CCCC(=O)CSc1ccccc1O 62a_100000747444_100000739446 [0,1,0,0,0,0|2,0,1]=4 1761 B14R1.598 CCCC(=O)NCc1ccccc1Br 11a_100000689332_100000211992 [0,1,0,0,0,0|2,0,1]=4 1762 B14R1.598 CCCC(=O)NCc1ccccc1Br 1626a_100000689332_100000211992 [0,1,0,0,0,0|2,0,1]=4 1763 B14R1.598 CCCC(=O)NCc1ccccc1Br 240690a_100000689332_100000211992 [0,1,0,0,0,0|2,0,1]=4 1764 B14R1.598 CCCC(=O)NCc1ccccc1Br 527a_100000689332_100000211992 [0,1,0,0,0,0|2,0,1]=4 1765 B14R1.598 CCCC(=O)NCc1ccccc1C 11a_100000174972_100000211992 [0,1,0,0,0,0|2,0,1]=4 1766 B14R1.598 CCCC(=O)NCc1ccccc1C 1626a_100000174972_100000211992 [0,1,0,0,0,0|2,0,1]=4 1767 B14R1.598 CCCC(=O)NCc1ccccc1C 240690a_100000174972_100000211992 [0,1,0,0,0,0|2,0,1]=4 1768 B14R1.598 CCCC(=O)NCc1ccccc1C 527a_100000174972_100000211992 [0,1,0,0,0,0|2,0,1]=4 1769 B14R1.598 CCCC(=O)NCc1ccccc1Cl 11a_100000174879_100000211992 [0,1,0,0,0,0|2,0,1]=4 1770 B14R1.598 CCCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000211992 [0,1,0,0,0,0|2,0,1]=4 1771 B14R1.598 CCCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000211992 [0,1,0,0,0,0|2,0,1]=4 1772 B14R1.598 CCCC(=O)NCc1ccccc1Cl 527a_100000174879_100000211992 [0,1,0,0,0,0|2,0,1]=4 1773 B14R1.598 CCCC(=O)NCc1ccccc1F 11a_100000174869_100000211992 [0,1,0,0,0,0|2,0,1]=4 1774 B14R1.598 CCCC(=O)NCc1ccccc1F 1626a_100000174869_100000211992 [0,1,0,0,0,0|2,0,1]=4 1775 B14R1.598 CCCC(=O)NCc1ccccc1F 240690a_100000174869_100000211992 [0,1,0,0,0,0|2,0,1]=4 1776 B14R1.598 CCCC(=O)NCc1ccccc1F 527a_100000174869_100000211992 [0,1,0,0,0,0|2,0,1]=4 1777 B14R1.598 CCCC(=O)NCc1ccccc1I 11a_100015347259_100000211992 [0,1,0,0,0,0|2,0,1]=4 1778 B14R1.598 CCCC(=O)NCc1ccccc1I 1626a_100015347259_100000211992 [0,1,0,0,0,0|2,0,1]=4 1779 B14R1.598 CCCC(=O)NCc1ccccc1I 240690a_100015347259_100000211992 [0,1,0,0,0,0|2,0,1]=4 1780 B14R1.598 CCCC(=O)NCc1ccccc1I 527a_100015347259_100000211992 [0,1,0,0,0,0|2,0,1]=4 1781 B14R1.598 CCCC(=O)NCc1ccccc1O 240690a_100000185550_100000211992 [0,1,0,0,0,0|2,0,1]=4 1782 B14R1.598 CCCC(=O)NCc1ccccc1O 527a_100000185550_100000211992 [0,1,0,0,0,0|2,0,1]=4 1783 B14R1.598 CCCC(=O)NNc1ccccc1Br 22a_100000241748_100000211992 [0,1,0,0,0,0|3,0,0]=4 1784 B14R1.598 CCCC(=O)NNc1ccccc1C 22a_100000184220_100000211992 [0,1,0,0,0,0|3,0,0]=4 1785 B14R1.598 CCCC(=O)NNc1ccccc1Cl 22a_100000683529_100000211992 [0,1,0,0,0,0|3,0,0]=4 1786 B14R1.598 CCCC(=O)NNc1ccccc1F 22a_100000239246_100000211992 [0,1,0,0,0,0|3,0,0]=4 1787 B14R1.598 CCCC(=O)NNc1ccccc1I 22a_100011218156_100000211992 [0,1,0,0,0,0|3,0,0]=4 1788 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 11a_100015525214_100000719032 [0,1,0,0,0,0|1,0,0]=2 1789 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 240690a_100015525214_100000719032 [0,1,0,0,0,0|1,0,0]=2 1790 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 11a_100015525214_100000720304 [0,1,0,0,0,0|1,0,0]=2 1791 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 240690a_100015525214_100000720304 [0,1,0,0,0,0|1,0,0]=2 1792 B14R1.598 CCNC(=O)C=Cc1ccccc1F 11a_100015525214_100016256065 [0,1,0,0,0,0|1,0,0]=2 1793 B14R1.598 CCNC(=O)C=Cc1ccccc1F 240690a_100015525214_100016256065 [0,1,0,0,0,0|1,0,0]=2 1794 B14R1.598 CCNC(=O)CCc1ccccc1Br 11a_100015525214_100000740810 [0,1,0,0,0,0|1,0,2]=4 1795 B14R1.598 CCNC(=O)CCc1ccccc1Br 240690a_100015525214_100000740810 [0,1,0,0,0,0|1,0,2]=4 1796 B14R1.598 CCNC(=O)CCc1ccccc1Br 527a_100015525214_100000740810 [0,1,0,0,0,0|1,0,2]=4 1797 B14R1.598 CCNC(=O)CCc1ccccc1C 11a_100015525214_100000748742 [0,1,0,0,0,0|1,0,2]=4 1798 B14R1.598 CCNC(=O)CCc1ccccc1C 240690a_100015525214_100000748742 [0,1,0,0,0,0|1,0,2]=4 1799 B14R1.598 CCNC(=O)CCc1ccccc1C 527a_100015525214_100000748742 [0,1,0,0,0,0|1,0,2]=4 1800 B14R1.598 CCNC(=O)CCc1ccccc1Cl 11a_100015525214_100000184300 [0,1,0,0,0,0|1,0,2]=4 1801 B14R1.598 CCNC(=O)CCc1ccccc1Cl 240690a_100015525214_100000184300 [0,1,0,0,0,0|1,0,2]=4 1802 B14R1.598 CCNC(=O)CCc1ccccc1Cl 527a_100015525214_100000184300 [0,1,0,0,0,0|1,0,2]=4 1803 B14R1.598 CCNC(=O)CCc1ccccc1F 11a_100015525214_100000189703 [0,1,0,0,0,0|1,0,2]=4 1804 B14R1.598 CCNC(=O)CCc1ccccc1F 240690a_100015525214_100000189703 [0,1,0,0,0,0|1,0,2]=4 1805 B14R1.598 CCNC(=O)CCc1ccccc1F 527a_100015525214_100000189703 [0,1,0,0,0,0|1,0,2]=4 1806 B14R1.598 CCNC(=O)CCc1ccccc1I 11a_100015525214_100000037306 [0,1,0,0,0,0|1,0,2]=4 1807 B14R1.598 CCNC(=O)CCc1ccccc1I 240690a_100015525214_100000037306 [0,1,0,0,0,0|1,0,2]=4 1808 B14R1.598 CCNC(=O)CCc1ccccc1I 527a_100015525214_100000037306 [0,1,0,0,0,0|1,0,2]=4 1809 B14R1.598 CCNC(=O)CCc1ccccc1O 11a_100015525214_100000181328 [0,1,0,0,0,0|1,0,2]=4 1810 B14R1.598 CCNC(=O)CCc1ccccc1O 240690a_100015525214_100000181328 [0,1,0,0,0,0|1,0,2]=4 1811 B14R1.598 CCNC(=O)CCc1ccccc1O 527a_100015525214_100000181328 [0,1,0,0,0,0|1,0,2]=4 1812 B14R1.598 CCNC(=O)CNc1ccccc1Br 34a_100000210017_100000183381 [0,1,0,0,0,0|2,0,1]=4 1813 B14R1.598 CCNC(=O)CNc1ccccc1C 34a_100015192222_100000183381 [0,1,0,0,0,0|2,0,1]=4 1814 B14R1.598 CCNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183381 [0,1,0,0,0,0|2,0,1]=4 1815 B14R1.598 CCNC(=O)CNc1ccccc1F 34a_100000210422_100000183381 [0,1,0,0,0,0|2,0,1]=4 1816 B14R1.598 CCNC(=O)CNc1ccccc1I 34a_100000210053_100000183381 [0,1,0,0,0,0|2,0,1]=4 1817 B14R1.598 CCNC(=O)CNc1ccccc1O 34a_100000185747_100000183381 [0,1,0,0,0,0|2,0,1]=4 1818 B14R1.598 CCNC(=O)COc1ccccc1Br 11a_100015525214_100000216496 [0,1,0,0,0,0|2,0,1]=4 1819 B14R1.598 CCNC(=O)COc1ccccc1Br 240690a_100015525214_100000216496 [0,1,0,0,0,0|2,0,1]=4 1820 B14R1.598 CCNC(=O)COc1ccccc1Br 34a_100000181306_100000183381 [0,1,0,0,0,0|2,0,1]=4 1821 B14R1.598 CCNC(=O)COc1ccccc1Br 527a_100015525214_100000216496 [0,1,0,0,0,0|2,0,1]=4 1822 B14R1.598 CCNC(=O)COc1ccccc1Br 7a_100000181306_100000183381 [0,1,0,0,0,0|2,0,1]=4 1823 B14R1.598 CCNC(=O)COc1ccccc1C 11a_100015525214_100000182418 [0,1,0,0,0,0|2,0,1]=4 1824 B14R1.598 CCNC(=O)COc1ccccc1C 240690a_100015525214_100000182418 [0,1,0,0,0,0|2,0,1]=4 1825 B14R1.598 CCNC(=O)COc1ccccc1C 34a_100000210338_100000183381 [0,1,0,0,0,0|2,0,1]=4 1826 B14R1.598 CCNC(=O)COc1ccccc1C 527a_100015525214_100000182418 [0,1,0,0,0,0|2,0,1]=4 1827 B14R1.598 CCNC(=O)COc1ccccc1C 7a_100000210338_100000183381 [0,1,0,0,0,0|2,0,1]=4 1828 B14R1.598 CCNC(=O)COc1ccccc1Cl 11a_100015525214_100000185159 [0,1,0,0,0,0|2,0,1]=4 1829 B14R1.598 CCNC(=O)COc1ccccc1Cl 240690a_100015525214_100000185159 [0,1,0,0,0,0|2,0,1]=4 1830 B14R1.598 CCNC(=O)COc1ccccc1Cl 34a_100000210172_100000183381 [0,1,0,0,0,0|2,0,1]=4 1831 B14R1.598 CCNC(=O)COc1ccccc1Cl 527a_100015525214_100000185159 [0,1,0,0,0,0|2,0,1]=4 1832 B14R1.598 CCNC(=O)COc1ccccc1Cl 7a_100000210172_100000183381 [0,1,0,0,0,0|2,0,1]=4 1833 B14R1.598 CCNC(=O)COc1ccccc1F 11a_100015525214_100000182486 [0,1,0,0,0,0|2,0,1]=4 1834 B14R1.598 CCNC(=O)COc1ccccc1F 240690a_100015525214_100000182486 [0,1,0,0,0,0|2,0,1]=4 1835 B14R1.598 CCNC(=O)COc1ccccc1F 34a_100000210171_100000183381 [0,1,0,0,0,0|2,0,1]=4 1836 B14R1.598 CCNC(=O)COc1ccccc1F 527a_100015525214_100000182486 [0,1,0,0,0,0|2,0,1]=4 1837 B14R1.598 CCNC(=O)COc1ccccc1F 7a_100000210171_100000183381 [0,1,0,0,0,0|2,0,1]=4 1838 B14R1.598 CCNC(=O)COc1ccccc1I 34a_100000739446_100000183381 [0,1,0,0,0,0|2,0,1]=4 1839 B14R1.598 CCNC(=O)COc1ccccc1I 7a_100000739446_100000183381 [0,1,0,0,0,0|2,0,1]=4 1840 B14R1.598 CCNC(=O)COc1ccccc1N 34a_100000185747_100000183381 [0,1,0,0,0,0|2,0,1]=4 1841 B14R1.598 CCNC(=O)COc1ccccc1N 7a_100000185747_100000183381 [0,1,0,0,0,0|2,0,1]=4 1842 B14R1.598 CCNC(=O)COc1ccccc1O 240690a_100015525214_100000183020 [0,1,0,0,0,0|2,0,1]=4 1843 B14R1.598 CCNC(=O)COc1ccccc1O 527a_100015525214_100000183020 [0,1,0,0,0,0|2,0,1]=4 1844 B14R1.598 CCNC(=O)CSc1ccccc1Br 62a_100000183381_100000695589 [0,1,0,0,0,0|2,0,1]=4 1845 B14R1.598 CCNC(=O)CSc1ccccc1Br 62a_100000695589_100000183381 [0,1,0,0,0,0|2,0,1]=4 1846 B14R1.598 CCNC(=O)CSc1ccccc1C 11a_100015525214_100000183026 [0,1,0,0,0,0|2,0,1]=4 1847 B14R1.598 CCNC(=O)CSc1ccccc1C 240690a_100015525214_100000183026 [0,1,0,0,0,0|2,0,1]=4 1848 B14R1.598 CCNC(=O)CSc1ccccc1C 527a_100015525214_100000183026 [0,1,0,0,0,0|2,0,1]=4 1849 B14R1.598 CCNC(=O)CSc1ccccc1C 62a_100000183381_100000210755 [0,1,0,0,0,0|2,0,1]=4 1850 B14R1.598 CCNC(=O)CSc1ccccc1C 62a_100000210755_100000183381 [0,1,0,0,0,0|2,0,1]=4 1851 B14R1.598 CCNC(=O)CSc1ccccc1Cl 62a_100000183381_100000764095 [0,1,0,0,0,0|2,0,1]=4 1852 B14R1.598 CCNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183381 [0,1,0,0,0,0|2,0,1]=4 1853 B14R1.598 CCNC(=O)CSc1ccccc1F 11a_100015525214_100000179528 [0,1,0,0,0,0|2,0,1]=4 1854 B14R1.598 CCNC(=O)CSc1ccccc1F 240690a_100015525214_100000179528 [0,1,0,0,0,0|2,0,1]=4 1855 B14R1.598 CCNC(=O)CSc1ccccc1F 62a_100000183381_100011215700 [0,1,0,0,0,0|2,0,1]=4 1856 B14R1.598 CCNC(=O)CSc1ccccc1F 62a_100011215700_100000183381 [0,1,0,0,0,0|2,0,1]=4 1857 B14R1.598 CCNC(=O)CSc1ccccc1N 62a_100000183381_100000210017 [0,1,0,0,0,0|2,0,1]=4 1858 B14R1.598 CCNC(=O)CSc1ccccc1N 62a_100000210017_100000183381 [0,1,0,0,0,0|2,0,1]=4 1859 B14R1.598 CCNC(=O)CSc1ccccc1O 240690a_100015525214_100000695322 [0,1,0,0,0,0|2,0,1]=4 1860 B14R1.598 CCNC(=O)CSc1ccccc1O 527a_100015525214_100000695322 [0,1,0,0,0,0|2,0,1]=4 1861 B14R1.598 CCNC(=O)CSc1ccccc1O 62a_100000183381_100000739446 [0,1,0,0,0,0|2,0,1]=4 1862 B14R1.598 CCNC(=O)CSc1ccccc1O 62a_100000739446_100000183381 [0,1,0,0,0,0|2,0,1]=4 1863 B14R1.598 CCNC(=O)NCc1ccccc1Br 2708a_100000689332_100015525214 [0,1,0,0,0,0|2,0,1]=4 1864 B14R1.598 CCNC(=O)NCc1ccccc1Br 2708a_100015525214_100000689332 [0,1,0,0,0,0|2,0,1]=4 1865 B14R1.598 CCNC(=O)NCc1ccccc1Br 273464a_100000689332_100015525214 [0,1,0,0,0,0|2,0,1]=4 1866 B14R1.598 CCNC(=O)NCc1ccccc1Br 273464a_100015525214_100000689332 [0,1,0,0,0,0|2,0,1]=4 1867 B14R1.598 CCNC(=O)NCc1ccccc1Br 512a_100000689332_100015525214 [0,1,0,0,0,0|2,0,1]=4 1868 B14R1.598 CCNC(=O)NCc1ccccc1Br 512a_100015525214_100000689332 [0,1,0,0,0,0|2,0,1]=4 1869 B14R1.598 CCNC(=O)NCc1ccccc1C 2708a_100000174972_100015525214 [0,1,0,0,0,0|2,0,1]=4 1870 B14R1.598 CCNC(=O)NCc1ccccc1C 2708a_100015525214_100000174972 [0,1,0,0,0,0|2,0,1]=4 1871 B14R1.598 CCNC(=O)NCc1ccccc1C 273464a_100000174972_100015525214 [0,1,0,0,0,0|2,0,1]=4 1872 B14R1.598 CCNC(=O)NCc1ccccc1C 273464a_100015525214_100000174972 [0,1,0,0,0,0|2,0,1]=4 1873 B14R1.598 CCNC(=O)NCc1ccccc1C 512a_100000174972_100015525214 [0,1,0,0,0,0|2,0,1]=4 1874 B14R1.598 CCNC(=O)NCc1ccccc1C 512a_100015525214_100000174972 [0,1,0,0,0,0|2,0,1]=4 1875 B14R1.598 CCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100015525214 [0,1,0,0,0,0|2,0,1]=4 1876 B14R1.598 CCNC(=O)NCc1ccccc1Cl 2708a_100015525214_100000174879 [0,1,0,0,0,0|2,0,1]=4 1877 B14R1.598 CCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100015525214 [0,1,0,0,0,0|2,0,1]=4 1878 B14R1.598 CCNC(=O)NCc1ccccc1Cl 273464a_100015525214_100000174879 [0,1,0,0,0,0|2,0,1]=4 1879 B14R1.598 CCNC(=O)NCc1ccccc1Cl 512a_100015525214_100000174879 [0,1,0,0,0,0|2,0,1]=4 1880 B14R1.598 CCNC(=O)NCc1ccccc1F 2708a_100000174869_100015525214 [0,1,0,0,0,0|2,0,1]=4 1881 B14R1.598 CCNC(=O)NCc1ccccc1F 2708a_100015525214_100000174869 [0,1,0,0,0,0|2,0,1]=4 1882 B14R1.598 CCNC(=O)NCc1ccccc1F 273464a_100000174869_100015525214 [0,1,0,0,0,0|2,0,1]=4 1883 B14R1.598 CCNC(=O)NCc1ccccc1F 273464a_100015525214_100000174869 [0,1,0,0,0,0|2,0,1]=4 1884 B14R1.598 CCNC(=O)NCc1ccccc1F 512a_100000174869_100015525214 [0,1,0,0,0,0|2,0,1]=4 1885 B14R1.598 CCNC(=O)NCc1ccccc1F 512a_100015525214_100000174869 [0,1,0,0,0,0|2,0,1]=4 1886 B14R1.598 CCNC(=O)NCc1ccccc1I 2708a_100015347259_100015525214 [0,1,0,0,0,0|2,0,1]=4 1887 B14R1.598 CCNC(=O)NCc1ccccc1I 2708a_100015525214_100015347259 [0,1,0,0,0,0|2,0,1]=4 1888 B14R1.598 CCNC(=O)NCc1ccccc1I 273464a_100015347259_100015525214 [0,1,0,0,0,0|2,0,1]=4 1889 B14R1.598 CCNC(=O)NCc1ccccc1I 273464a_100015525214_100015347259 [0,1,0,0,0,0|2,0,1]=4 1890 B14R1.598 CCNC(=O)NCc1ccccc1I 512a_100015347259_100015525214 [0,1,0,0,0,0|2,0,1]=4 1891 B14R1.598 CCNC(=O)NCc1ccccc1I 512a_100015525214_100015347259 [0,1,0,0,0,0|2,0,1]=4 1892 B14R1.598 CCNC(=O)NCc1ccccc1O 2708a_100000185550_100015525214 [0,1,0,0,0,0|2,0,1]=4 1893 B14R1.598 CCNC(=O)NCc1ccccc1O 2708a_100015525214_100000185550 [0,1,0,0,0,0|2,0,1]=4 1894 B14R1.598 CCNC(=O)NCc1ccccc1O 273464a_100000185550_100015525214 [0,1,0,0,0,0|2,0,1]=4 1895 B14R1.598 CCNC(=O)NCc1ccccc1O 273464a_100015525214_100000185550 [0,1,0,0,0,0|2,0,1]=4 1896 B14R1.598 CCNC(=O)NCc1ccccc1O 512a_100000185550_100015525214 [0,1,0,0,0,0|2,0,1]=4 1897 B14R1.598 CCNC(=O)NNc1ccccc1Br 273464a_100015525214_100000241748 [0,1,0,0,0,0|3,0,0]=4 1898 B14R1.598 CCNC(=O)NNc1ccccc1Br 512a_100015525214_100000241748 [0,1,0,0,0,0|3,0,0]=4 1899 B14R1.598 CCNC(=O)NNc1ccccc1C 273464a_100015525214_100000184220 [0,1,0,0,0,0|3,0,0]=4 1900 B14R1.598 CCNC(=O)NNc1ccccc1C 512a_100015525214_100000184220 [0,1,0,0,0,0|3,0,0]=4 1901 B14R1.598 CCNC(=O)NNc1ccccc1Cl 273464a_100015525214_100000683529 [0,1,0,0,0,0|3,0,0]=4 1902 B14R1.598 CCNC(=O)NNc1ccccc1Cl 512a_100015525214_100000683529 [0,1,0,0,0,0|3,0,0]=4 1903 B14R1.598 CCNC(=O)NNc1ccccc1F 273464a_100015525214_100000239246 [0,1,0,0,0,0|3,0,0]=4 1904 B14R1.598 CCNC(=O)NNc1ccccc1F 512a_100015525214_100000239246 [0,1,0,0,0,0|3,0,0]=4 1905 B14R1.598 CCNC(=O)NNc1ccccc1I 273464a_100015525214_100011218156 [0,1,0,0,0,0|3,0,0]=4 1906 B14R1.598 CCNC(=O)NNc1ccccc1I 512a_100015525214_100011218156 [0,1,0,0,0,0|3,0,0]=4 1907 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [0,1,0,0,0,0|0,0,0]=1 1908 B14R1.598 CCOC(=O)/C=C/c1cccnc1O 271570a_203496583355_200020681690 [0,1,0,0,0,0|1,0,0]=2 1909 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=O 271570a_100010199719_100009998708 [0,1,0,0,0,0|1,0,0]=2 1910 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=S 271570a_100010199719_200012280681 [0,1,0,0,0,0|1,0,0]=2 1911 B14R1.598 CCOC(=O)C=Cc1ccc[nH]c1=O 271570a_100010199719_100000050042 [0,1,0,0,0,0|1,0,0]=2 1912 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1C 271570a_100010199719_100000212160 [0,1,0,0,0,0|1,0,0]=2 1913 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1[O-] 271570a_100010199719_200000042595 [0,1,0,0,0,0|1,0,0]=2 1914 B14R1.598 CCOC(=O)C=Cc1ccccc1Br 271570a_100010199719_100000695589 [0,1,0,0,0,0|0,0,0]=1 1915 B14R1.598 CCOC(=O)C=Cc1ccccc1C 271570a_100010199719_100000210755 [0,1,0,0,0,0|0,0,0]=1 1916 B14R1.598 CCOC(=O)C=Cc1ccccc1Cl 271570a_100010199719_100000764095 [0,1,0,0,0,0|0,0,0]=1 1917 B14R1.598 CCOC(=O)C=Cc1ccccc1F 271570a_100010199719_100011215700 [0,1,0,0,0,0|0,0,0]=1 1918 B14R1.598 CCOC(=O)C=Cc1ccccc1N 271570a_100010199719_100000210017 [0,1,0,0,0,0|0,0,0]=1 1919 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [0,1,0,0,0,0|0,0,0]=1 1920 B14R1.598 CCOC(=O)C=Cc1cccnc1Br 271570a_100010199719_100010202626 [0,1,0,0,0,0|1,0,0]=2 1921 B14R1.598 CCOC(=O)C=Cc1cccnc1C 271570a_100010199719_100000751574 [0,1,0,0,0,0|1,0,0]=2 1922 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl 271570a_100010199719_100000036424 [0,1,0,0,0,0|1,0,0]=2 1923 B14R1.598 CCOC(=O)C=Cc1cccnc1F 271570a_100010199719_100009816115 [0,1,0,0,0,0|1,0,0]=2 1924 B14R1.598 CCOC(=O)C=Cc1cccnc1N 271570a_100010199719_100000045569 [0,1,0,0,0,0|1,0,0]=2 1925 B14R1.598 CCOC(=O)C=Cc1ccn[nH]c1=O 271570a_100010199719_100000087129 [0,1,0,0,0,0|2,0,0]=3 1926 B14R1.598 CCOC(=O)C=Cc1ccncc1Br 271570a_100010199719_100000726257 [0,1,0,0,0,0|1,0,0]=2 1927 B14R1.598 CCOC(=O)C=Cc1ccncc1C 271570a_100010199719_100015191297 [0,1,0,0,0,0|1,0,0]=2 1928 B14R1.598 CCOC(=O)C=Cc1ccncc1Cl 271570a_100010199719_100000708259 [0,1,0,0,0,0|1,0,0]=2 1929 B14R1.598 CCOC(=O)C=Cc1ccncc1F 271570a_100010199719_100000047030 [0,1,0,0,0,0|1,0,0]=2 1930 B14R1.598 CCOC(=O)C=Cc1ccncc1N 271570a_100010199719_100009815883 [0,1,0,0,0,0|1,0,0]=2 1931 B14R1.598 CCOC(=O)C=Cc1ccncc1O 271570a_100010199719_100009817591 [0,1,0,0,0,0|1,0,0]=2 1932 B14R1.598 CCOC(=O)C=Cc1cnccc1Br 271570a_100010199719_100010138639 [0,1,0,0,0,0|1,0,0]=2 1933 B14R1.598 CCOC(=O)C=Cc1cnccc1C 271570a_100010199719_100000761580 [0,1,0,0,0,0|1,0,0]=2 1934 B14R1.598 CCOC(=O)C=Cc1cnccc1Cl 271570a_100010199719_100009995489 [0,1,0,0,0,0|1,0,0]=2 1935 B14R1.598 CCOC(=O)C=Cc1cnccc1F 271570a_100010199719_100009820683 [0,1,0,0,0,0|1,0,0]=2 1936 B14R1.598 CCOC(=O)C=Cc1cnccc1N 271570a_100010199719_100000047001 [0,1,0,0,0,0|1,0,0]=2 1937 B14R1.598 CCOC(=O)C=Cc1cncnc1Br 271570a_100010199719_200012461658 [0,1,0,0,0,0|2,0,0]=3 1938 B14R1.598 CCOC(=O)C=Cc1cncnc1C 271570a_100010199719_100009819671 [0,1,0,0,0,0|2,0,0]=3 1939 B14R1.598 CCOC(=O)C=Cc1cncnc1Cl 271570a_100010199719_100000758962 [0,1,0,0,0,0|2,0,0]=3 1940 B14R1.598 CCOC(=O)C=Cc1cncnc1N 271570a_100010199719_100011996079 [0,1,0,0,0,0|2,0,0]=3 1941 B14R1.598 CCOC(=O)C=Cc1cncnc1O 271570a_100010199719_100000751107 [0,1,0,0,0,0|2,0,0]=3 1942 B14R1.598 CCOC(=O)C=Cc1cnncc1N 271570a_100010199719_100009829405 [0,1,0,0,0,0|2,0,0]=3 1943 B14R1.598 CCOC(=O)C=Cc1ncc[nH]c1=O 271570a_100010199719_100000763361 [0,1,0,0,0,0|2,0,0]=3 1944 B14R1.598 CCOC(=O)C=Cc1ncccc1Br 271570a_100010199719_100000696092 [0,1,0,0,0,0|1,0,0]=2 1945 B14R1.598 CCOC(=O)C=Cc1ncccc1C 271570a_100010199719_100000751373 [0,1,0,0,0,0|1,0,0]=2 1946 B14R1.598 CCOC(=O)C=Cc1ncccc1Cl 271570a_100010199719_100011356963 [0,1,0,0,0,0|1,0,0]=2 1947 B14R1.598 CCOC(=O)C=Cc1ncccc1F 271570a_100010199719_100000685392 [0,1,0,0,0,0|1,0,0]=2 1948 B14R1.598 CCOC(=O)C=Cc1ncccc1N 271570a_100010199719_100000688686 [0,1,0,0,0,0|1,0,0]=2 1949 B14R1.598 CCOC(=O)C=Cc1ncccc1O 271570a_100010199719_100000034122 [0,1,0,0,0,0|1,0,0]=2 1950 B14R1.598 CCOC(=O)C=Cc1nccnc1C 271570a_100010199719_100011999405 [0,1,0,0,0,0|2,0,0]=3 1951 B14R1.598 CCOC(=O)C=Cc1nccnc1F 271570a_100010199719_200010125657 [0,1,0,0,0,0|2,0,0]=3 1952 B14R1.598 CCOC(=O)C=Cc1nccnc1N 271570a_100010199719_100000747729 [0,1,0,0,0,0|2,0,0]=3 1953 B14R1.598 CCOC(=O)C=Cc1ncncc1C 271570a_100010199719_100011998708 [0,1,0,0,0,0|2,0,0]=3 1954 B14R1.598 CCOC(=O)C=Cc1ncncc1F 271570a_100010199719_100000069762 [0,1,0,0,0,0|2,0,0]=3 1955 B14R1.598 CCOC(=O)C=Cc1ncncc1N 271570a_100010199719_100000709731 [0,1,0,0,0,0|2,0,0]=3 1956 B14R1.598 CCOC(=O)C=Cc1nnccc1C 271570a_100010199719_100000089043 [0,1,0,0,0,0|2,0,0]=3 1957 B14R1.598 CCOC(=O)CCc1ccccc1O 271570a_203496583355_100009815309 [0,1,0,0,0,0|0,0,2]=3 1958 B14R1.598 CCOC(=O)CNc1ccccc1Br 34a_100000210017_100000188475 [0,1,0,0,0,0|1,0,1]=3 1959 B14R1.598 CCOC(=O)CNc1ccccc1C 34a_100015192222_100000188475 [0,1,0,0,0,0|1,0,1]=3 1960 B14R1.598 CCOC(=O)CNc1ccccc1Cl 34a_100000185783_100000188475 [0,1,0,0,0,0|1,0,1]=3 1961 B14R1.598 CCOC(=O)CNc1ccccc1F 34a_100000210422_100000188475 [0,1,0,0,0,0|1,0,1]=3 1962 B14R1.598 CCOC(=O)CNc1ccccc1I 34a_100000210053_100000188475 [0,1,0,0,0,0|1,0,1]=3 1963 B14R1.598 CCOC(=O)CNc1ccccc1O 34a_100000185747_100000188475 [0,1,0,0,0,0|1,0,1]=3 1964 B14R1.598 CCOC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000188475 [0,1,0,0,0,0|2,0,1]=4 1965 B14R1.598 CCOC(=O)COc1ccccc1Br 34a_100000181306_100000188475 [0,1,0,0,0,0|1,0,1]=3 1966 B14R1.598 CCOC(=O)COc1ccccc1Br 7a_100000181306_100000188475 [0,1,0,0,0,0|1,0,1]=3 1967 B14R1.598 CCOC(=O)COc1ccccc1C 34a_100000210338_100000188475 [0,1,0,0,0,0|1,0,1]=3 1968 B14R1.598 CCOC(=O)COc1ccccc1C 7a_100000210338_100000188475 [0,1,0,0,0,0|1,0,1]=3 1969 B14R1.598 CCOC(=O)COc1ccccc1Cl 34a_100000210172_100000188475 [0,1,0,0,0,0|1,0,1]=3 1970 B14R1.598 CCOC(=O)COc1ccccc1Cl 7a_100000210172_100000188475 [0,1,0,0,0,0|1,0,1]=3 1971 B14R1.598 CCOC(=O)COc1ccccc1F 34a_100000210171_100000188475 [0,1,0,0,0,0|1,0,1]=3 1972 B14R1.598 CCOC(=O)COc1ccccc1F 7a_100000210171_100000188475 [0,1,0,0,0,0|1,0,1]=3 1973 B14R1.598 CCOC(=O)COc1ccccc1I 34a_100000739446_100000188475 [0,1,0,0,0,0|1,0,1]=3 1974 B14R1.598 CCOC(=O)COc1ccccc1I 7a_100000739446_100000188475 [0,1,0,0,0,0|1,0,1]=3 1975 B14R1.598 CCOC(=O)COc1ccccc1N 34a_100000185747_100000188475 [0,1,0,0,0,0|1,0,1]=3 1976 B14R1.598 CCOC(=O)COc1ccccc1N 7a_100000185747_100000188475 [0,1,0,0,0,0|1,0,1]=3 1977 B14R1.598 CCOC(=O)COc1ccccc1O 271570a_203496583355_100000174061 [0,1,0,0,0,0|1,0,1]=3 1978 B14R1.598 CCOC(=O)COc1cccnc1Br 34a_100000744436_100000188475 [0,1,0,0,0,0|2,0,1]=4 1979 B14R1.598 CCOC(=O)COc1cccnc1Br 7a_100000744436_100000188475 [0,1,0,0,0,0|2,0,1]=4 1980 B14R1.598 CCOC(=O)COc1cccnc1C 34a_100000745507_100000188475 [0,1,0,0,0,0|2,0,1]=4 1981 B14R1.598 CCOC(=O)COc1cccnc1C 7a_100000745507_100000188475 [0,1,0,0,0,0|2,0,1]=4 1982 B14R1.598 CCOC(=O)COc1cccnc1Cl 34a_100000757616_100000188475 [0,1,0,0,0,0|2,0,1]=4 1983 B14R1.598 CCOC(=O)COc1cccnc1Cl 7a_100000757616_100000188475 [0,1,0,0,0,0|2,0,1]=4 1984 B14R1.598 CCOC(=O)COc1cccnc1F 34a_100000061740_100000188475 [0,1,0,0,0,0|2,0,1]=4 1985 B14R1.598 CCOC(=O)COc1cccnc1F 7a_100000061740_100000188475 [0,1,0,0,0,0|2,0,1]=4 1986 B14R1.598 CCOC(=O)COc1cccnc1I 34a_100000034122_100000188475 [0,1,0,0,0,0|2,0,1]=4 1987 B14R1.598 CCOC(=O)COc1cccnc1I 7a_100000034122_100000188475 [0,1,0,0,0,0|2,0,1]=4 1988 B14R1.598 CCOC(=O)COc1cccnc1N 34a_100000211975_100000188475 [0,1,0,0,0,0|2,0,1]=4 1989 B14R1.598 CCOC(=O)COc1cccnc1N 7a_100000211975_100000188475 [0,1,0,0,0,0|2,0,1]=4 1990 B14R1.598 CCOC(=O)COc1cccoc1=O 34a_100000077404_100000188475 [0,1,0,0,0,0|2,0,1]=4 1991 B14R1.598 CCOC(=O)COc1cccoc1=O 7a_100000077404_100000188475 [0,1,0,0,0,0|2,0,1]=4 1992 B14R1.598 CCOC(=O)COc1ccncc1Br 34a_100011996408_100000188475 [0,1,0,0,0,0|2,0,1]=4 1993 B14R1.598 CCOC(=O)COc1ccncc1C 34a_100000694293_100000188475 [0,1,0,0,0,0|2,0,1]=4 1994 B14R1.598 CCOC(=O)COc1ccncc1Cl 34a_100011997054_100000188475 [0,1,0,0,0,0|2,0,1]=4 1995 B14R1.598 CCOC(=O)COc1ccncc1F 34a_200000081243_100000188475 [0,1,0,0,0,0|2,0,1]=4 1996 B14R1.598 CCOC(=O)COc1cnccc1C 34a_100011997053_100000188475 [0,1,0,0,0,0|2,0,1]=4 1997 B14R1.598 CCOC(=O)COc1cnccc1C 7a_100011997053_100000188475 [0,1,0,0,0,0|2,0,1]=4 1998 B14R1.598 CCOC(=O)COc1cnccc1Cl 34a_100011996695_100000188475 [0,1,0,0,0,0|2,0,1]=4 1999 B14R1.598 CCOC(=O)COc1cnccc1I 34a_100000050107_100000188475 [0,1,0,0,0,0|2,0,1]=4 2000 B14R1.598 CCOC(=O)COc1cnccc1N 34a_100000753702_100000188475 [0,1,0,0,0,0|2,0,1]=4 2001 B14R1.598 CCOC(=O)COc1coccc1=O 34a_100000060831_100000188475 [0,1,0,0,0,0|2,0,1]=4 2002 B14R1.598 CCOC(=O)COc1ncccc1Cl 34a_100011290957_100000188475 [0,1,0,0,0,0|2,0,1]=4 2003 B14R1.598 CCOC(=O)COc1ncccc1F 34a_100011219419_100000188475 [0,1,0,0,0,0|2,0,1]=4 2004 B14R1.598 CCOC(=O)COc1ncccc1N 34a_100000746358_100000188475 [0,1,0,0,0,0|2,0,1]=4 2005 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=O 62a_100000188475_100009998708 [0,1,0,0,0,0|2,0,1]=4 2006 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000188475 [0,1,0,0,0,0|2,0,1]=4 2007 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=S 62a_100000188475_200012280681 [0,1,0,0,0,0|2,0,1]=4 2008 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000188475 [0,1,0,0,0,0|2,0,1]=4 2009 B14R1.598 CCOC(=O)CSc1cccc[n+]1C 62a_100000188475_100000212160 [0,1,0,0,0,0|2,0,1]=4 2010 B14R1.598 CCOC(=O)CSc1cccc[n+]1[O-] 62a_100000188475_200000042595 [0,1,0,0,0,0|2,0,1]=4 2011 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000188475_100000695589 [0,1,0,0,0,0|1,0,1]=3 2012 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000695589_100000188475 [0,1,0,0,0,0|1,0,1]=3 2013 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000188475_100000210755 [0,1,0,0,0,0|1,0,1]=3 2014 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000210755_100000188475 [0,1,0,0,0,0|1,0,1]=3 2015 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000188475_100000764095 [0,1,0,0,0,0|1,0,1]=3 2016 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000764095_100000188475 [0,1,0,0,0,0|1,0,1]=3 2017 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100000188475_100011215700 [0,1,0,0,0,0|1,0,1]=3 2018 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100011215700_100000188475 [0,1,0,0,0,0|1,0,1]=3 2019 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000188475_100000210017 [0,1,0,0,0,0|1,0,1]=3 2020 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000210017_100000188475 [0,1,0,0,0,0|1,0,1]=3 2021 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000188475_100000739446 [0,1,0,0,0,0|1,0,1]=3 2022 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000739446_100000188475 [0,1,0,0,0,0|1,0,1]=3 2023 B14R1.598 CCOC(=O)CSc1cccnc1Br 62a_100000188475_100010202626 [0,1,0,0,0,0|2,0,1]=4 2024 B14R1.598 CCOC(=O)CSc1cccnc1Br 62a_100010202626_100000188475 [0,1,0,0,0,0|2,0,1]=4 2025 B14R1.598 CCOC(=O)CSc1cccnc1C 62a_100000188475_100000751574 [0,1,0,0,0,0|2,0,1]=4 2026 B14R1.598 CCOC(=O)CSc1cccnc1C 62a_100000751574_100000188475 [0,1,0,0,0,0|2,0,1]=4 2027 B14R1.598 CCOC(=O)CSc1cccnc1Cl 62a_100000036424_100000188475 [0,1,0,0,0,0|2,0,1]=4 2028 B14R1.598 CCOC(=O)CSc1cccnc1Cl 62a_100000188475_100000036424 [0,1,0,0,0,0|2,0,1]=4 2029 B14R1.598 CCOC(=O)CSc1cccnc1F 62a_100000188475_100009816115 [0,1,0,0,0,0|2,0,1]=4 2030 B14R1.598 CCOC(=O)CSc1cccnc1F 62a_100009816115_100000188475 [0,1,0,0,0,0|2,0,1]=4 2031 B14R1.598 CCOC(=O)CSc1cccnc1N 62a_100000045569_100000188475 [0,1,0,0,0,0|2,0,1]=4 2032 B14R1.598 CCOC(=O)CSc1cccnc1N 62a_100000188475_100000045569 [0,1,0,0,0,0|2,0,1]=4 2033 B14R1.598 CCOC(=O)CSc1cccnc1O 62a_100000188475_100000760158 [0,1,0,0,0,0|2,0,1]=4 2034 B14R1.598 CCOC(=O)CSc1cccnc1O 62a_100000760158_100000188475 [0,1,0,0,0,0|2,0,1]=4 2035 B14R1.598 CCOC(=O)CSc1ccncc1Br 62a_100000188475_100000726257 [0,1,0,0,0,0|2,0,1]=4 2036 B14R1.598 CCOC(=O)CSc1ccncc1Br 62a_100000726257_100000188475 [0,1,0,0,0,0|2,0,1]=4 2037 B14R1.598 CCOC(=O)CSc1ccncc1C 62a_100000188475_100000765111 [0,1,0,0,0,0|2,0,1]=4 2038 B14R1.598 CCOC(=O)CSc1ccncc1C 62a_100000765111_100000188475 [0,1,0,0,0,0|2,0,1]=4 2039 B14R1.598 CCOC(=O)CSc1ccncc1Cl 62a_100000188475_100000708259 [0,1,0,0,0,0|2,0,1]=4 2040 B14R1.598 CCOC(=O)CSc1ccncc1Cl 62a_100000708259_100000188475 [0,1,0,0,0,0|2,0,1]=4 2041 B14R1.598 CCOC(=O)CSc1ccncc1F 62a_100000047030_100000188475 [0,1,0,0,0,0|2,0,1]=4 2042 B14R1.598 CCOC(=O)CSc1ccncc1F 62a_100000188475_100000047030 [0,1,0,0,0,0|2,0,1]=4 2043 B14R1.598 CCOC(=O)CSc1ccncc1N 62a_100000188475_100000756074 [0,1,0,0,0,0|2,0,1]=4 2044 B14R1.598 CCOC(=O)CSc1ccncc1N 62a_100000756074_100000188475 [0,1,0,0,0,0|2,0,1]=4 2045 B14R1.598 CCOC(=O)CSc1ccncc1O 62a_100000188475_100009817591 [0,1,0,0,0,0|2,0,1]=4 2046 B14R1.598 CCOC(=O)CSc1ccncc1O 62a_100009817591_100000188475 [0,1,0,0,0,0|2,0,1]=4 2047 B14R1.598 CCOC(=O)CSc1cnccc1Br 62a_100000188475_100010138639 [0,1,0,0,0,0|2,0,1]=4 2048 B14R1.598 CCOC(=O)CSc1cnccc1Br 62a_100010138639_100000188475 [0,1,0,0,0,0|2,0,1]=4 2049 B14R1.598 CCOC(=O)CSc1cnccc1C 62a_100000188475_100000761580 [0,1,0,0,0,0|2,0,1]=4 2050 B14R1.598 CCOC(=O)CSc1cnccc1C 62a_100000761580_100000188475 [0,1,0,0,0,0|2,0,1]=4 2051 B14R1.598 CCOC(=O)CSc1cnccc1Cl 62a_100000188475_100009995489 [0,1,0,0,0,0|2,0,1]=4 2052 B14R1.598 CCOC(=O)CSc1cnccc1Cl 62a_100009995489_100000188475 [0,1,0,0,0,0|2,0,1]=4 2053 B14R1.598 CCOC(=O)CSc1cnccc1F 62a_100000188475_100009820683 [0,1,0,0,0,0|2,0,1]=4 2054 B14R1.598 CCOC(=O)CSc1cnccc1F 62a_100009820683_100000188475 [0,1,0,0,0,0|2,0,1]=4 2055 B14R1.598 CCOC(=O)CSc1cnccc1N 62a_100000047001_100000188475 [0,1,0,0,0,0|2,0,1]=4 2056 B14R1.598 CCOC(=O)CSc1cnccc1N 62a_100000188475_100000047001 [0,1,0,0,0,0|2,0,1]=4 2057 B14R1.598 CCOC(=O)CSc1ncccc1Br 62a_100000188475_100000696092 [0,1,0,0,0,0|2,0,1]=4 2058 B14R1.598 CCOC(=O)CSc1ncccc1Br 62a_100000696092_100000188475 [0,1,0,0,0,0|2,0,1]=4 2059 B14R1.598 CCOC(=O)CSc1ncccc1C 62a_100000188475_100000751373 [0,1,0,0,0,0|2,0,1]=4 2060 B14R1.598 CCOC(=O)CSc1ncccc1C 62a_100000751373_100000188475 [0,1,0,0,0,0|2,0,1]=4 2061 B14R1.598 CCOC(=O)CSc1ncccc1Cl 62a_100000188475_100011356963 [0,1,0,0,0,0|2,0,1]=4 2062 B14R1.598 CCOC(=O)CSc1ncccc1Cl 62a_100011356963_100000188475 [0,1,0,0,0,0|2,0,1]=4 2063 B14R1.598 CCOC(=O)CSc1ncccc1F 62a_100000188475_100000685392 [0,1,0,0,0,0|2,0,1]=4 2064 B14R1.598 CCOC(=O)CSc1ncccc1F 62a_100000685392_100000188475 [0,1,0,0,0,0|2,0,1]=4 2065 B14R1.598 CCOC(=O)CSc1ncccc1N 62a_100000188475_100000688686 [0,1,0,0,0,0|2,0,1]=4 2066 B14R1.598 CCOC(=O)CSc1ncccc1N 62a_100000688686_100000188475 [0,1,0,0,0,0|2,0,1]=4 2067 B14R1.598 CCOC(=O)CSc1ncccc1O 62a_100000034122_100000188475 [0,1,0,0,0,0|2,0,1]=4 2068 B14R1.598 CCOC(=O)CSc1ncccc1O 62a_100000188475_100000034122 [0,1,0,0,0,0|2,0,1]=4 2069 B14R1.598 CNNC(=O)C=Cc1ccccc1Br 22a_100016993582_100000719032 [0,1,0,0,0,0|2,0,0]=3 2070 B14R1.598 CNNC(=O)C=Cc1ccccc1C 22a_100016993582_100016266485 [0,1,0,0,0,0|2,0,0]=3 2071 B14R1.598 CNNC(=O)C=Cc1ccccc1Cl 22a_100016993582_100000720304 [0,1,0,0,0,0|2,0,0]=3 2072 B14R1.598 CNNC(=O)C=Cc1ccccc1F 22a_100016993582_100016256065 [0,1,0,0,0,0|2,0,0]=3 2073 B14R1.598 CNNC(=O)C=Cc1ccccc1O 22a_100016993582_100016263591 [0,1,0,0,0,0|2,0,0]=3 2074 B14R1.598 N#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214920 [0,1,0,0,0,0|2,0,1]=4 2075 B14R1.598 N#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214920 [0,1,0,0,0,0|2,0,1]=4 2076 B14R1.598 N#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214920 [0,1,0,0,0,0|2,0,1]=4 2077 B14R1.598 N#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214920 [0,1,0,0,0,0|2,0,1]=4 2078 B14R1.598 O=C(C=Cc1ccccc1Br)CCF 1458a_100000719032_100011217306 [0,1,0,0,0,0|2,0,0]=3 2079 B14R1.598 O=C(C=Cc1ccccc1Br)CCO 1458a_100000719032_100000211926 [0,1,0,0,0,0|2,0,0]=3 2080 B14R1.598 O=C(C=Cc1ccccc1Cl)CCF 1458a_100000720304_100011217306 [0,1,0,0,0,0|2,0,0]=3 2081 B14R1.598 O=C(C=Cc1ccccc1Cl)CCO 1458a_100000720304_100000211926 [0,1,0,0,0,0|2,0,0]=3 2082 B14R1.598 O=C(C=Cc1ccccc1F)CCF 1458a_100016256065_100011217306 [0,1,0,0,0,0|2,0,0]=3 2083 B14R1.598 O=C(C=Cc1ccccc1F)CCO 1458a_100016256065_100000211926 [0,1,0,0,0,0|2,0,0]=3 2084 B14R1.598 O=C(C=Cc1ccccc1O)CCF 1458a_100016263591_100011217306 [0,1,0,0,0,0|2,0,0]=3 2085 B14R1.598 O=C(C=Cc1ccccc1O)CCO 1458a_100016263591_100000211926 [0,1,0,0,0,0|2,0,0]=3 2086 B14R1.756 C#CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_200000035995 [0,1,0,0,0,0|1,0,2]=4 2087 B14R1.756 CC(C#N)C(=O)C=Cc1ccccc1 1458a_100000210462_100000703298 [0,1,0,0,0,0|2,0,1]=4 2088 B14R1.756 CCC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000758301 [0,1,0,0,0,0|1,0,2]=4 2089 B14R1.756 CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000758301 [0,1,0,0,0,0|1,0,0]=2 2090 B14R1.756 CCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000758301 [0,1,0,0,0,0|2,0,0]=3 2091 B14R1.756 CCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000758301 [0,1,0,0,0,0|2,0,0]=3 2092 B14R1.756 CCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000758301 [0,1,0,0,0,0|2,0,0]=3 2093 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000758301 [0,1,0,0,0,0|1,0,2]=4 2094 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100011192722_100000765856 [0,1,0,0,0,0|1,0,2]=4 2095 B14R1.756 CCC(C)C(=O)COc1ccccc1 1458a_100000186222_100000758301 [0,1,0,0,0,0|2,0,1]=4 2096 B14R1.756 CCC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000758301 [0,1,0,0,0,0|2,0,1]=4 2097 B14R1.756 CCC(C)C(=O)NCc1ccccc1 11a_100015324214_100011192722 [0,1,0,0,0,0|2,0,1]=4 2098 B14R1.756 CCC(C)C(=O)NCc1ccccc1 1626a_100015324214_100011192722 [0,1,0,0,0,0|2,0,1]=4 2099 B14R1.756 CCC(C)C(=O)NCc1ccccc1 240690a_100015324214_100011192722 [0,1,0,0,0,0|2,0,1]=4 2100 B14R1.756 CCC(C)C(=O)NCc1ccccc1 527a_100015324214_100011192722 [0,1,0,0,0,0|2,0,1]=4 2101 B14R1.756 CCC(C)C(=O)NNc1ccccc1 22a_100015195140_100011192722 [0,1,0,0,0,0|3,0,0]=4 2102 B14R1.756 CCC(O)C(=O)CCc1ccccc1 1458a_100011196387_100000765856 [0,1,0,0,0,0|1,0,2]=4 2103 B14R1.756 CCC(O)C(=O)NCc1ccccc1 240690a_100015324214_100011196387 [0,1,0,0,0,0|2,0,1]=4 2104 B14R1.756 CCC(O)C(=O)NNc1ccccc1 22a_100015195140_100011196387 [0,1,0,0,0,0|3,0,0]=4 2105 B14R1.756 CCN(C)C(=O)C#Cc1ccccc1 240690a_100000225621_100000736102 [0,1,0,0,0,0|1,0,2]=4 2106 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 11a_100000225621_100000210462 [0,1,0,0,0,0|1,0,0]=2 2107 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225621_100000210462 [0,1,0,0,0,0|1,0,0]=2 2108 B14R1.756 CCN(C)C(=O)C=Cc1ccccn1 11a_100000225621_100000740811 [0,1,0,0,0,0|2,0,0]=3 2109 B14R1.756 CCN(C)C(=O)C=Cc1ccccn1 240690a_100000225621_100000740811 [0,1,0,0,0,0|2,0,0]=3 2110 B14R1.756 CCN(C)C(=O)C=Cc1cccnc1 11a_100000225621_100000735890 [0,1,0,0,0,0|2,0,0]=3 2111 B14R1.756 CCN(C)C(=O)C=Cc1cccnc1 240690a_100000225621_100000735890 [0,1,0,0,0,0|2,0,0]=3 2112 B14R1.756 CCN(C)C(=O)C=Cc1ccncc1 240690a_100000225621_100000682801 [0,1,0,0,0,0|2,0,0]=3 2113 B14R1.756 CCN(C)C(=O)CCc1ccccc1 11a_100000225621_100000185753 [0,1,0,0,0,0|1,0,2]=4 2114 B14R1.756 CCN(C)C(=O)CCc1ccccc1 1626a_100000225621_100000185753 [0,1,0,0,0,0|1,0,2]=4 2115 B14R1.756 CCN(C)C(=O)CCc1ccccc1 240690a_100000225621_100000185753 [0,1,0,0,0,0|1,0,2]=4 2116 B14R1.756 CCN(C)C(=O)CCc1ccccc1 527a_100000225621_100000185753 [0,1,0,0,0,0|1,0,2]=4 2117 B14R1.756 CCN(C)C(=O)CNc1ccccc1 34a_100000106764_100000738999 [0,1,0,0,0,0|2,0,1]=4 2118 B14R1.756 CCN(C)C(=O)COc1ccccc1 11a_100000225621_100000186222 [0,1,0,0,0,0|2,0,1]=4 2119 B14R1.756 CCN(C)C(=O)COc1ccccc1 1626a_100000225621_100000186222 [0,1,0,0,0,0|2,0,1]=4 2120 B14R1.756 CCN(C)C(=O)COc1ccccc1 240690a_100000225621_100000186222 [0,1,0,0,0,0|2,0,1]=4 2121 B14R1.756 CCN(C)C(=O)COc1ccccc1 34a_100000210340_100000738999 [0,1,0,0,0,0|2,0,1]=4 2122 B14R1.756 CCN(C)C(=O)COc1ccccc1 527a_100000225621_100000186222 [0,1,0,0,0,0|2,0,1]=4 2123 B14R1.756 CCN(C)C(=O)COc1ccccc1 7a_100000210340_100000738999 [0,1,0,0,0,0|2,0,1]=4 2124 B14R1.756 CCN(C)C(=O)CSc1ccccc1 11a_100000225621_100000211596 [0,1,0,0,0,0|2,0,1]=4 2125 B14R1.756 CCN(C)C(=O)CSc1ccccc1 1626a_100000225621_100000211596 [0,1,0,0,0,0|2,0,1]=4 2126 B14R1.756 CCN(C)C(=O)CSc1ccccc1 240690a_100000225621_100000211596 [0,1,0,0,0,0|2,0,1]=4 2127 B14R1.756 CCN(C)C(=O)CSc1ccccc1 527a_100000225621_100000211596 [0,1,0,0,0,0|2,0,1]=4 2128 B14R1.756 CCN(C)C(=O)CSc1ccccc1 62a_100000719477_100000738999 [0,1,0,0,0,0|2,0,1]=4 2129 B14R1.756 CCN(C)C(=O)CSc1ccccc1 62a_100000738999_100000041952 [0,1,0,0,0,0|2,0,1]=4 2130 B14R1.756 CCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000225621 [0,1,0,0,0,0|2,0,1]=4 2131 B14R1.756 CCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000225621 [0,1,0,0,0,0|2,0,1]=4 2132 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [0,1,0,0,0,0|1,0,1]=3 2133 B14R1.818 C=C(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748629 [0,1,0,0,0,0|2,0,1]=4 2134 B14R1.818 C=C(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748629 [0,1,0,0,0,0|2,0,1]=4 2135 B14R1.818 C=C(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748629 [0,1,0,0,0,0|2,0,1]=4 2136 B14R1.818 C=C(F)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009893438 [0,1,0,0,0,0|1,0,2]=4 2137 B14R1.818 CC(C)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000210624 [0,1,0,0,0,0|1,0,2]=4 2138 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [0,1,0,0,0,0|1,0,0]=2 2139 B14R1.818 CC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000210624 [0,1,0,0,0,0|2,0,0]=3 2140 B14R1.818 CC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000210624 [0,1,0,0,0,0|2,0,0]=3 2141 B14R1.818 CC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000210624 [0,1,0,0,0,0|2,0,0]=3 2142 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000210624 [0,1,0,0,0,0|1,0,2]=4 2143 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000210554_100000765856 [0,1,0,0,0,0|1,0,2]=4 2144 B14R1.818 CC(C)CC(=O)COc1ccccc1 1458a_100000186222_100000210624 [0,1,0,0,0,0|2,0,1]=4 2145 B14R1.818 CC(C)CC(=O)CSc1ccccc1 1458a_100000211596_100000210624 [0,1,0,0,0,0|2,0,1]=4 2146 B14R1.818 CC(C)CC(=O)NCc1ccccc1 11a_100015324214_100000210554 [0,1,0,0,0,0|2,0,1]=4 2147 B14R1.818 CC(C)CC(=O)NCc1ccccc1 1626a_100015324214_100000210554 [0,1,0,0,0,0|2,0,1]=4 2148 B14R1.818 CC(C)CC(=O)NCc1ccccc1 240690a_100015324214_100000210554 [0,1,0,0,0,0|2,0,1]=4 2149 B14R1.818 CC(C)CC(=O)NCc1ccccc1 527a_100015324214_100000210554 [0,1,0,0,0,0|2,0,1]=4 2150 B14R1.818 CC(C)CC(=O)NNc1ccccc1 22a_100015195140_100000210554 [0,1,0,0,0,0|3,0,0]=4 2151 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 240690a_100138425928_100000736102 [0,1,0,0,0,0|1,0,2]=4 2152 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [0,1,0,0,0,0|1,0,0]=2 2153 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [0,1,0,0,0,0|1,0,0]=2 2154 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 11a_100138425928_100000740811 [0,1,0,0,0,0|2,0,0]=3 2155 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 240690a_100138425928_100000740811 [0,1,0,0,0,0|2,0,0]=3 2156 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 11a_100138425928_100000735890 [0,1,0,0,0,0|2,0,0]=3 2157 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 240690a_100138425928_100000735890 [0,1,0,0,0,0|2,0,0]=3 2158 B14R1.818 CC(C)NC(=O)C=Cc1ccncc1 240690a_100138425928_100000682801 [0,1,0,0,0,0|2,0,0]=3 2159 B14R1.818 CC(C)NC(=O)CCc1ccccc1 11a_100138425928_100000185753 [0,1,0,0,0,0|1,0,2]=4 2160 B14R1.818 CC(C)NC(=O)CCc1ccccc1 1626a_100138425928_100000185753 [0,1,0,0,0,0|1,0,2]=4 2161 B14R1.818 CC(C)NC(=O)CCc1ccccc1 240690a_100138425928_100000185753 [0,1,0,0,0,0|1,0,2]=4 2162 B14R1.818 CC(C)NC(=O)CCc1ccccc1 527a_100138425928_100000185753 [0,1,0,0,0,0|1,0,2]=4 2163 B14R1.818 CC(C)NC(=O)CNc1ccccc1 34a_100000106764_100000183996 [0,1,0,0,0,0|2,0,1]=4 2164 B14R1.818 CC(C)NC(=O)COc1ccccc1 11a_100138425928_100000186222 [0,1,0,0,0,0|2,0,1]=4 2165 B14R1.818 CC(C)NC(=O)COc1ccccc1 1626a_100138425928_100000186222 [0,1,0,0,0,0|2,0,1]=4 2166 B14R1.818 CC(C)NC(=O)COc1ccccc1 240690a_100138425928_100000186222 [0,1,0,0,0,0|2,0,1]=4 2167 B14R1.818 CC(C)NC(=O)COc1ccccc1 34a_100000210340_100000183996 [0,1,0,0,0,0|2,0,1]=4 2168 B14R1.818 CC(C)NC(=O)COc1ccccc1 527a_100138425928_100000186222 [0,1,0,0,0,0|2,0,1]=4 2169 B14R1.818 CC(C)NC(=O)COc1ccccc1 7a_100000210340_100000183996 [0,1,0,0,0,0|2,0,1]=4 2170 B14R1.818 CC(C)NC(=O)CSc1ccccc1 11a_100138425928_100000211596 [0,1,0,0,0,0|2,0,1]=4 2171 B14R1.818 CC(C)NC(=O)CSc1ccccc1 1626a_100138425928_100000211596 [0,1,0,0,0,0|2,0,1]=4 2172 B14R1.818 CC(C)NC(=O)CSc1ccccc1 240690a_100138425928_100000211596 [0,1,0,0,0,0|2,0,1]=4 2173 B14R1.818 CC(C)NC(=O)CSc1ccccc1 527a_100138425928_100000211596 [0,1,0,0,0,0|2,0,1]=4 2174 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000183996_100000041952 [0,1,0,0,0,0|2,0,1]=4 2175 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000719477_100000183996 [0,1,0,0,0,0|2,0,1]=4 2176 B14R1.818 CC(C)NC(=O)NCc1ccccc1 2708a_100015324214_100138425928 [0,1,0,0,0,0|2,0,1]=4 2177 B14R1.818 CC(C)NC(=O)NCc1ccccc1 2708a_100138425928_100015324214 [0,1,0,0,0,0|2,0,1]=4 2178 B14R1.818 CC(C)NC(=O)NCc1ccccc1 273464a_100138425928_100015324214 [0,1,0,0,0,0|2,0,1]=4 2179 B14R1.818 CC(C)NC(=O)NCc1ccccc1 512a_100015324214_100138425928 [0,1,0,0,0,0|2,0,1]=4 2180 B14R1.818 CC(C)NC(=O)NCc1ccccc1 512a_100138425928_100015324214 [0,1,0,0,0,0|2,0,1]=4 2181 B14R1.818 CC(C)NC(=O)NNc1ccccc1 273464a_100138425928_100015195140 [0,1,0,0,0,0|3,0,0]=4 2182 B14R1.818 CC(C)NC(=O)NNc1ccccc1 512a_100138425928_100015195140 [0,1,0,0,0,0|3,0,0]=4 2183 B14R1.818 CC(C)OC(=O)CNc1ccccc1 34a_100000106764_100011215430 [0,1,0,0,0,0|1,0,1]=3 2184 B14R1.818 CC(C)OC(=O)COc1ccccc1 34a_100000210340_100011215430 [0,1,0,0,0,0|1,0,1]=3 2185 B14R1.818 CC(C)OC(=O)COc1ccccc1 7a_100000210340_100011215430 [0,1,0,0,0,0|1,0,1]=3 2186 B14R1.818 CC(C)OC(=O)COc1cccnc1 34a_100000210849_100011215430 [0,1,0,0,0,0|2,0,1]=4 2187 B14R1.818 CC(C)OC(=O)COc1cccnc1 7a_100000210849_100011215430 [0,1,0,0,0,0|2,0,1]=4 2188 B14R1.818 CC(C)OC(=O)COc1ccncc1 34a_100000212176_100011215430 [0,1,0,0,0,0|2,0,1]=4 2189 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100000719477_100011215430 [0,1,0,0,0,0|1,0,1]=3 2190 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100011215430_100000041952 [0,1,0,0,0,0|1,0,1]=3 2191 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011215430_100011216584 [0,1,0,0,0,0|2,0,1]=4 2192 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011216584_100011215430 [0,1,0,0,0,0|2,0,1]=4 2193 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100000210063_100011215430 [0,1,0,0,0,0|2,0,1]=4 2194 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100011215430_100000210063 [0,1,0,0,0,0|2,0,1]=4 2195 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100000728582_100011215430 [0,1,0,0,0,0|2,0,1]=4 2196 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100011215430_100000728582 [0,1,0,0,0,0|2,0,1]=4 2197 B14R1.818 CC(O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100011218427 [0,1,0,0,0,0|1,0,2]=4 2198 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [0,1,0,0,0,0|1,0,0]=2 2199 B14R1.818 CC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218427 [0,1,0,0,0,0|2,0,0]=3 2200 B14R1.818 CC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218427 [0,1,0,0,0,0|2,0,0]=3 2201 B14R1.818 CC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218427 [0,1,0,0,0,0|2,0,0]=3 2202 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [0,1,0,0,0,0|1,0,2]=4 2203 B14R1.818 CC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218427 [0,1,0,0,0,0|2,0,1]=4 2204 B14R1.818 CC(O)CC(=O)CSc1ccccc1 1458a_100000211596_100011218427 [0,1,0,0,0,0|2,0,1]=4 2205 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [0,1,0,0,0,0|1,0,2]=4 2206 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 240690a_100015324214_100011933948 [0,1,0,0,0,0|2,0,1]=4 2207 B14R1.818 C[C@@H](O)CC(=O)NNc1ccccc1 22a_100015195140_100011933948 [0,1,0,0,0,0|3,0,0]=4 2208 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [0,1,0,0,0,0|2,0,1]=4 2209 B14R1.818 O=C(C=Cc1ccccc1)CC(F)F 1458a_100000210462_100011934356 [0,1,0,0,0,0|2,0,0]=3 2210 B14R1.818 O=C(C=Cc1ccccc1)C[N+](=O)[O-] 1458a_100000210462_100000761209 [0,1,0,0,0,0|3,0,0]=4 2211 B14R1.818 O=C(C=Cc1ccccn1)CC(F)F 1458a_100000740811_100011934356 [0,1,0,0,0,0|3,0,0]=4 2212 B14R1.818 O=C(C=Cc1cccnc1)CC(F)F 1458a_100000735890_100011934356 [0,1,0,0,0,0|3,0,0]=4 2213 B14R1.818 O=C(C=Cc1ccncc1)CC(F)F 1458a_100000682801_100011934356 [0,1,0,0,0,0|3,0,0]=4 2214 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [0,1,0,0,0,0|2,0,1]=4 2215 B14R1.6829 CCNS(=O)(=O)C=Cc1ccccc1 40a_100015525214_100011098038 [0,1,0,0,0,0|2,0,0]=3 2216 B14R1.6829 CNNS(=O)(=O)C=Cc1ccccc1 40a_100016993582_100011098038 [0,1,0,0,0,0|3,0,0]=4 2217 B12R0.101 C/C=C/CC(=O)C=CC(=O)OCC 1458a_100000210415_100102629194 [0,0,1,0,0,0|1,0,2]=4 2218 B12R0.101 C=CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000754431 [0,0,1,0,0,0|1,0,2]=4 2219 B12R0.101 C=CCNC(=O)C=CC(=O)OCC 1626a_100020586998_100000210415 [0,0,1,0,0,0|2,0,1]=4 2220 B12R0.101 C=CCNC(=O)C=CC(=O)OCC 240690a_100020586998_100000210415 [0,0,1,0,0,0|2,0,1]=4 2221 B12R0.101 CC=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000070051 [0,0,1,0,0,0|1,0,2]=4 2222 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [0,0,0,1,0,0|1,0,0]=2 2223 B14R2.21 O=C1C=C(CCC1)c2ccccn2 271570a_100000723966_100011216584 [0,0,0,1,0,0|2,0,0]=3 2224 B14R2.21 O=C1C=C(CCC1)c2cccnc2 271570a_100000723966_100000752921 [0,0,0,1,0,0|2,0,0]=3 2225 B14R2.21 O=C1C=C(CCC1)c2cccnn2 271570a_100000723966_100016991348 [0,0,0,1,0,0|3,0,0]=4 2226 B14R2.21 O=C1C=C(CCC1)c2ccncc2 271570a_100000723966_100000035832 [0,0,0,1,0,0|2,0,0]=3 2227 B14R2.21 O=C1C=C(CCC1)c2ccncn2 271570a_100000723966_100000703185 [0,0,0,1,0,0|3,0,0]=4 2228 B14R2.21 O=C1C=C(CCC1)c2ccnnc2 271570a_100000723966_100000732662 [0,0,0,1,0,0|3,0,0]=4 2229 B14R2.21 O=C1C=C(CCC1)c2cnccn2 271570a_100000723966_100000758340 [0,0,0,1,0,0|3,0,0]=4 2230 B14R2.21 O=C1C=C(CCC1)c2cncnc2 271570a_100000723966_100011206942 [0,0,0,1,0,0|3,0,0]=4 2231 B14R2.21 O=C1C=C(CCC1)c2ncccn2 271570a_100000723966_100000211032 [0,0,0,1,0,0|3,0,0]=4 2232 B14R2.21 O=c1cc(cc[nH]1)c2ccccc2 271570a_100011218836_100009816521 [0,0,0,1,0,0|1,0,2]=4 2233 B14R2.21 O=c1cc(cn[nH]1)c2ccccc2 271570a_100011218836_100010197405 [0,0,0,1,0,0|2,0,1]=4 2234 B14R2.30 O=C1CCCC1Nc2ccccc2 34a_100000106764_100000709159 [0,0,0,1,0,0|2,0,1]=4 2235 B14R2.30 O=C1CCCC1Oc2ccccc2 34a_100000210340_100000709159 [0,0,0,1,0,0|2,0,1]=4 2236 B14R2.30 O=C1CCCC1Oc2ccccc2 7a_100000210340_100000211823 [0,0,0,1,0,0|2,0,1]=4 2237 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000211823_100000041952 [0,0,0,1,0,0|2,0,1]=4 2238 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000719477_100000211823 [0,0,0,1,0,0|2,0,1]=4 2239 B14R2.30 O=C1OCCC1Nc2ccccc2 34a_100000106764_100000211211 [0,0,0,1,0,0|1,0,1]=3 2240 B14R2.30 O=C1OCCC1Oc2ccccc2 34a_100000210340_100000211211 [0,0,0,1,0,0|1,0,1]=3 2241 B14R2.30 O=C1OCCC1Oc2ccccc2 7a_100000210340_100000211211 [0,0,0,1,0,0|1,0,1]=3 2242 B14R2.30 O=C1OCCC1Oc2cccnc2 34a_100000210849_100000211211 [0,0,0,1,0,0|2,0,1]=4 2243 B14R2.30 O=C1OCCC1Oc2cccnc2 7a_100000210849_100000211211 [0,0,0,1,0,0|2,0,1]=4 2244 B14R2.30 O=C1OCCC1Oc2ccncc2 34a_100000212176_100000211211 [0,0,0,1,0,0|2,0,1]=4 2245 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000211211_100000041952 [0,0,0,1,0,0|1,0,1]=3 2246 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000719477_100000211211 [0,0,0,1,0,0|1,0,1]=3 2247 B14R2.30 O=C1OCCC1Sc2ccccn2 62a_100000211211_100011216584 [0,0,0,1,0,0|2,0,1]=4 2248 B14R2.30 O=C1OCCC1Sc2ccccn2 62a_100011216584_100000211211 [0,0,0,1,0,0|2,0,1]=4 2249 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000210063_100000211211 [0,0,0,1,0,0|2,0,1]=4 2250 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000211211_100000210063 [0,0,0,1,0,0|2,0,1]=4 2251 B14R2.30 O=C1OCCC1Sc2ccncc2 62a_100000211211_100000728582 [0,0,0,1,0,0|2,0,1]=4 2252 B14R2.30 O=C1OCCC1Sc2ccncc2 62a_100000728582_100000211211 [0,0,0,1,0,0|2,0,1]=4 2253 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,0,0,1,0,0|1,0,2]=4 2254 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [0,0,0,1,0,0|2,0,1]=4 2255 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [0,0,0,1,0,0|1,0,2]=4 2256 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [0,0,0,1,0,0|2,0,1]=4 2257 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [0,0,0,1,0,0|2,0,1]=4 2258 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [0,0,0,1,0,0|2,0,0]=3 2259 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [0,0,0,1,0,0|2,0,0]=3 2260 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [0,0,0,1,0,0|2,0,0]=3 2261 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [0,0,0,1,0,0|3,0,0]=4 2262 B14R2.112 CCNc1ccc2cccnc2n1 27a_100015525214_100000075685 [0,0,0,1,0,0|3,0,0]=4 2263 B14R2.112 CCNc1ccc2ccncc2n1 27a_100015525214_100000020162 [0,0,0,1,0,0|3,0,0]=4 2264 B14R2.112 CCNc1ccc2cnccc2c1 34a_100000039641_100000210202 [0,0,0,1,0,0|3,0,0]=4 2265 B14R2.112 CCNc1ccc2ncccc2c1 34a_100011198106_100000210202 [0,0,0,1,0,0|3,0,0]=4 2266 B14R2.112 CCNc1ccc2ncccc2n1 27a_100015525214_100000073381 [0,0,0,1,0,0|3,0,0]=4 2267 B14R2.112 CCNc1cnc2ccccc2n1 27a_100015525214_100000756483 [0,0,0,1,0,0|3,0,0]=4 2268 B14R2.112 CCNc1ncc2ccccc2n1 27a_100015525214_100000097389 [0,0,0,1,0,0|3,0,0]=4 2269 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [0,0,0,1,0,0|1,0,0]=2 2270 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [0,0,0,1,0,0|1,0,0]=2 2271 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [0,0,0,1,0,0|2,0,0]=3 2272 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [0,0,0,1,0,0|2,0,0]=3 2273 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [0,0,0,1,0,0|2,0,0]=3 2274 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [0,0,0,1,0,0|2,0,0]=3 2275 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [0,0,0,1,0,0|2,0,0]=3 2276 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [0,0,0,1,0,0|2,0,0]=3 2277 B14R2.112 CCOc1ccc2nccnc2c1 34a_100000694412_100000210202 [0,0,0,1,0,0|3,0,0]=4 2278 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [0,0,0,1,0,0|2,0,0]=3 2279 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [0,0,0,1,0,0|2,0,0]=3 2280 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [0,0,0,1,0,0|2,1,0]=4 2281 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [0,0,0,1,0,0|2,1,0]=4 2282 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [0,0,0,1,0,0|1,1,0]=3 2283 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [0,0,0,1,0,0|1,1,0]=3 2284 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [0,0,0,1,0,0|1,1,0]=3 2285 B14R2.112 CCSc1ccc2cccnc2c1 62a_100000210202_100009816655 [0,0,0,1,0,0|2,1,0]=4 2286 B14R2.112 CCSc1ccc2cccnc2n1 62a_100000075685_100000210202 [0,0,0,1,0,0|2,1,0]=4 2287 B14R2.112 CCSc1ccc2cccnc2n1 62a_100000210202_100000075685 [0,0,0,1,0,0|2,1,0]=4 2288 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000210202_100000686496 [0,0,0,1,0,0|2,1,0]=4 2289 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000686496_100000210202 [0,0,0,1,0,0|2,1,0]=4 2290 B14R2.112 CCSc1ccc2ccncc2n1 62a_100000210202_100000020162 [0,0,0,1,0,0|2,1,0]=4 2291 B14R2.112 CCSc1ccc2cnccc2c1 62a_100000210202_100009816743 [0,0,0,1,0,0|2,1,0]=4 2292 B14R2.112 CCSc1ccc2cnccc2c1 62a_100009816743_100000210202 [0,0,0,1,0,0|2,1,0]=4 2293 B14R2.112 CCSc1ccc2ncccc2c1 62a_100000210202_100011215947 [0,0,0,1,0,0|2,1,0]=4 2294 B14R2.112 CCSc1ccc2ncccc2c1 62a_100011215947_100000210202 [0,0,0,1,0,0|2,1,0]=4 2295 B14R2.112 CCSc1ccc2ncccc2n1 62a_100000210202_100000073381 [0,0,0,1,0,0|2,1,0]=4 2296 B14R2.112 CCSc1cnc2ccccc2c1 62a_100000210202_100000737414 [0,0,0,1,0,0|2,1,0]=4 2297 B14R2.112 CCSc1cnc2ccccc2n1 62a_100000210202_100000756483 [0,0,0,1,0,0|2,1,0]=4 2298 B14R2.112 CCSc1cnc2ccccc2n1 62a_100000756483_100000210202 [0,0,0,1,0,0|2,1,0]=4 2299 B14R2.112 CCSc1ncc2ccccc2n1 62a_100000210202_100000097389 [0,0,0,1,0,0|2,1,0]=4 2300 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [0,0,0,1,0,0|3,0,0]=4 2301 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [0,0,0,1,0,0|3,0,0]=4 2302 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [0,0,0,1,0,0|3,0,0]=4 2303 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [0,0,0,1,0,0|3,0,0]=4 2304 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [0,0,0,1,0,0|3,0,0]=4 2305 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [0,0,0,1,0,0|3,0,0]=4 2306 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [0,0,0,1,0,0|3,0,0]=4 2307 B14R2.112 CNCc1ccc2ccccc2n1 207a_100102657272_100000759686 [0,0,0,1,0,0|3,0,0]=4 2308 B14R2.112 CNCc1ccc2ccccc2n1 2230a_106832991635_100000737579 [0,0,0,1,0,0|3,0,0]=4 2309 B14R2.112 CNCc1ccc2ccccc2n1 270004a_106832991635_100000759686 [0,0,0,1,0,0|3,0,0]=4 2310 B14R2.112 CNCc1ccc2ccccc2n1 34a_100102657272_100000737579 [0,0,0,1,0,0|3,0,0]=4 2311 B14R2.112 CNCc1ccc2ccccc2n1 7a_106832991635_100000737579 [0,0,0,1,0,0|3,0,0]=4 2312 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [0,0,0,1,0,0|3,0,0]=4 2313 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [0,0,0,1,0,0|3,0,0]=4 2314 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [0,0,0,1,0,0|3,0,0]=4 2315 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [0,0,0,1,0,0|3,0,0]=4 2316 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [0,0,0,1,0,0|3,0,0]=4 2317 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [0,0,0,1,0,0|3,0,0]=4 2318 B14R2.112 CSCc1ccc2ccccc2n1 62a_100000737579_200000210301 [0,0,0,1,0,0|3,0,0]=4 2319 B14R2.112 CSCc1ccc2ccccc2n1 62a_200000210301_100000737579 [0,0,0,1,0,0|3,0,0]=4 2320 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [0,0,0,1,0,0|3,0,0]=4 2321 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [0,0,0,1,0,0|3,0,0]=4 2322 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [0,0,0,1,0,0|2,0,0]=3 2323 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [0,0,0,1,0,0|2,0,0]=3 2324 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [0,0,0,1,0,0|3,0,0]=4 2325 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [0,0,0,1,0,0|3,0,0]=4 2326 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [0,0,0,1,0,0|3,0,0]=4 2327 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [0,0,0,1,0,0|3,0,0]=4 2328 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [0,0,0,1,0,0|3,0,0]=4 2329 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [0,0,0,1,0,0|3,0,0]=4 2330 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [0,0,0,1,0,0|3,0,0]=4 2331 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [0,0,0,1,0,0|3,0,0]=4 2332 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [0,0,0,1,0,0|2,1,0]=4 2333 B14R2.112 FCSc1ccc2ccccc2n1 62a_100011291633_100015361967 [0,0,0,1,0,0|2,1,0]=4 2334 B14R2.112 FCSc1ccc2ccccc2n1 62a_100015361967_100011291633 [0,0,0,1,0,0|2,1,0]=4 2335 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [0,0,0,1,0,0|3,0,0]=4 2336 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [0,0,0,1,0,0|3,0,0]=4 2337 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [0,0,0,1,0,0|3,0,0]=4 2338 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [0,0,0,1,0,0|3,0,0]=4 2339 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [0,0,0,1,0,0|3,0,0]=4 2340 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [0,0,0,1,0,0|3,0,0]=4 2341 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_100000737579_200025704644 [0,0,0,1,0,0|3,0,0]=4 2342 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_200025704644_100000737579 [0,0,0,1,0,0|3,0,0]=4 2343 B14R2.203 CNc1c(ccc2c1cccc2)Br 34a_100009817101_200000210301 [0,0,0,1,0,0|3,0,0]=4 2344 B14R2.203 CNc1c(ccc2c1cccc2)C 34a_100000688109_200000210301 [0,0,0,1,0,0|3,0,0]=4 2345 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [0,0,0,1,0,0|3,0,0]=4 2346 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,0,0,1,0,0|2,0,1]=4 2347 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,0,0,1,0,0|3,0,0]=4 2348 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,0,0,1,0,0|3,0,0]=4 2349 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,0,0,1,0,0|3,0,0]=4 2350 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,0,0,1,0,0|3,0,0]=4 2351 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,0,0,1,0,0|3,0,0]=4 2352 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,0,0,1,0,0|2,0,1]=4 2353 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_100010090040_200000210301 [0,0,0,1,0,0|3,0,0]=4 2354 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_200000210301_100010090040 [0,0,0,1,0,0|3,0,0]=4 2355 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_100000759710_200000210301 [0,0,0,1,0,0|3,0,0]=4 2356 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_200000210301_100000759710 [0,0,0,1,0,0|3,0,0]=4 2357 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_100000705303_200000210301 [0,0,0,1,0,0|3,0,0]=4 2358 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_200000210301_100000705303 [0,0,0,1,0,0|3,0,0]=4 2359 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,0,0,1,0,0|2,0,1]=4 2360 B14R2.203 Cc1ccc2ccccc2c1N[13CH3] 34a_100000688109_200025704644 [0,0,0,1,0,0|3,0,0]=4 2361 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,0,0,1,0,0|3,0,0]=4 2362 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,0,0,1,0,0|3,0,0]=4 2363 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_100000759710_200025704644 [0,0,0,1,0,0|3,0,0]=4 2364 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000759710 [0,0,0,1,0,0|3,0,0]=4 2365 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Br 34a_100009817101_200025704644 [0,0,0,1,0,0|3,0,0]=4 2366 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [0,0,0,1,0,0|3,0,0]=4 2367 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,0,0,1,0,0|2,0,1]=4 2368 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,0,0,1,0,0|3,0,0]=4 2369 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,0,0,1,0,0|3,0,0]=4 2370 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,0,0,1,0,0|3,0,0]=4 2371 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_100010090040_200025704644 [0,0,0,1,0,0|3,0,0]=4 2372 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_200025704644_100010090040 [0,0,0,1,0,0|3,0,0]=4 2373 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_100000705303_200025704644 [0,0,0,1,0,0|3,0,0]=4 2374 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_200025704644_100000705303 [0,0,0,1,0,0|3,0,0]=4 2375 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,0,0,1,0,0|2,0,1]=4 2376 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 271570a_100010068963_100000210277 [0,0,0,1,0,0|1,1,1]=4 2377 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 271570a_100011218836_100000688054 [0,0,0,1,0,0|1,1,1]=4 2378 B14R2.598 Cc1cc(n(n1)C)c2ccccc2 271570a_100010162543_100000210277 [0,0,0,1,0,0|3,0,0]=4 2379 B14R2.598 Cc1cc(n(n1)C)c2ccccc2 271570a_100011218836_100009818511 [0,0,0,1,0,0|3,0,0]=4 2380 B14R2.598 Cn1nc(cc1c2ccccc2)N 271570a_100011218836_100116209741 [0,0,0,1,0,0|3,0,0]=4 2381 B14R2.2899 O=C(CCc1ccccc1)C2CC2 1458a_100000210395_100000765856 [0,0,0,1,0,0|1,0,2]=4 2382 B14R2.2899 O=C(CNc1ccccc1)C2CC2 34a_100000106764_100000746382 [0,0,0,1,0,0|2,0,1]=4 2383 B14R2.2899 O=C(COc1ccccc1)C2CC2 34a_100000210340_100000746382 [0,0,0,1,0,0|2,0,1]=4 2384 B14R2.2899 O=C(COc1ccccc1)C2CC2 7a_100000210340_100000746382 [0,0,0,1,0,0|2,0,1]=4 2385 B14R2.2899 O=C(CSc1ccccc1)C2CC2 62a_100000719477_100000746382 [0,0,0,1,0,0|2,0,1]=4 2386 B14R2.2899 O=C(CSc1ccccc1)C2CC2 62a_100000746382_100000041952 [0,0,0,1,0,0|2,0,1]=4 2387 B14R2.2899 O=C(NCc1ccccc1)C2CC2 11a_100015324214_100000210395 [0,0,0,1,0,0|2,0,1]=4 2388 B14R2.2899 O=C(NCc1ccccc1)C2CC2 1626a_100015324214_100000210395 [0,0,0,1,0,0|2,0,1]=4 2389 B14R2.2899 O=C(NCc1ccccc1)C2CC2 240690a_100015324214_100000210395 [0,0,0,1,0,0|2,0,1]=4 2390 B14R2.2899 O=C(NCc1ccccc1)C2CC2 527a_100015324214_100000210395 [0,0,0,1,0,0|2,0,1]=4 2391 B14R2.2899 O=C(NNc1ccccc1)C2CC2 22a_100015195140_100000210395 [0,0,0,1,0,0|3,0,0]=4 2392 B14R2.33858 CCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210303 [0,0,0,1,0,0|1,0,2]=4 2393 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 11a_100015525214_200000238571 [0,0,0,1,0,0|1,0,2]=4 2394 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 240690a_100015525214_200000238571 [0,0,0,1,0,0|1,0,2]=4 2395 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 527a_100015525214_200000238571 [0,0,0,1,0,0|1,0,2]=4 2396 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,0,0,0,1,0|3,0,0]=4 2397 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,0,0,0,1,0|3,0,0]=4 2398 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,0,0,0,1,0|1,0,2]=4 2399 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,0,0,0,1,0|2,0,1]=4 2400 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,0,0,0,1,0|1,0,2]=4 2401 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,0,0,0,1,0|2,0,1]=4 2402 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,0,0,0,1,0|2,0,1]=4 2403 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,0,0,0,1,0|2,0,1]=4 2404 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,0,0,0,1,0|2,0,1]=4 2405 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,0,0,0,1,0|1,0,1]=3 2406 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,0,0,0,1,0|2,0,1]=4 2407 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,0,0,0,1,0|2,0,1]=4 2408 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,0,0,0,1,0|2,0,1]=4 2409 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,0,0,0,1,0|2,0,1]=4 2410 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,0,0,0,1,0|2,0,1]=4 2411 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,0,0,0,1,0|2,0,0]=3 2412 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,0,0,0,1,0|2,0,0]=3 2413 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,0,0,0,1,0|2,0,0]=3 2414 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,0,0,0,1,0|2,0,0]=3 2415 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,0,0,0,1,0|2,0,1]=4 2416 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,0,0,0,1,0|2,0,1]=4 2417 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,0,0,0,1,0|2,0,1]=4 2418 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,0,0,0,1,0|2,0,1]=4 2419 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,0,0,0,1,0|2,0,1]=4 2420 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,0,0,0,1,0|2,0,1]=4 2421 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,0,0,0,1,0|2,0,1]=4 2422 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,0,0,0,1,0|2,0,1]=4 2423 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,0,0,0,1,0|2,0,1]=4 2424 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,0,0,0,1,0|2,0,0]=3 2425 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,0,0,0,1,0|1,0,2]=4 2426 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,0,0,0,1,0|1,0,2]=4 2427 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,0,0,0,1,0|1,0,2]=4 2428 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,0,0,0,1,0|2,0,1]=4 2429 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,0,0,0,1,0|2,0,1]=4 2430 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,0,0,0,1,0|3,0,0]=4 2431 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,0,0,0,1,0|3,0,0]=4 2432 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,0,0,0,1,0|3,0,0]=4 2433 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,0,0,0,1,0|3,0,0]=4 2434 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,0,0,0,1,0|3,0,0]=4 2435 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,0,0,0,1,0|3,0,0]=4 2436 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,0,0,0,1,0|3,0,0]=4 2437 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,0,0,0,1,0|3,0,0]=4 2438 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,0,0,0,1,0|2,0,1]=4 2439 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,0,0,0,1,0|3,0,0]=4 2440 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,0,0,0,1,0|3,0,0]=4 2441 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,0,0,0,1,0|3,0,0]=4 2442 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,0,0,0,1,0|3,0,0]=4 2443 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,0,0,0,1,0|3,0,0]=4 2444 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,0,0,0,1,0|3,0,0]=4 2445 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,0,0,0,1,0|3,0,0]=4 2446 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,0,0,0,1,0|2,0,1]=4 2447 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,0,0,0,1,0|2,0,1]=4 2448 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,0,0,0,1,0|2,0,1]=4 2449 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,0,0,0,1,0|3,0,0]=4 2450 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,0,0,0,1,0|3,0,0]=4 2451 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,0,0,0,1,0|3,0,0]=4 2452 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,0,0,0,1,0|3,0,0]=4 2453 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,0,0,0,1,0|3,0,0]=4 2454 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,0,0,0,1,0|3,0,0]=4 2455 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,0,0,0,1,0|3,0,0]=4 2456 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,0,0,0,1,0|3,0,0]=4 2457 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,0,0,0,1,0|2,0,1]=4 2458 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,0,0,0,1,0|3,0,0]=4 2459 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,0,0,0,1,0|3,0,0]=4 2460 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,0,0,0,1,0|2,0,1]=4 2461 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,0,0,0,1,0|2,0,1]=4 2462 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,0,0,0,1,0|3,0,0]=4 2463 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,0,0,0,1,0|3,0,0]=4 2464 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,0,0,0,1,0|3,0,0]=4 2465 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,0,0,0,1,0|3,0,0]=4 2466 B12R1.51 CCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210303 [0,0,0,0,1,0|3,0,0]=4 2467 B12R1.51 CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210303 [0,0,0,0,1,0|2,0,0]=3 2468 B12R1.51 CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210303 [0,0,0,0,1,0|2,0,0]=3 2469 B12R1.51 CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210303 [0,0,0,0,1,0|2,0,0]=3 2470 B12R1.51 CCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210303 [0,0,0,0,1,0|3,0,0]=4 2471 B12R1.51 CCCC(=O)C=Cc1nccs1 1458a_100102558208_100000210303 [0,0,0,0,1,0|3,0,0]=4 2472 B12R1.51 CCCC(=O)C=Cc1nccs1 6a_100000750902_100011215381 [0,0,0,0,1,0|3,0,0]=4 2473 B12R1.51 CCNC(=O)C=Cc1c[nH]cn1 240690a_100015525214_100102678534 [0,0,0,0,1,0|3,0,0]=4 2474 B12R1.51 CCNC(=O)C=Cc1cccs1 11a_100015525214_100000182767 [0,0,0,0,1,0|2,0,0]=3 2475 B12R1.51 CCNC(=O)C=Cc1cccs1 240690a_100015525214_100000182767 [0,0,0,0,1,0|2,0,0]=3 2476 B12R1.51 CCNC(=O)C=Cc1ccoc1 11a_100015525214_100000238621 [0,0,0,0,1,0|2,0,0]=3 2477 B12R1.51 CCNC(=O)C=Cc1ccoc1 240690a_100015525214_100000238621 [0,0,0,0,1,0|2,0,0]=3 2478 B12R1.51 CCNC(=O)C=Cc1ccsc1 11a_100015525214_100000698588 [0,0,0,0,1,0|2,0,0]=3 2479 B12R1.51 CCNC(=O)C=Cc1ccsc1 240690a_100015525214_100000698588 [0,0,0,0,1,0|2,0,0]=3 2480 B12R1.51 CCNC(=O)C=Cc1ccsc1 527a_100015525214_100000698588 [0,0,0,0,1,0|2,0,0]=3 2481 B12R1.51 CCNC(=O)C=Cc1cscn1 11a_100015525214_200000747928 [0,0,0,0,1,0|3,0,0]=4 2482 B12R1.51 CCNC(=O)C=Cc1cscn1 240690a_100015525214_200000747928 [0,0,0,0,1,0|3,0,0]=4 2483 B12R1.51 CCNC(=O)C=Cc1nccs1 11a_100015525214_100102558208 [0,0,0,0,1,0|3,0,0]=4 2484 B12R1.51 CCNC(=O)C=Cc1nccs1 240690a_100015525214_100102558208 [0,0,0,0,1,0|3,0,0]=4 2485 B12R1.51 CCOC(=O)C=Cc1c[nH]cn1 271570a_100010199719_100000756875 [0,0,0,0,1,0|2,0,0]=3 2486 B12R1.51 CCOC(=O)C=Cc1cc[nH]n1 271570a_100010199719_100000062575 [0,0,0,0,1,0|2,0,0]=3 2487 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,0,0,0,1,0|1,0,0]=2 2488 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [0,0,0,0,1,0|1,0,0]=2 2489 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [0,0,0,0,1,0|1,0,0]=2 2490 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [0,0,0,0,1,0|1,0,0]=2 2491 B12R1.51 CCOC(=O)C=Cc1ccsn1 271570a_100010199719_100009818082 [0,0,0,0,1,0|2,0,0]=3 2492 B12R1.51 CCOC(=O)C=Cc1cn[nH]c1 271570a_100010199719_100000238712 [0,0,0,0,1,0|2,0,0]=3 2493 B12R1.51 CCOC(=O)C=Cc1cnco1 271570a_100010199719_100020591547 [0,0,0,0,1,0|2,0,0]=3 2494 B12R1.51 CCOC(=O)C=Cc1cncs1 271570a_100010199719_100011934649 [0,0,0,0,1,0|2,0,0]=3 2495 B12R1.51 CCOC(=O)C=Cc1cnoc1 271570a_100010199719_100009815712 [0,0,0,0,1,0|2,0,0]=3 2496 B12R1.51 CCOC(=O)C=Cc1cnsc1 271570a_100010199719_100009815736 [0,0,0,0,1,0|2,0,0]=3 2497 B12R1.51 CCOC(=O)C=Cc1cscn1 271570a_100010199719_100000751502 [0,0,0,0,1,0|2,0,0]=3 2498 B12R1.51 CCOC(=O)C=Cc1nc[nH]n1 271570a_100010199719_100000761765 [0,0,0,0,1,0|3,0,0]=4 2499 B12R1.51 CCOC(=O)C=Cc1ncc[nH]1 271570a_100010199719_100025796157 [0,0,0,0,1,0|2,0,0]=3 2500 B12R1.51 CCOC(=O)C=Cc1ncco1 271570a_100010199719_100011787736 [0,0,0,0,1,0|2,0,0]=3 2501 B12R1.51 CCOC(=O)C=Cc1nccs1 271570a_100010199719_100000211983 [0,0,0,0,1,0|2,0,0]=3 2502 B12R1.51 CCOC(=O)C=Cc1ncns1 271570a_100010199719_100000693119 [0,0,0,0,1,0|3,0,0]=4 2503 B12R1.51 CCOC(=O)C=Cc1nncs1 271570a_100010199719_100000739804 [0,0,0,0,1,0|3,0,0]=4 2504 B12R1.51 CCOC(=O)COc1ccsc1 34a_100000106738_100000188475 [0,0,0,0,1,0|2,0,1]=4 2505 B12R1.51 CCOC(=O)COc1ccsc1 7a_100000106738_100000188475 [0,0,0,0,1,0|2,0,1]=4 2506 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [0,0,0,0,1,0|2,0,1]=4 2507 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [0,0,0,0,1,0|2,0,1]=4 2508 B12R1.51 CCOC(=O)CSc1cccs1 62a_100000188475_100011215356 [0,0,0,0,1,0|2,0,1]=4 2509 B12R1.51 CCOC(=O)CSc1cccs1 62a_100011215356_100000188475 [0,0,0,0,1,0|2,0,1]=4 2510 B12R1.51 CCOC(=O)CSc1ccoc1 62a_100000188475_100011215275 [0,0,0,0,1,0|2,0,1]=4 2511 B12R1.51 CCOC(=O)CSc1ccoc1 62a_100011215275_100000188475 [0,0,0,0,1,0|2,0,1]=4 2512 B12R1.51 CCOC(=O)CSc1ccsc1 62a_100000188475_100000738268 [0,0,0,0,1,0|2,0,1]=4 2513 B12R1.51 CCOC(=O)CSc1ccsc1 62a_100000738268_100000188475 [0,0,0,0,1,0|2,0,1]=4 2514 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [0,0,0,0,1,0|3,0,0]=4 2515 B12R1.51 CNNC(=O)C=Cc1cccs1 22a_100016993582_100000182767 [0,0,0,0,1,0|3,0,0]=4 2516 B12R1.51 CNNC(=O)C=Cc1ccoc1 22a_100016993582_100000238621 [0,0,0,0,1,0|3,0,0]=4 2517 B12R1.51 CNNC(=O)C=Cc1ccsc1 22a_100016993582_100000698588 [0,0,0,0,1,0|3,0,0]=4 2518 B12R1.51 O=C(C=Cc1cccs1)CCF 1458a_100000182767_100011217306 [0,0,0,0,1,0|3,0,0]=4 2519 B12R1.51 O=C(C=Cc1cccs1)CCO 1458a_100000182767_100000211926 [0,0,0,0,1,0|3,0,0]=4 2520 B12R1.51 O=C(C=Cc1ccoc1)CCF 1458a_100000238621_100011217306 [0,0,0,0,1,0|3,0,0]=4 2521 B12R1.51 O=C(C=Cc1ccoc1)CCO 1458a_100000238621_100000211926 [0,0,0,0,1,0|3,0,0]=4 2522 B12R1.51 O=C(C=Cc1ccsc1)CCF 1458a_100000698588_100011217306 [0,0,0,0,1,0|3,0,0]=4 2523 B12R1.51 O=C(C=Cc1ccsc1)CCO 1458a_100000698588_100000211926 [0,0,0,0,1,0|3,0,0]=4 2524 B14R1.520 C#CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000184674 [0,0,0,0,0,1|1,0,2]=4 2525 B14R1.520 C#CCC(=O)C/C=C/c1ccccc1 1458a_100011220946_100016265936 [0,0,0,0,0,1|1,0,2]=4 2526 B14R1.520 C#CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000184674 [0,0,0,0,0,1|1,0,2]=4 2527 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100000210193_100016265936 [0,0,0,0,0,1|1,0,2]=4 2528 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210623 [0,0,0,0,0,1|1,0,2]=4 2529 B14R1.520 C=CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210623 [0,0,0,0,0,1|1,0,2]=4 2530 B14R1.520 CC#CC(=O)C/C=C/c1ccccc1 1458a_100000763181_100016265936 [0,0,0,0,0,1|1,0,1]=3 2531 B14R1.520 CC/C=C(\C)/C=NNc1ccccc1 4a_100015195140_100020678925 [0,0,0,0,0,1|3,0,0]=4 2532 B14R1.520 CC=CC(=O)C/C=C/c1ccccc1 1458a_100000210699_100016265936 [0,0,0,0,0,1|1,0,1]=3 2533 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100000211992_100016265936 [0,0,0,0,0,1|1,0,0]=2 2534 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210303 [0,0,0,0,0,1|1,0,0]=2 2535 B14R1.520 CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210303 [0,0,0,0,0,1|1,0,0]=2 2536 B14R1.520 CCCC(=O)CC#Cc1ccccc1 1458a_100000211992_100011352542 [0,0,0,0,0,1|1,0,2]=4 2537 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [0,0,0,0,0,1|1,0,2]=4 2538 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [0,0,0,0,0,1|1,0,2]=4 2539 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210303 [0,0,0,0,0,1|1,0,2]=4 2540 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000211992_100000184471 [0,0,0,0,0,1|1,0,2]=4 2541 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210303 [0,0,0,0,0,1|1,0,2]=4 2542 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000211992_100000246102 [0,0,0,0,0,1|1,0,2]=4 2543 B14R1.520 CCCC(=O)CNCc1ccccc1 2230a_100015324214_100000747444 [0,0,0,0,0,1|1,0,2]=4 2544 B14R1.520 CCCC(=O)COCc1ccccc1 1458a_100000230186_100000210303 [0,0,0,0,0,1|1,0,2]=4 2545 B14R1.520 CCCC(=O)COCc1ccccc1 7a_100000210790_100000747444 [0,0,0,0,0,1|1,0,2]=4 2546 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210303 [0,0,0,0,0,1|1,0,2]=4 2547 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000211992_200011217039 [0,0,0,0,0,1|1,0,2]=4 2548 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000211182_100000747444 [0,0,0,0,0,1|1,0,2]=4 2549 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000747444_100015291786 [0,0,0,0,0,1|1,0,2]=4 2550 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [0,0,0,0,0,1|1,0,2]=4 2551 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [0,0,0,0,0,1|1,0,2]=4 2552 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [0,0,0,0,0,1|1,0,2]=4 2553 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [0,0,0,0,0,1|1,0,2]=4 2554 B14R1.520 CCCC(=O)NN=Cc1ccccc1 4a_100000189770_100015611070 [0,0,0,0,0,1|2,0,0]=3 2555 B14R1.520 CCCC(=O)NN=Cc1ccccn1 4a_100000189770_100000209966 [0,0,0,0,0,1|3,0,0]=4 2556 B14R1.520 CCCC(=O)NN=Cc1cccnc1 4a_100000189770_100000209961 [0,0,0,0,0,1|3,0,0]=4 2557 B14R1.520 CCCC(=O)NN=Cc1ccncc1 4a_100000189770_100000186114 [0,0,0,0,0,1|3,0,0]=4 2558 B14R1.520 CCCC(=O)NNCc1ccccc1 22a_100000007032_100000211992 [0,0,0,0,0,1|2,0,1]=4 2559 B14R1.520 CCCC(=O)OCNc1ccccc1 34a_100000106764_100000034017 [0,0,0,0,0,1|2,0,1]=4 2560 B14R1.520 CCCC(=O)OCOc1ccccc1 34a_100000210340_100000034017 [0,0,0,0,0,1|2,0,1]=4 2561 B14R1.520 CCCC(=O)OCSc1ccccc1 62a_100000719477_100000034017 [0,0,0,0,0,1|2,0,1]=4 2562 B14R1.520 CCCN(C)C/C=C/c1ccccc1 2230a_100000747261_100016265936 [0,0,0,0,0,1|3,0,0]=4 2563 B14R1.520 CCCN(C)C/C=C/c1ccccc1 2230a_100020603570_200000210301 [0,0,0,0,0,1|3,0,0]=4 2564 B14R1.520 CCCN(C)C/C=C/c1ccccc1 269982a_100000747261_100016265936 [0,0,0,0,0,1|3,0,0]=4 2565 B14R1.520 CCCN(C)C/C=C/c1ccccc1 269982a_100020603570_200000210301 [0,0,0,0,0,1|3,0,0]=4 2566 B14R1.520 CCCN(C)C/C=C/c1ccccc1 34a_100020603570_200000210301 [0,0,0,0,0,1|3,0,0]=4 2567 B14R1.520 CCCN(C)CC=Cc1ccccc1 270004a_100000747261_100000210105 [0,0,0,0,0,1|3,0,0]=4 2568 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 2230a_100020603570_200025704644 [0,0,0,0,0,1|3,0,0]=4 2569 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 269982a_100020603570_200025704644 [0,0,0,0,0,1|3,0,0]=4 2570 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 34a_100020603570_200025704644 [0,0,0,0,0,1|3,0,0]=4 2571 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 11a_100015525214_100011219626 [0,0,0,0,0,1|1,0,0]=2 2572 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 240690a_100015525214_100011219626 [0,0,0,0,0,1|1,0,0]=2 2573 B14R1.520 CCNC(=O)C=CSc1ccccc1 11a_100015525214_100016262050 [0,0,0,0,0,1|1,0,0]=2 2574 B14R1.520 CCNC(=O)C=CSc1ccccc1 240690a_100015525214_100016262050 [0,0,0,0,0,1|1,0,0]=2 2575 B14R1.520 CCNC(=O)CCCc1ccccc1 11a_100015525214_100011207963 [0,0,0,0,0,1|1,0,2]=4 2576 B14R1.520 CCNC(=O)CCCc1ccccc1 240690a_100015525214_100011207963 [0,0,0,0,0,1|1,0,2]=4 2577 B14R1.520 CCNC(=O)CCCc1ccccc1 527a_100015525214_100011207963 [0,0,0,0,0,1|1,0,2]=4 2578 B14R1.520 CCNC(=O)CCOc1ccccc1 11a_100015525214_100000182761 [0,0,0,0,0,1|1,0,2]=4 2579 B14R1.520 CCNC(=O)CCOc1ccccc1 240690a_100015525214_100000182761 [0,0,0,0,0,1|1,0,2]=4 2580 B14R1.520 CCNC(=O)CCOc1ccccc1 7a_100000210340_100000737597 [0,0,0,0,0,1|1,0,2]=4 2581 B14R1.520 CCNC(=O)CCSc1ccccc1 11a_100015525214_100000182436 [0,0,0,0,0,1|1,0,2]=4 2582 B14R1.520 CCNC(=O)CCSc1ccccc1 240690a_100015525214_100000182436 [0,0,0,0,0,1|1,0,2]=4 2583 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000719477_100000737597 [0,0,0,0,0,1|1,0,2]=4 2584 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000737597_100000041952 [0,0,0,0,0,1|1,0,2]=4 2585 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183381 [0,0,0,0,0,1|1,0,2]=4 2586 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100016988866_100015291786 [0,0,0,0,0,1|1,0,2]=4 2587 B14R1.520 CCNC(=O)CNCc1ccccc1 270004a_100016988866_100015611070 [0,0,0,0,0,1|1,0,2]=4 2588 B14R1.520 CCNC(=O)CNCc1ccccc1 34a_100015324214_100000183381 [0,0,0,0,0,1|1,0,2]=4 2589 B14R1.520 CCNC(=O)COCc1ccccc1 11a_100015525214_100000230186 [0,0,0,0,0,1|1,0,2]=4 2590 B14R1.520 CCNC(=O)COCc1ccccc1 240690a_100015525214_100000230186 [0,0,0,0,0,1|1,0,2]=4 2591 B14R1.520 CCNC(=O)COCc1ccccc1 34a_100000210790_100000183381 [0,0,0,0,0,1|1,0,2]=4 2592 B14R1.520 CCNC(=O)COCc1ccccc1 527a_100015525214_100000230186 [0,0,0,0,0,1|1,0,2]=4 2593 B14R1.520 CCNC(=O)COCc1ccccc1 7a_100000210790_100000183381 [0,0,0,0,0,1|1,0,2]=4 2594 B14R1.520 CCNC(=O)CSCc1ccccc1 11a_100015525214_100000150264 [0,0,0,0,0,1|1,0,2]=4 2595 B14R1.520 CCNC(=O)CSCc1ccccc1 240690a_100015525214_100000150264 [0,0,0,0,0,1|1,0,2]=4 2596 B14R1.520 CCNC(=O)CSCc1ccccc1 527a_100015525214_100000150264 [0,0,0,0,0,1|1,0,2]=4 2597 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000183381_100015291786 [0,0,0,0,0,1|1,0,2]=4 2598 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000211182_100000183381 [0,0,0,0,0,1|1,0,2]=4 2599 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100000106460_100015525214 [0,0,0,0,0,1|1,0,2]=4 2600 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100015525214_100000106460 [0,0,0,0,0,1|1,0,2]=4 2601 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100000106460_100015525214 [0,0,0,0,0,1|1,0,2]=4 2602 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100015525214_100000106460 [0,0,0,0,0,1|1,0,2]=4 2603 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100000106460_100015525214 [0,0,0,0,0,1|1,0,2]=4 2604 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100015525214_100000106460 [0,0,0,0,0,1|1,0,2]=4 2605 B14R1.520 CCNC(=O)NNCc1ccccc1 273464a_100015525214_100000007032 [0,0,0,0,0,1|2,0,1]=4 2606 B14R1.520 CCNC(=O)NNCc1ccccc1 512a_100015525214_100000007032 [0,0,0,0,0,1|2,0,1]=4 2607 B14R1.520 CCOC(=O)C=NNc1ccccc1 4a_100015195140_100000742314 [0,0,0,0,0,1|1,0,0]=2 2608 B14R1.520 CCOC(=O)C=NNc1ccccn1 4a_100000183288_100000742314 [0,0,0,0,0,1|2,0,0]=3 2609 B14R1.520 CCOC(=O)C=NNc1cccnc1 4a_100000728903_100000742314 [0,0,0,0,0,1|2,0,0]=3 2610 B14R1.520 CCOC(=O)C=NNc1cccnn1 4a_100000757824_100000742314 [0,0,0,0,0,1|3,0,0]=4 2611 B14R1.520 CCOC(=O)C=NNc1ccncc1 4a_100000698918_100000742314 [0,0,0,0,0,1|2,0,0]=3 2612 B14R1.520 CCOC(=O)C=NNc1ccncn1 4a_100011438088_100000742314 [0,0,0,0,0,1|3,0,0]=4 2613 B14R1.520 CCOC(=O)C=NNc1cnccn1 4a_100000736894_100000742314 [0,0,0,0,0,1|3,0,0]=4 2614 B14R1.520 CCOC(=O)C=NNc1ncccn1 4a_100000736892_100000742314 [0,0,0,0,0,1|3,0,0]=4 2615 B14R1.520 CCOC(=O)CCNc1ccccc1 34a_100000106764_100000765890 [0,0,0,0,0,1|0,0,2]=3 2616 B14R1.520 CCOC(=O)CCOc1ccccc1 34a_100000210340_100000765890 [0,0,0,0,0,1|0,0,2]=3 2617 B14R1.520 CCOC(=O)CCOc1ccccc1 7a_100000210340_100011206558 [0,0,0,0,0,1|0,0,2]=3 2618 B14R1.520 CCOC(=O)CCOc1cccnc1 34a_100000210849_100000765890 [0,0,0,0,0,1|1,0,2]=4 2619 B14R1.520 CCOC(=O)CCOc1cccnc1 7a_100000210849_100011206558 [0,0,0,0,0,1|1,0,2]=4 2620 B14R1.520 CCOC(=O)CCOc1ccncc1 34a_100000212176_100000765890 [0,0,0,0,0,1|1,0,2]=4 2621 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000719477_100000765890 [0,0,0,0,0,1|0,0,2]=3 2622 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000765890_100000041952 [0,0,0,0,0,1|0,0,2]=3 2623 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100000765890_100011216584 [0,0,0,0,0,1|1,0,2]=4 2624 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100011216584_100000765890 [0,0,0,0,0,1|1,0,2]=4 2625 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000210063_100000765890 [0,0,0,0,0,1|1,0,2]=4 2626 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000765890_100000210063 [0,0,0,0,0,1|1,0,2]=4 2627 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000728582_100000765890 [0,0,0,0,0,1|1,0,2]=4 2628 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000765890_100000728582 [0,0,0,0,0,1|1,0,2]=4 2629 B14R1.520 CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000188475 [0,0,0,0,0,1|0,0,2]=3 2630 B14R1.520 CCOC(=O)CNCc1ccccc1 34a_100015324214_100000188475 [0,0,0,0,0,1|0,0,2]=3 2631 B14R1.520 CCOC(=O)COCc1ccccc1 34a_100000210790_100000188475 [0,0,0,0,0,1|0,0,2]=3 2632 B14R1.520 CCOC(=O)COCc1ccccc1 7a_100000210790_100000188475 [0,0,0,0,0,1|0,0,2]=3 2633 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000188475_100015291786 [0,0,0,0,0,1|0,0,2]=3 2634 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000211182_100000188475 [0,0,0,0,0,1|0,0,2]=3 2635 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000188475_100000721315 [0,0,0,0,0,1|1,0,2]=4 2636 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000721315_100000188475 [0,0,0,0,0,1|1,0,2]=4 2637 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000188475_100000741622 [0,0,0,0,0,1|1,0,2]=4 2638 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000741622_100000188475 [0,0,0,0,0,1|1,0,2]=4 2639 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100000188475_100015193705 [0,0,0,0,0,1|1,0,2]=4 2640 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100015193705_100000188475 [0,0,0,0,0,1|1,0,2]=4 2641 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [0,0,0,0,0,1|1,0,1]=3 2642 B14R1.520 CCOC(=O)OCSc1ccccn1 62a_100011216584_100000075025 [0,0,0,0,0,1|2,0,1]=4 2643 B14R1.520 CCOC(=O)OCSc1cccnc1 62a_100000210063_100000075025 [0,0,0,0,0,1|2,0,1]=4 2644 B14R1.520 CCOC(=O)OCSc1ccncc1 62a_100000728582_100000075025 [0,0,0,0,0,1|2,0,1]=4 2645 B14R1.520 CNNC(=O)C/C=C/c1ccccc1 22a_100016993582_100011219626 [0,0,0,0,0,1|2,0,0]=3 2646 B14R1.520 CNNC(=O)C=CSc1ccccc1 22a_100016993582_100016262050 [0,0,0,0,0,1|2,0,0]=3 2647 B14R1.520 COCC(=O)C/C=C/c1ccccc1 1458a_100000210968_100016265936 [0,0,0,0,0,1|2,0,0]=3 2648 B14R1.520 COCC(=O)NN=Cc1ccccc1 4a_100000216845_100015611070 [0,0,0,0,0,1|3,0,0]=4 2649 B14R1.520 CSCC(=O)C/C=C/c1ccccc1 1458a_100000184570_100016265936 [0,0,0,0,0,1|2,0,0]=3 2650 B14R1.520 N#CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011214920 [0,0,0,0,0,1|2,0,1]=4 2651 B14R1.520 N#CCC(=O)C/C=C/c1ccccc1 1458a_100051588842_100016265936 [0,0,0,0,0,1|2,0,1]=4 2652 B14R1.520 N#CCC(=O)C=CSc1ccccc1 1458a_100016262050_100011214920 [0,0,0,0,0,1|2,0,1]=4 2653 B14R1.520 O=C(C/C=C/c1ccccc1)CCF 1458a_100011219626_100011217306 [0,0,0,0,0,1|2,0,0]=3 2654 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011216618_100016265936 [0,0,0,0,0,1|2,0,0]=3 2655 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011219626_100000211926 [0,0,0,0,0,1|2,0,0]=3 2656 B14R1.520 O=C(C=CBr)C/C=C/c1ccccc1 1458a_100016273825_100016265936 [0,0,0,0,0,1|2,0,1]=4 2657 B14R1.520 O=C(C=CCl)C/C=C/c1ccccc1 1458a_200016279998_100016265936 [0,0,0,0,0,1|2,0,1]=4 2658 B14R1.520 O=C(C=CI)C/C=C/c1ccccc1 1458a_100016256311_100016265936 [0,0,0,0,0,1|2,0,1]=4 2659 B14R1.520 O=C(C=CSc1ccccc1)CCF 1458a_100016262050_100011217306 [0,0,0,0,0,1|2,0,0]=3 2660 B14R1.520 O=C(C=CSc1ccccc1)CCO 1458a_100016262050_100000211926 [0,0,0,0,0,1|2,0,0]=3 2661 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [1,0,1,0,0,0|1,0,1]=4 2662 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [2,0,0,0,0,0|2,0,0]=4 2663 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [2,0,0,0,0,0|0,0,1]=3 2664 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [2,0,0,0,0,0|1,0,1]=4 2665 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [2,0,0,0,0,0|1,0,1]=4 2666 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [2,0,0,0,0,0|1,0,1]=4 2667 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [2,0,0,0,0,0|2,0,0]=4 2668 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [2,0,0,0,0,0|0,0,0]=2 2669 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [2,0,0,0,0,0|1,0,0]=3 2670 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [2,0,0,0,0,0|1,0,0]=3 2671 B11R1.28 CCOC=Cc1cccnn1 271570a_100016256518_100016991348 [2,0,0,0,0,0|2,0,0]=4 2672 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [2,0,0,0,0,0|1,0,0]=3 2673 B11R1.28 CCOC=Cc1ccncn1 271570a_100016256518_100000703185 [2,0,0,0,0,0|2,0,0]=4 2674 B11R1.28 CCOC=Cc1ccnnc1 271570a_100016256518_100000732662 [2,0,0,0,0,0|2,0,0]=4 2675 B11R1.28 CCOC=Cc1cnccn1 271570a_100016256518_100000758340 [2,0,0,0,0,0|2,0,0]=4 2676 B11R1.28 CCOC=Cc1cncnc1 271570a_100016256518_100011206942 [2,0,0,0,0,0|2,0,0]=4 2677 B11R1.28 CCOC=Cc1ncccn1 271570a_100016256518_100000211032 [2,0,0,0,0,0|2,0,0]=4 2678 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [2,0,0,0,0,0|0,0,2]=4 2679 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [2,0,0,0,0,0|0,0,2]=4 2680 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [2,0,0,0,0,0|0,0,2]=4 2681 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [2,0,0,0,0,0|1,0,1]=4 2682 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [2,0,0,0,0,0|1,0,1]=4 2683 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [2,0,0,0,0,0|1,0,1]=4 2684 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [2,0,0,0,0,0|1,0,1]=4 2685 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [2,0,0,0,0,0|1,0,1]=4 2686 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [2,0,0,0,0,0|1,0,1]=4 2687 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [2,0,0,0,0,0|1,0,1]=4 2688 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [2,0,0,0,0,0|1,0,1]=4 2689 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [2,0,0,0,0,0|0,0,1]=3 2690 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [2,0,0,0,0,0|0,0,1]=3 2691 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [2,0,0,0,0,0|1,0,1]=4 2692 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [2,0,0,0,0,0|0,0,1]=3 2693 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [2,0,0,0,0,0|1,0,1]=4 2694 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [2,0,0,0,0,0|1,0,1]=4 2695 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [2,0,0,0,0,0|1,0,1]=4 2696 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [2,0,0,0,0,0|0,1,1]=4 2697 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [2,0,0,0,0,0|0,1,1]=4 2698 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [2,0,0,0,0,0|1,0,1]=4 2699 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [2,0,0,0,0,0|1,0,1]=4 2700 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [2,0,0,0,0,0|0,0,1]=3 2701 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [2,0,0,0,0,0|1,0,1]=4 2702 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [2,0,0,0,0,0|0,1,1]=4 2703 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [2,0,0,0,0,0|0,1,1]=4 2704 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [2,0,0,0,0,0|0,0,2]=4 2705 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [2,0,0,0,0,0|0,0,0]=2 2706 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [2,0,0,0,0,0|1,0,0]=3 2707 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [2,0,0,0,0,0|1,0,0]=3 2708 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [2,0,0,0,0,0|1,0,0]=3 2709 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [2,0,0,0,0,0|0,0,2]=4 2710 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [2,0,0,0,0,0|0,0,2]=4 2711 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [2,0,0,0,0,0|1,0,1]=4 2712 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [2,0,0,0,0,0|1,0,1]=4 2713 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [2,0,0,0,0,0|1,0,1]=4 2714 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [2,0,0,0,0,0|1,0,1]=4 2715 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [2,0,0,0,0,0|1,0,1]=4 2716 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [2,0,0,0,0,0|1,0,1]=4 2717 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [2,0,0,0,0,0|2,0,0]=4 2718 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [2,0,0,0,0,0|1,0,1]=4 2719 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [2,0,0,0,0,0|0,0,2]=4 2720 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [2,0,0,0,0,0|0,0,2]=4 2721 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [2,0,0,0,0,0|0,0,0]=2 2722 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [2,0,0,0,0,0|1,0,0]=3 2723 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [2,0,0,0,0,0|1,0,0]=3 2724 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [2,0,0,0,0,0|1,0,0]=3 2725 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [2,0,0,0,0,0|0,0,2]=4 2726 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [2,0,0,0,0,0|1,0,1]=4 2727 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [2,0,0,0,0,0|1,0,1]=4 2728 B13R1.6 CCCCC=Cc1cccc(c1)Br 271570a_100016275911_100000691529 [1,1,0,0,0,0|1,0,1]=4 2729 B13R1.6 CCCCC=Cc1cccc(c1)C 271570a_100016275911_100011215228 [1,1,0,0,0,0|1,0,1]=4 2730 B13R1.6 CCCCC=Cc1cccc(c1)Cl 271570a_100016275911_100000699651 [1,1,0,0,0,0|1,0,1]=4 2731 B13R1.6 CCCCC=Cc1cccc(c1)F 271570a_100016275911_100000685547 [1,1,0,0,0,0|1,0,1]=4 2732 B13R1.6 CCCCC=Cc1cccc(c1)N 271570a_100016275911_100000210019 [1,1,0,0,0,0|1,0,1]=4 2733 B13R1.6 CCCCC=Cc1cccc(c1)O 271570a_100016275911_100000211634 [1,1,0,0,0,0|1,0,1]=4 2734 B13R1.6 CCCCC=Cc1cccc(c1)[S] 271570a_100016275911_114929384022 [1,1,0,0,0,0|1,0,1]=4 2735 B13R1.6 CCNCC=Cc1cccc(c1)C 270004a_100015525214_100102525846 [1,1,0,0,0,0|1,0,1]=4 2736 B13R1.6 CCNCC=Cc1cccc(c1)Cl 270004a_100015525214_100016268971 [1,1,0,0,0,0|1,0,1]=4 2737 B13R1.9 CCCCC=Cc1ccc(cc1)Br 271570a_100016275911_100000752885 [1,1,0,0,0,0|1,0,1]=4 2738 B13R1.9 CCCCC=Cc1ccc(cc1)C 271570a_100016275911_100000186775 [1,1,0,0,0,0|1,0,1]=4 2739 B13R1.9 CCCCC=Cc1ccc(cc1)Cl 271570a_100016275911_100000755918 [1,1,0,0,0,0|1,0,1]=4 2740 B13R1.9 CCCCC=Cc1ccc(cc1)F 271570a_100016275911_100000211213 [1,1,0,0,0,0|1,0,1]=4 2741 B13R1.9 CCCCC=Cc1ccc(cc1)N 271570a_100016275911_100000185761 [1,1,0,0,0,0|1,0,1]=4 2742 B13R1.9 CCCCC=Cc1ccc(cc1)O 271570a_100016275911_100000185759 [1,1,0,0,0,0|1,0,1]=4 2743 B13R1.9 CCNCC=Cc1ccc(cc1)Br 270004a_100015525214_100016291818 [1,1,0,0,0,0|1,0,1]=4 2744 B13R1.9 CCNCC=Cc1ccc(cc1)C 270004a_100015525214_100016257026 [1,1,0,0,0,0|1,0,1]=4 2745 B13R1.9 CCNCC=Cc1ccc(cc1)Cl 270004a_100015525214_100102525842 [1,1,0,0,0,0|1,0,1]=4 2746 B13R1.9 CCNCC=Cc1ccc(cc1)F 270004a_100015525214_100016272083 [1,1,0,0,0,0|1,0,1]=4 2747 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [1,1,0,0,0,0|1,0,1]=4 2748 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [1,1,0,0,0,0|0,0,2]=4 2749 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [1,1,0,0,0,0|0,0,1]=3 2750 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210247_100016265936 [1,1,0,0,0,0|0,0,2]=4 2751 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210256_100000184674 [1,1,0,0,0,0|0,0,2]=4 2752 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_100000210256_100015514636 [1,1,0,0,0,0|0,0,2]=4 2753 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_200000210373_100016265936 [1,1,0,0,0,0|0,0,2]=4 2754 B13R1.28 CCC=CC=NNc1ccccc1 4a_100015195140_100011216943 [1,1,0,0,0,0|2,0,0]=4 2755 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [1,1,0,0,0,0|1,0,1]=4 2756 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [1,1,0,0,0,0|1,0,1]=4 2757 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [1,1,0,0,0,0|1,0,1]=4 2758 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [1,1,0,0,0,0|1,0,1]=4 2759 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [1,1,0,0,0,0|0,0,1]=3 2760 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [1,1,0,0,0,0|0,0,1]=3 2761 B13R1.28 CCCOC/C=C/c1cccnc1 34a_200102594124_100000210303 [1,1,0,0,0,0|1,0,1]=4 2762 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [1,1,0,0,0,0|0,1,1]=4 2763 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [1,1,0,0,0,0|0,1,1]=4 2764 B13R1.28 CCNN=CC=Cc1ccccc1 4a_100000756455_100000210105 [1,1,0,0,0,0|1,0,0]=3 2765 B13R1.28 CCNN=CC=Cc1ccncc1 4a_100000756455_100000703957 [1,1,0,0,0,0|2,0,0]=4 2766 B13R1.28 COCNC/C=C/c1ccccc1 2230a_100020603302_100000766300 [1,1,0,0,0,0|1,0,1]=4 2767 B13R1.28 COCSC/C=C/c1ccccc1 62a_100000766300_100016265936 [1,1,0,0,0,0|0,1,1]=4 2768 B13R1.28 COCSC/C=C/c1ccccc1 62a_100016265936_100000766300 [1,1,0,0,0,0|0,1,1]=4 2769 B13R1.28 CSCNC/C=C/c1ccccc1 2230a_100020603302_100011218213 [1,1,0,0,0,0|1,0,1]=4 2770 B13R1.28 CSCNC/C=C/c1ccccc1 34a_100020603302_100011218213 [1,1,0,0,0,0|1,0,1]=4 2771 B13R1.28 CSCOC/C=C/c1ccccc1 34a_100000210256_100011218213 [1,1,0,0,0,0|0,0,1]=3 2772 B13R1.28 CSCOC/C=C/c1cccnc1 34a_200102594124_100011218213 [1,1,0,0,0,0|1,0,1]=4 2773 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100011218213_100016265936 [1,1,0,0,0,0|0,1,1]=4 2774 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100016265936_100011218213 [1,1,0,0,0,0|0,1,1]=4 2775 B13R1.28 FCCNC/C=C/c1ccccc1 2230a_100020603302_100011217306 [1,1,0,0,0,0|1,0,1]=4 2776 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100000724931_100016265936 [1,1,0,0,0,0|1,0,1]=4 2777 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100020603302_100011217306 [1,1,0,0,0,0|1,0,1]=4 2778 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [1,1,0,0,0,0|0,0,1]=3 2779 B13R1.28 FCCOC/C=C/c1cccnc1 34a_200102594124_100011217306 [1,1,0,0,0,0|1,0,1]=4 2780 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100011217306_100016265936 [1,1,0,0,0,0|0,1,1]=4 2781 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100016265936_100011217306 [1,1,0,0,0,0|0,1,1]=4 2782 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [1,1,0,0,0,0|0,0,1]=3 2783 B13R1.28 O=CCOC/C=C/c1ccccc1 34a_100000210256_200009817547 [1,1,0,0,0,0|0,0,2]=4 2784 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100016997473_100016265936 [1,1,0,0,0,0|1,0,1]=4 2785 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211926 [1,1,0,0,0,0|1,0,1]=4 2786 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100016990907_100016265936 [1,1,0,0,0,0|1,0,1]=4 2787 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100020603302_100000211926 [1,1,0,0,0,0|1,0,1]=4 2788 B13R1.28 OCCNCC=Cc1ccccc1 270004a_100000210304_100000210105 [1,1,0,0,0,0|1,0,1]=4 2789 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [1,1,0,0,0,0|0,0,1]=3 2790 B13R1.28 OCCOC/C=C/c1cccnc1 34a_200102594124_100000211926 [1,1,0,0,0,0|1,0,1]=4 2791 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100000211926_100016265936 [1,1,0,0,0,0|0,1,1]=4 2792 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100016265936_100000211926 [1,1,0,0,0,0|0,1,1]=4 2793 B13R1.44 C/C(=C\c1ccccc1)/COCF 34a_200025717232_100015361967 [1,1,0,0,0,0|1,0,1]=4 2794 B13R1.44 C/C(=C\c1ccccc1)/COCF 7a_200025717232_100015361967 [1,1,0,0,0,0|1,0,1]=4 2795 B13R1.44 CCC=CC(=O)Cc1ccccc1 1458a_100000212282_100015291786 [1,1,0,0,0,0|1,0,1]=4 2796 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [1,1,0,0,0,0|2,0,0]=4 2797 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [1,1,0,0,0,0|2,0,0]=4 2798 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [1,1,0,0,0,0|2,0,0]=4 2799 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [1,1,0,0,0,0|1,0,1]=4 2800 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [1,1,0,0,0,0|0,0,1]=3 2801 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [1,1,0,0,0,0|0,0,1]=3 2802 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [1,1,0,0,0,0|0,0,2]=4 2803 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [1,1,0,0,0,0|1,0,1]=4 2804 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [1,1,0,0,0,0|1,0,1]=4 2805 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [1,1,0,0,0,0|1,0,1]=4 2806 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [1,1,0,0,0,0|1,0,1]=4 2807 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [1,1,0,0,0,0|1,0,1]=4 2808 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [1,1,0,0,0,0|1,0,1]=4 2809 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [1,1,0,0,0,0|1,0,1]=4 2810 B13R1.337 CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200000210301 [1,1,0,0,0,0|1,0,1]=4 2811 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [1,1,0,0,0,0|0,0,2]=4 2812 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000210206 [1,1,0,0,0,0|1,0,1]=4 2813 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100138425928_100016265936 [1,1,0,0,0,0|1,0,1]=4 2814 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000210206 [1,1,0,0,0,0|1,0,1]=4 2815 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100138425928_100016265936 [1,1,0,0,0,0|1,0,1]=4 2816 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000210206 [1,1,0,0,0,0|0,0,1]=3 2817 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000212225_100016265936 [1,1,0,0,0,0|0,0,1]=3 2818 B13R1.337 CC(C)OC/C=C/c1cccnc1 34a_200102594124_100000210206 [1,1,0,0,0,0|1,0,1]=4 2819 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100000210206_100016265936 [1,1,0,0,0,0|0,1,1]=4 2820 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000210206 [1,1,0,0,0,0|0,1,1]=4 2821 B13R1.337 [13CH3]C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200025704644 [1,1,0,0,0,0|1,0,1]=4 2822 B13R1.555 CCCCC=Cc1ccccc1Br 271570a_100016275911_100000695589 [1,1,0,0,0,0|1,0,1]=4 2823 B13R1.555 CCCCC=Cc1ccccc1C 271570a_100016275911_100000210755 [1,1,0,0,0,0|1,0,1]=4 2824 B13R1.555 CCCCC=Cc1ccccc1Cl 271570a_100016275911_100000764095 [1,1,0,0,0,0|1,0,1]=4 2825 B13R1.555 CCCCC=Cc1ccccc1F 271570a_100016275911_100011215700 [1,1,0,0,0,0|1,0,1]=4 2826 B13R1.555 CCCCC=Cc1ccccc1N 271570a_100016275911_100000210017 [1,1,0,0,0,0|1,0,1]=4 2827 B13R1.555 CCCCC=Cc1ccccc1O 271570a_100016275911_100000739446 [1,1,0,0,0,0|1,0,1]=4 2828 B13R1.555 CCNCC=Cc1ccccc1Br 270004a_100015525214_200016268969 [1,1,0,0,0,0|1,0,1]=4 2829 B13R1.555 CCNCC=Cc1ccccc1Cl 270004a_100015525214_200102525841 [1,1,0,0,0,0|1,0,1]=4 2830 B13R1.555 CCNCC=Cc1ccccc1F 270004a_100015525214_200102525844 [1,1,0,0,0,0|1,0,1]=4 2831 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [1,1,0,0,0,0|1,0,1]=4 2832 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [1,1,0,0,0,0|1,0,1]=4 2833 B13R1.718 CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210202 [1,1,0,0,0,0|2,0,0]=4 2834 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100000225621_100016265936 [1,1,0,0,0,0|1,0,1]=4 2835 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100020603567_200000210301 [1,1,0,0,0,0|1,0,1]=4 2836 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100000225621_100016265936 [1,1,0,0,0,0|1,0,1]=4 2837 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100020603567_200000210301 [1,1,0,0,0,0|1,0,1]=4 2838 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 2230a_100020603567_200025704644 [1,1,0,0,0,0|1,0,1]=4 2839 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 269982a_100020603567_200025704644 [1,1,0,0,0,0|1,0,1]=4 2840 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [1,1,0,0,0,0|1,0,0]=3 2841 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [1,1,0,0,0,0|0,0,0]=2 2842 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [1,1,0,0,0,0|0,0,1]=3 2843 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [1,1,0,0,0,0|0,0,1]=3 2844 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [1,1,0,0,0,0|1,0,1]=4 2845 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [1,1,0,0,0,0|1,0,1]=4 2846 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [1,1,0,0,0,0|1,0,1]=4 2847 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [1,1,0,0,0,0|0,0,2]=4 2848 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [1,1,0,0,0,0|0,0,2]=4 2849 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [1,1,0,0,0,0|0,0,2]=4 2850 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [1,1,0,0,0,0|0,0,2]=4 2851 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [1,1,0,0,0,0|1,0,1]=4 2852 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [1,1,0,0,0,0|1,0,1]=4 2853 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [1,1,0,0,0,0|0,0,2]=4 2854 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [1,1,0,0,0,0|1,0,1]=4 2855 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [1,1,0,0,0,0|1,0,1]=4 2856 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [1,1,0,0,0,0|1,0,1]=4 2857 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [1,1,0,0,0,0|1,0,1]=4 2858 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [1,1,0,0,0,0|1,0,0]=3 2859 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [1,1,0,0,0,0|1,0,0]=3 2860 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [1,1,0,0,0,0|1,0,0]=3 2861 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [1,1,0,0,0,0|1,0,0]=3 2862 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [1,1,0,0,0,0|1,0,1]=4 2863 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [1,1,0,0,0,0|0,0,1]=3 2864 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [1,1,0,0,0,0|1,0,1]=4 2865 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [1,1,0,0,0,0|1,0,1]=4 2866 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [1,1,0,0,0,0|1,0,1]=4 2867 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [1,1,0,0,0,0|1,0,1]=4 2868 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [1,1,0,0,0,0|1,0,1]=4 2869 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [1,1,0,0,0,0|1,0,1]=4 2870 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [1,1,0,0,0,0|1,0,1]=4 2871 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [1,1,0,0,0,0|1,0,1]=4 2872 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210202 [1,1,0,0,0,0|0,0,2]=4 2873 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210202 [1,1,0,0,0,0|0,0,2]=4 2874 B13R1.14 CCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210202 [1,1,0,0,0,0|0,0,2]=4 2875 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [1,1,0,0,0,0|0,0,0]=2 2876 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [1,1,0,0,0,0|0,0,0]=2 2877 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [1,1,0,0,0,0|0,0,0]=2 2878 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [1,1,0,0,0,0|0,0,0]=2 2879 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [1,1,0,0,0,0|0,0,0]=2 2880 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [1,1,0,0,0,0|0,0,0]=2 2881 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [1,1,0,0,0,0|0,0,0]=2 2882 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [1,1,0,0,0,0|0,0,0]=2 2883 B13R1.14 CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211110 [1,1,0,0,0,0|1,0,0]=3 2884 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210202 [1,1,0,0,0,0|1,0,0]=3 2885 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211110 [1,1,0,0,0,0|1,0,0]=3 2886 B13R1.14 CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210202 [1,1,0,0,0,0|1,0,0]=3 2887 B13R1.14 CCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100000211110 [1,1,0,0,0,0|2,0,0]=4 2888 B13R1.14 CCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000211110 [1,1,0,0,0,0|2,0,0]=4 2889 B13R1.14 CCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100000211110 [1,1,0,0,0,0|2,0,0]=4 2890 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [1,1,0,0,0,0|0,0,2]=4 2891 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [1,1,0,0,0,0|0,0,2]=4 2892 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [1,1,0,0,0,0|0,0,2]=4 2893 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [1,1,0,0,0,0|0,0,2]=4 2894 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [1,1,0,0,0,0|0,0,2]=4 2895 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [1,1,0,0,0,0|0,0,2]=4 2896 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [1,1,0,0,0,0|0,0,2]=4 2897 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [1,1,0,0,0,0|0,0,2]=4 2898 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [1,1,0,0,0,0|0,0,2]=4 2899 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [1,1,0,0,0,0|0,0,2]=4 2900 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [1,1,0,0,0,0|0,0,2]=4 2901 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [1,1,0,0,0,0|1,0,1]=4 2902 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [1,1,0,0,0,0|1,0,1]=4 2903 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [1,1,0,0,0,0|1,0,1]=4 2904 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [1,1,0,0,0,0|1,0,1]=4 2905 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [1,1,0,0,0,0|1,0,1]=4 2906 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [1,1,0,0,0,0|1,0,1]=4 2907 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [1,1,0,0,0,0|1,0,1]=4 2908 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [1,1,0,0,0,0|1,0,1]=4 2909 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [1,1,0,0,0,0|1,0,1]=4 2910 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [1,1,0,0,0,0|1,0,1]=4 2911 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210202 [1,1,0,0,0,0|1,0,1]=4 2912 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000747405_100000752885 [1,1,0,0,0,0|1,0,1]=4 2913 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747405 [1,1,0,0,0,0|1,0,1]=4 2914 B13R1.14 CCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210202 [1,1,0,0,0,0|1,0,1]=4 2915 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747405 [1,1,0,0,0,0|1,0,1]=4 2916 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000747405_100000186775 [1,1,0,0,0,0|1,0,1]=4 2917 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210202 [1,1,0,0,0,0|1,0,1]=4 2918 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000747405_100000755918 [1,1,0,0,0,0|1,0,1]=4 2919 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747405 [1,1,0,0,0,0|1,0,1]=4 2920 B13R1.14 CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210202 [1,1,0,0,0,0|1,0,1]=4 2921 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747405 [1,1,0,0,0,0|1,0,1]=4 2922 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000747405_100000211213 [1,1,0,0,0,0|1,0,1]=4 2923 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747405 [1,1,0,0,0,0|1,0,1]=4 2924 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000747405_100000185761 [1,1,0,0,0,0|1,0,1]=4 2925 B13R1.14 CCC(=O)CSc1ccc(cc1)O 62a_100000747405_100000185759 [1,1,0,0,0,0|1,0,1]=4 2926 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210414 [1,1,0,0,0,0|1,0,1]=4 2927 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210414 [1,1,0,0,0,0|1,0,1]=4 2928 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210414 [1,1,0,0,0,0|1,0,1]=4 2929 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210414 [1,1,0,0,0,0|1,0,1]=4 2930 B13R1.14 CCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000210414 [1,1,0,0,0,0|1,0,1]=4 2931 B13R1.14 CCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000210414 [1,1,0,0,0,0|1,0,1]=4 2932 B13R1.14 CCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000210414 [1,1,0,0,0,0|1,0,1]=4 2933 B13R1.14 CCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000210414 [1,1,0,0,0,0|1,0,1]=4 2934 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210414 [1,1,0,0,0,0|1,0,1]=4 2935 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210414 [1,1,0,0,0,0|1,0,1]=4 2936 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210414 [1,1,0,0,0,0|1,0,1]=4 2937 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210414 [1,1,0,0,0,0|1,0,1]=4 2938 B13R1.14 CCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210414 [1,1,0,0,0,0|1,0,1]=4 2939 B13R1.14 CCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210414 [1,1,0,0,0,0|1,0,1]=4 2940 B13R1.14 CCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210414 [1,1,0,0,0,0|1,0,1]=4 2941 B13R1.14 CCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210414 [1,1,0,0,0,0|1,0,1]=4 2942 B13R1.14 CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210414 [1,1,0,0,0,0|1,0,1]=4 2943 B13R1.14 CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210414 [1,1,0,0,0,0|1,0,1]=4 2944 B13R1.14 CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210414 [1,1,0,0,0,0|1,0,1]=4 2945 B13R1.14 CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210414 [1,1,0,0,0,0|1,0,1]=4 2946 B13R1.14 CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210414 [1,1,0,0,0,0|1,0,1]=4 2947 B13R1.14 CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210414 [1,1,0,0,0,0|1,0,1]=4 2948 B13R1.14 CCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000210414 [1,1,0,0,0,0|2,0,0]=4 2949 B13R1.14 CCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000210414 [1,1,0,0,0,0|2,0,0]=4 2950 B13R1.14 CCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000210414 [1,1,0,0,0,0|2,0,0]=4 2951 B13R1.14 CCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000210414 [1,1,0,0,0,0|2,0,0]=4 2952 B13R1.14 CCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000210414 [1,1,0,0,0,0|2,0,0]=4 2953 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [1,1,0,0,0,0|1,0,0]=3 2954 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [1,1,0,0,0,0|1,0,0]=3 2955 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [1,1,0,0,0,0|1,0,0]=3 2956 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [1,1,0,0,0,0|1,0,0]=3 2957 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [1,1,0,0,0,0|1,0,0]=3 2958 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [1,1,0,0,0,0|1,0,0]=3 2959 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [1,1,0,0,0,0|1,0,0]=3 2960 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [1,1,0,0,0,0|1,0,0]=3 2961 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [1,1,0,0,0,0|1,0,0]=3 2962 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [1,1,0,0,0,0|1,0,0]=3 2963 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [1,1,0,0,0,0|1,0,0]=3 2964 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [1,1,0,0,0,0|1,0,0]=3 2965 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [1,1,0,0,0,0|1,0,0]=3 2966 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [1,1,0,0,0,0|1,0,0]=3 2967 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [1,1,0,0,0,0|1,0,0]=3 2968 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 11a_106832991635_100020630499 [1,1,0,0,0,0|2,0,0]=4 2969 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 1626a_100102657272_100020630499 [1,1,0,0,0,0|2,0,0]=4 2970 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 240690a_100102657272_100020630499 [1,1,0,0,0,0|2,0,0]=4 2971 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 11a_106832991635_100020588214 [1,1,0,0,0,0|2,0,0]=4 2972 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 1626a_100102657272_100020588214 [1,1,0,0,0,0|2,0,0]=4 2973 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 240690a_100102657272_100020588214 [1,1,0,0,0,0|2,0,0]=4 2974 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [1,1,0,0,0,0|0,0,0]=2 2975 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [1,1,0,0,0,0|0,0,2]=4 2976 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [1,1,0,0,0,0|0,0,2]=4 2977 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [1,1,0,0,0,0|1,0,1]=4 2978 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [1,1,0,0,0,0|1,0,1]=4 2979 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [1,1,0,0,0,0|1,0,1]=4 2980 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [1,1,0,0,0,0|1,0,1]=4 2981 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [1,1,0,0,0,0|1,0,1]=4 2982 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [1,1,0,0,0,0|1,0,1]=4 2983 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [1,1,0,0,0,0|1,0,1]=4 2984 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [1,1,0,0,0,0|1,0,1]=4 2985 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [1,1,0,0,0,0|1,0,1]=4 2986 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [1,1,0,0,0,0|1,0,1]=4 2987 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [1,1,0,0,0,0|1,0,1]=4 2988 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [1,1,0,0,0,0|1,0,1]=4 2989 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [1,1,0,0,0,0|1,0,1]=4 2990 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [1,1,0,0,0,0|1,0,1]=4 2991 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [1,1,0,0,0,0|1,0,1]=4 2992 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [1,1,0,0,0,0|1,0,1]=4 2993 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [1,1,0,0,0,0|1,0,1]=4 2994 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [1,1,0,0,0,0|1,0,1]=4 2995 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [1,1,0,0,0,0|1,0,1]=4 2996 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [1,1,0,0,0,0|1,0,1]=4 2997 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [1,1,0,0,0,0|1,0,1]=4 2998 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [1,1,0,0,0,0|1,0,1]=4 2999 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [1,1,0,0,0,0|1,0,1]=4 3000 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [1,1,0,0,0,0|1,0,1]=4 3001 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [1,1,0,0,0,0|1,0,1]=4 3002 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [1,1,0,0,0,0|1,0,1]=4 3003 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [1,1,0,0,0,0|1,0,1]=4 3004 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [1,1,0,0,0,0|1,0,1]=4 3005 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [1,1,0,0,0,0|1,0,1]=4 3006 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [1,1,0,0,0,0|1,0,1]=4 3007 B13R1.14 Cc1ccc(cc1)C=CC(=O)CF 1458a_100000716854_100015361967 [1,1,0,0,0,0|1,0,0]=3 3008 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CBr 6a_100000186029_100009888967 [1,1,0,0,0,0|1,0,0]=3 3009 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000086384 [1,1,0,0,0,0|1,0,0]=3 3010 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 1458a_100016267368_100015361967 [1,1,0,0,0,0|1,0,0]=3 3011 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 6a_100000186029_100000764096 [1,1,0,0,0,0|1,0,0]=3 3012 B13R1.14 O=C(C=Cc1ccc(cc1)Cl)CF 1458a_100000184863_100015361967 [1,1,0,0,0,0|1,0,0]=3 3013 B13R1.14 O=C(C=Cc1ccc(cc1)F)CBr 6a_100000210084_100009888967 [1,1,0,0,0,0|1,0,0]=3 3014 B13R1.14 O=C(C=Cc1ccc(cc1)F)CCl 6a_100000210084_100000086384 [1,1,0,0,0,0|1,0,0]=3 3015 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 1458a_100000182136_100015361967 [1,1,0,0,0,0|1,0,0]=3 3016 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 6a_100000210084_100000764096 [1,1,0,0,0,0|1,0,0]=3 3017 B13R1.14 O=C(C=Cc1ccc(cc1)I)CBr 6a_100000188517_100009888967 [1,1,0,0,0,0|1,0,0]=3 3018 B13R1.14 O=C(C=Cc1ccc(cc1)I)CCl 6a_100000188517_100000086384 [1,1,0,0,0,0|1,0,0]=3 3019 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 1458a_100102526154_100015361967 [1,1,0,0,0,0|1,0,0]=3 3020 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 6a_100000188517_100000764096 [1,1,0,0,0,0|1,0,0]=3 3021 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CBr 6a_100000754260_100009888967 [1,1,0,0,0,0|2,0,0]=4 3022 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CCl 6a_100000754260_100000086384 [1,1,0,0,0,0|2,0,0]=4 3023 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CF 6a_100000754260_100000764096 [1,1,0,0,0,0|2,0,0]=4 3024 B13R1.14 O=C(C=Cc1ccc(cn1)F)CBr 6a_100011934744_100009888967 [1,1,0,0,0,0|2,0,0]=4 3025 B13R1.14 O=C(C=Cc1ccc(cn1)F)CCl 6a_100011934744_100000086384 [1,1,0,0,0,0|2,0,0]=4 3026 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 1458a_100020630499_100015361967 [1,1,0,0,0,0|2,0,0]=4 3027 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 6a_100011934744_100000764096 [1,1,0,0,0,0|2,0,0]=4 3028 B13R1.14 O=C(C=Cc1ccc(nc1)Br)CF 1458a_100020588214_100015361967 [1,1,0,0,0,0|2,0,0]=4 3029 B13R1.15 CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210202 [1,1,0,0,0,0|0,0,2]=4 3030 B13R1.15 CCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210202 [1,1,0,0,0,0|0,0,2]=4 3031 B13R1.15 CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210202 [1,1,0,0,0,0|0,0,2]=4 3032 B13R1.15 CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210202 [1,1,0,0,0,0|0,0,2]=4 3033 B13R1.15 CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210202 [1,1,0,0,0,0|0,0,2]=4 3034 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [1,1,0,0,0,0|0,0,0]=2 3035 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [1,1,0,0,0,0|0,0,0]=2 3036 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [1,1,0,0,0,0|0,0,0]=2 3037 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [1,1,0,0,0,0|0,0,0]=2 3038 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [1,1,0,0,0,0|0,0,0]=2 3039 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [1,1,0,0,0,0|0,0,0]=2 3040 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [1,1,0,0,0,0|0,0,0]=2 3041 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [1,1,0,0,0,0|0,0,0]=2 3042 B13R1.15 CCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000211110 [1,1,0,0,0,0|1,0,0]=3 3043 B13R1.15 CCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211110 [1,1,0,0,0,0|1,0,0]=3 3044 B13R1.15 CCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000211110 [1,1,0,0,0,0|1,0,0]=3 3045 B13R1.15 CCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000211110 [1,1,0,0,0,0|1,0,0]=3 3046 B13R1.15 CCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100000211110 [1,1,0,0,0,0|2,0,0]=4 3047 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [1,1,0,0,0,0|0,0,2]=4 3048 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [1,1,0,0,0,0|0,0,2]=4 3049 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [1,1,0,0,0,0|0,0,2]=4 3050 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [1,1,0,0,0,0|0,0,2]=4 3051 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [1,1,0,0,0,0|0,0,2]=4 3052 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [1,1,0,0,0,0|0,0,2]=4 3053 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [1,1,0,0,0,0|0,0,2]=4 3054 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [1,1,0,0,0,0|0,0,2]=4 3055 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [1,1,0,0,0,0|0,0,2]=4 3056 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [1,1,0,0,0,0|0,0,2]=4 3057 B13R1.15 CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210202 [1,1,0,0,0,0|1,0,1]=4 3058 B13R1.15 CCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747405 [1,1,0,0,0,0|1,0,1]=4 3059 B13R1.15 CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210202 [1,1,0,0,0,0|1,0,1]=4 3060 B13R1.15 CCC(=O)COc1cccc(c1)C 7a_100000210337_100000747405 [1,1,0,0,0,0|1,0,1]=4 3061 B13R1.15 CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210202 [1,1,0,0,0,0|1,0,1]=4 3062 B13R1.15 CCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747405 [1,1,0,0,0,0|1,0,1]=4 3063 B13R1.15 CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210202 [1,1,0,0,0,0|1,0,1]=4 3064 B13R1.15 CCC(=O)COc1cccc(c1)F 7a_100000210426_100000747405 [1,1,0,0,0,0|1,0,1]=4 3065 B13R1.15 CCC(=O)COc1cccc(c1)I 7a_100000211634_100000747405 [1,1,0,0,0,0|1,0,1]=4 3066 B13R1.15 CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210202 [1,1,0,0,0,0|1,0,1]=4 3067 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747405 [1,1,0,0,0,0|1,0,1]=4 3068 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000747405_100000691529 [1,1,0,0,0,0|1,0,1]=4 3069 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100000747405_100011215228 [1,1,0,0,0,0|1,0,1]=4 3070 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747405 [1,1,0,0,0,0|1,0,1]=4 3071 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747405 [1,1,0,0,0,0|1,0,1]=4 3072 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000747405_100000699651 [1,1,0,0,0,0|1,0,1]=4 3073 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000685547_100000747405 [1,1,0,0,0,0|1,0,1]=4 3074 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000747405_100000685547 [1,1,0,0,0,0|1,0,1]=4 3075 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000210019_100000747405 [1,1,0,0,0,0|1,0,1]=4 3076 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000747405_100000210019 [1,1,0,0,0,0|1,0,1]=4 3077 B13R1.15 CCC(=O)CSc1cccc(c1)O 62a_100000747405_100000211634 [1,1,0,0,0,0|1,0,1]=4 3078 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_100000747405_114929384022 [1,1,0,0,0,0|1,0,1]=4 3079 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747405 [1,1,0,0,0,0|1,0,1]=4 3080 B13R1.15 CCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210414 [1,1,0,0,0,0|1,0,1]=4 3081 B13R1.15 CCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210414 [1,1,0,0,0,0|1,0,1]=4 3082 B13R1.15 CCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210414 [1,1,0,0,0,0|1,0,1]=4 3083 B13R1.15 CCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210414 [1,1,0,0,0,0|1,0,1]=4 3084 B13R1.15 CCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210414 [1,1,0,0,0,0|1,0,1]=4 3085 B13R1.15 CCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210414 [1,1,0,0,0,0|1,0,1]=4 3086 B13R1.15 CCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210414 [1,1,0,0,0,0|1,0,1]=4 3087 B13R1.15 CCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210414 [1,1,0,0,0,0|1,0,1]=4 3088 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210414 [1,1,0,0,0,0|1,0,1]=4 3089 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210414 [1,1,0,0,0,0|1,0,1]=4 3090 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210414 [1,1,0,0,0,0|1,0,1]=4 3091 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210414 [1,1,0,0,0,0|1,0,1]=4 3092 B13R1.15 CCC(=O)NCc1cccc(c1)F 11a_100000174948_100000210414 [1,1,0,0,0,0|1,0,1]=4 3093 B13R1.15 CCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210414 [1,1,0,0,0,0|1,0,1]=4 3094 B13R1.15 CCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210414 [1,1,0,0,0,0|1,0,1]=4 3095 B13R1.15 CCC(=O)NCc1cccc(c1)F 527a_100000174948_100000210414 [1,1,0,0,0,0|1,0,1]=4 3096 B13R1.15 CCC(=O)NCc1cccc(c1)I 11a_100000106179_100000210414 [1,1,0,0,0,0|1,0,1]=4 3097 B13R1.15 CCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210414 [1,1,0,0,0,0|1,0,1]=4 3098 B13R1.15 CCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210414 [1,1,0,0,0,0|1,0,1]=4 3099 B13R1.15 CCC(=O)NCc1cccc(c1)I 527a_100000106179_100000210414 [1,1,0,0,0,0|1,0,1]=4 3100 B13R1.15 CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210414 [1,1,0,0,0,0|1,0,1]=4 3101 B13R1.15 CCC(=O)NCc1cccc(c1)O 271570a_203496583355_200011236840 [1,1,0,0,0,0|1,0,1]=4 3102 B13R1.15 CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210414 [1,1,0,0,0,0|1,0,1]=4 3103 B13R1.15 CCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210414 [1,1,0,0,0,0|2,0,0]=4 3104 B13R1.15 CCC(=O)NNc1cccc(c1)C 22a_100000681630_100000210414 [1,1,0,0,0,0|2,0,0]=4 3105 B13R1.15 CCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210414 [1,1,0,0,0,0|2,0,0]=4 3106 B13R1.15 CCC(=O)NNc1cccc(c1)F 22a_100000745080_100000210414 [1,1,0,0,0,0|2,0,0]=4 3107 B13R1.15 CCC(=O)NNc1cccc(c1)I 22a_100020605690_100000210414 [1,1,0,0,0,0|2,0,0]=4 3108 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [1,1,0,0,0,0|1,0,0]=3 3109 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [1,1,0,0,0,0|1,0,0]=3 3110 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [1,1,0,0,0,0|1,0,0]=3 3111 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [1,1,0,0,0,0|1,0,0]=3 3112 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [1,1,0,0,0,0|1,0,0]=3 3113 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [1,1,0,0,0,0|1,0,0]=3 3114 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [1,1,0,0,0,0|1,0,0]=3 3115 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [1,1,0,0,0,0|1,0,0]=3 3116 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [1,1,0,0,0,0|1,0,0]=3 3117 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [1,1,0,0,0,0|1,0,0]=3 3118 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [1,1,0,0,0,0|1,0,0]=3 3119 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [1,1,0,0,0,0|1,0,0]=3 3120 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [1,1,0,0,0,0|1,0,0]=3 3121 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [1,1,0,0,0,0|1,0,0]=3 3122 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [1,1,0,0,0,0|1,0,0]=3 3123 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [1,1,0,0,0,0|0,0,0]=2 3124 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [1,1,0,0,0,0|0,0,2]=4 3125 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [1,1,0,0,0,0|1,0,1]=4 3126 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [1,1,0,0,0,0|1,0,1]=4 3127 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [1,1,0,0,0,0|1,0,1]=4 3128 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [1,1,0,0,0,0|1,0,1]=4 3129 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [1,1,0,0,0,0|1,0,1]=4 3130 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [1,1,0,0,0,0|1,0,1]=4 3131 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [1,1,0,0,0,0|1,0,1]=4 3132 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [1,1,0,0,0,0|1,0,1]=4 3133 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [1,1,0,0,0,0|1,0,1]=4 3134 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [1,1,0,0,0,0|1,0,1]=4 3135 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [1,1,0,0,0,0|1,0,1]=4 3136 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [1,1,0,0,0,0|1,0,1]=4 3137 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [1,1,0,0,0,0|1,0,1]=4 3138 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [1,1,0,0,0,0|1,0,1]=4 3139 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [1,1,0,0,0,0|1,0,1]=4 3140 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [1,1,0,0,0,0|1,0,1]=4 3141 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [1,1,0,0,0,0|1,0,1]=4 3142 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [1,1,0,0,0,0|1,0,1]=4 3143 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [1,1,0,0,0,0|1,0,1]=4 3144 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [1,1,0,0,0,0|1,0,1]=4 3145 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [1,1,0,0,0,0|1,0,1]=4 3146 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [1,1,0,0,0,0|1,0,1]=4 3147 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [1,1,0,0,0,0|1,0,1]=4 3148 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [1,1,0,0,0,0|1,0,1]=4 3149 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [1,1,0,0,0,0|1,0,1]=4 3150 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [1,1,0,0,0,0|1,0,1]=4 3151 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [1,1,0,0,0,0|1,0,1]=4 3152 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [1,1,0,0,0,0|1,0,1]=4 3153 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [1,1,0,0,0,0|1,0,1]=4 3154 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [1,1,0,0,0,0|1,0,1]=4 3155 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [1,1,0,0,0,0|1,0,1]=4 3156 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [1,1,0,0,0,0|1,0,1]=4 3157 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [1,1,0,0,0,0|1,0,1]=4 3158 B13R1.15 Cc1cccc(c1)C=CC(=O)CF 1458a_100000690095_100015361967 [1,1,0,0,0,0|1,0,0]=3 3159 B13R1.15 Cc1cncc(c1)C=CC(=O)CBr 6a_100011998712_100009888967 [1,1,0,0,0,0|2,0,0]=4 3160 B13R1.15 Cc1cncc(c1)C=CC(=O)CCl 6a_100011998712_100000086384 [1,1,0,0,0,0|2,0,0]=4 3161 B13R1.15 Cc1cncc(c1)C=CC(=O)CF 6a_100011998712_100000764096 [1,1,0,0,0,0|2,0,0]=4 3162 B13R1.15 O=C(C=Cc1cccc(c1)Br)CBr 6a_100000210085_100009888967 [1,1,0,0,0,0|1,0,0]=3 3163 B13R1.15 O=C(C=Cc1cccc(c1)Br)CCl 6a_100000210085_100000086384 [1,1,0,0,0,0|1,0,0]=3 3164 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 1458a_100016258244_100015361967 [1,1,0,0,0,0|1,0,0]=3 3165 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 6a_100000210085_100000764096 [1,1,0,0,0,0|1,0,0]=3 3166 B13R1.15 O=C(C=Cc1cccc(c1)Cl)CF 1458a_100000184502_100015361967 [1,1,0,0,0,0|1,0,0]=3 3167 B13R1.15 O=C(C=Cc1cccc(c1)F)CBr 6a_100000210812_100009888967 [1,1,0,0,0,0|1,0,0]=3 3168 B13R1.15 O=C(C=Cc1cccc(c1)F)CCl 6a_100000210812_100000086384 [1,1,0,0,0,0|1,0,0]=3 3169 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 1458a_100000718793_100015361967 [1,1,0,0,0,0|1,0,0]=3 3170 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 6a_100000210812_100000764096 [1,1,0,0,0,0|1,0,0]=3 3171 B13R1.15 O=C(C=Cc1cccc(c1)I)CBr 6a_100000014684_100009888967 [1,1,0,0,0,0|1,0,0]=3 3172 B13R1.15 O=C(C=Cc1cccc(c1)I)CCl 6a_100000014684_100000086384 [1,1,0,0,0,0|1,0,0]=3 3173 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 1458a_100020647043_100015361967 [1,1,0,0,0,0|1,0,0]=3 3174 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 6a_100000014684_100000764096 [1,1,0,0,0,0|1,0,0]=3 3175 B13R1.15 O=C(C=Cc1cncc(c1)Br)CBr 6a_100000687066_100009888967 [1,1,0,0,0,0|2,0,0]=4 3176 B13R1.15 O=C(C=Cc1cncc(c1)Br)CCl 6a_100000687066_100000086384 [1,1,0,0,0,0|2,0,0]=4 3177 B13R1.15 O=C(C=Cc1cncc(c1)Br)CF 6a_100000687066_100000764096 [1,1,0,0,0,0|2,0,0]=4 3178 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CBr 6a_100000088910_100009888967 [1,1,0,0,0,0|2,0,0]=4 3179 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CCl 6a_100000088910_100000086384 [1,1,0,0,0,0|2,0,0]=4 3180 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CF 6a_100000088910_100000764096 [1,1,0,0,0,0|2,0,0]=4 3181 B13R1.15 O=C(C=Cc1cncc(c1)F)CBr 6a_100011361476_100009888967 [1,1,0,0,0,0|2,0,0]=4 3182 B13R1.15 O=C(C=Cc1cncc(c1)F)CCl 6a_100011361476_100000086384 [1,1,0,0,0,0|2,0,0]=4 3183 B13R1.15 O=C(C=Cc1cncc(c1)F)CF 6a_100011361476_100000764096 [1,1,0,0,0,0|2,0,0]=4 3184 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [1,1,0,0,0,0|1,0,0]=3 3185 B13R1.135 C/C(=C\c1ccccn1)/C(=O)CF 1458a_100025712827_100015361967 [1,1,0,0,0,0|2,0,0]=4 3186 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [1,1,0,0,0,0|1,0,1]=4 3187 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [1,1,0,0,0,0|1,0,1]=4 3188 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [1,1,0,0,0,0|0,0,0]=2 3189 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [1,1,0,0,0,0|0,0,0]=2 3190 B13R1.135 CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210202 [1,1,0,0,0,0|1,0,0]=3 3191 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [1,1,0,0,0,0|0,0,0]=2 3192 B13R1.135 CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210202 [1,1,0,0,0,0|1,0,0]=3 3193 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [1,1,0,0,0,0|1,0,0]=3 3194 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [1,1,0,0,0,0|0,0,2]=4 3195 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [1,1,0,0,0,0|0,0,2]=4 3196 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [1,1,0,0,0,0|1,0,1]=4 3197 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [1,1,0,0,0,0|1,0,1]=4 3198 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3199 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [1,1,0,0,0,0|1,0,1]=4 3200 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [1,1,0,0,0,0|1,0,1]=4 3201 B13R1.135 CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210414 [1,1,0,0,0,0|1,0,1]=4 3202 B13R1.135 CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210414 [1,1,0,0,0,0|1,0,1]=4 3203 B13R1.135 CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210414 [1,1,0,0,0,0|1,0,1]=4 3204 B13R1.135 CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210414 [1,1,0,0,0,0|1,0,1]=4 3205 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [1,1,0,0,0,0|0,0,2]=4 3206 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [1,1,0,0,0,0|1,0,0]=3 3207 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [1,1,0,0,0,0|1,0,0]=3 3208 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [1,1,0,0,0,0|1,0,0]=3 3209 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [1,1,0,0,0,0|1,0,0]=3 3210 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [1,1,0,0,0,0|1,0,0]=3 3211 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [1,1,0,0,0,0|1,0,0]=3 3212 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [1,1,0,0,0,0|1,0,0]=3 3213 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 11a_106832991635_100025712827 [1,1,0,0,0,0|2,0,0]=4 3214 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 1626a_100102657272_100025712827 [1,1,0,0,0,0|2,0,0]=4 3215 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 527a_100102657272_100025712827 [1,1,0,0,0,0|2,0,0]=4 3216 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [1,1,0,0,0,0|1,0,0]=3 3217 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [1,1,0,0,0,0|1,0,0]=3 3218 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 11a_106832991635_100000731744 [1,1,0,0,0,0|2,0,0]=4 3219 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 240690a_100102657272_100000731744 [1,1,0,0,0,0|2,0,0]=4 3220 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 527a_100102657272_100000731744 [1,1,0,0,0,0|2,0,0]=4 3221 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [1,1,0,0,0,0|1,0,1]=4 3222 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [1,1,0,0,0,0|2,0,0]=4 3223 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [1,1,0,0,0,0|2,0,0]=4 3224 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [1,1,0,0,0,0|2,0,0]=4 3225 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [1,1,0,0,0,0|2,0,0]=4 3226 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [1,1,0,0,0,0|1,0,0]=3 3227 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [1,1,0,0,0,0|1,0,0]=3 3228 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [1,1,0,0,0,0|1,0,0]=3 3229 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [1,1,0,0,0,0|1,0,1]=4 3230 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [1,1,0,0,0,0|1,0,1]=4 3231 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [1,1,0,0,0,0|1,0,1]=4 3232 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [1,1,0,0,0,0|1,0,1]=4 3233 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [1,1,0,0,0,0|1,0,1]=4 3234 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [1,1,0,0,0,0|1,0,0]=3 3235 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [1,1,0,0,0,0|1,0,0]=3 3236 B13R1.135 O=C(CF)C(=Cc1cccnc1)F 1458a_100000731744_100015361967 [1,1,0,0,0,0|2,0,0]=4 3237 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [1,1,0,0,0,0|2,0,0]=4 3238 B13R1.254 CNS(=O)(=O)C=Cc1ccccc1 40a_100102657272_100011098038 [1,1,0,0,0,0|2,0,0]=4 3239 B13R1.351 CC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000210206 [1,1,0,0,0,0|0,0,2]=4 3240 B13R1.351 CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210206 [1,1,0,0,0,0|0,0,0]=2 3241 B13R1.351 CC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000210206 [1,1,0,0,0,0|1,0,0]=3 3242 B13R1.351 CC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000210206 [1,1,0,0,0,0|1,0,0]=3 3243 B13R1.351 CC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000210206 [1,1,0,0,0,0|1,0,0]=3 3244 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [1,1,0,0,0,0|0,0,2]=4 3245 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [1,1,0,0,0,0|0,0,2]=4 3246 B13R1.351 CC(C)C(=O)CNc1ccccc1 34a_100000106764_100000753385 [1,1,0,0,0,0|1,0,1]=4 3247 B13R1.351 CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000210206 [1,1,0,0,0,0|1,0,1]=4 3248 B13R1.351 CC(C)C(=O)COc1ccccc1 34a_100000210340_100000753385 [1,1,0,0,0,0|1,0,1]=4 3249 B13R1.351 CC(C)C(=O)COc1ccccc1 7a_100000210340_100000753385 [1,1,0,0,0,0|1,0,1]=4 3250 B13R1.351 CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000210206 [1,1,0,0,0,0|1,0,1]=4 3251 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000719477_100000753385 [1,1,0,0,0,0|1,0,1]=4 3252 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000753385_100000041952 [1,1,0,0,0,0|1,0,1]=4 3253 B13R1.351 CC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210198 [1,1,0,0,0,0|1,0,1]=4 3254 B13R1.351 CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210198 [1,1,0,0,0,0|1,0,1]=4 3255 B13R1.351 CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210198 [1,1,0,0,0,0|1,0,1]=4 3256 B13R1.351 CC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210198 [1,1,0,0,0,0|1,0,1]=4 3257 B13R1.351 CC(C)C(=O)NNc1ccccc1 22a_100015195140_100000210198 [1,1,0,0,0,0|2,0,0]=4 3258 B13R1.351 CC(F)C(=O)CCc1ccccc1 1458a_100000062450_100000765856 [1,1,0,0,0,0|0,0,2]=4 3259 B13R1.351 CC(F)C(=O)NCc1ccccc1 11a_100015324214_100000062450 [1,1,0,0,0,0|1,0,1]=4 3260 B13R1.351 CC(F)C(=O)NCc1ccccc1 1626a_100015324214_100000062450 [1,1,0,0,0,0|1,0,1]=4 3261 B13R1.351 CC(F)C(=O)NCc1ccccc1 240690a_100015324214_100000062450 [1,1,0,0,0,0|1,0,1]=4 3262 B13R1.351 CC(F)C(=O)NCc1ccccc1 527a_100015324214_100000062450 [1,1,0,0,0,0|1,0,1]=4 3263 B13R1.351 CC(F)C(=O)NNc1ccccc1 22a_100015195140_100000062450 [1,1,0,0,0,0|2,0,0]=4 3264 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 11a_100102631434_100000210462 [1,1,0,0,0,0|1,0,0]=3 3265 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 1626a_100102631434_100000210462 [1,1,0,0,0,0|1,0,0]=3 3266 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 11a_100102631434_100000740811 [1,1,0,0,0,0|2,0,0]=4 3267 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 240690a_100102631434_100000740811 [1,1,0,0,0,0|2,0,0]=4 3268 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 11a_100102631434_100000735890 [1,1,0,0,0,0|2,0,0]=4 3269 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 240690a_100102631434_100000735890 [1,1,0,0,0,0|2,0,0]=4 3270 B13R1.351 CN(C)C(=O)C=Cc1ccncc1 240690a_100102631434_100000682801 [1,1,0,0,0,0|2,0,0]=4 3271 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [1,1,0,0,0,0|0,0,2]=4 3272 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [1,1,0,0,0,0|1,0,1]=4 3273 B13R1.351 C[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000717761 [1,1,0,0,0,0|2,0,0]=4 3274 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [1,1,0,0,0,0|0,0,2]=4 3275 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [1,1,0,0,0,0|1,0,1]=4 3276 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [1,1,0,0,0,0|1,0,1]=4 3277 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_217856618621 [1,1,0,0,0,0|2,0,0]=4 3278 B13R1.528 CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210202 [1,1,0,0,0,0|0,0,2]=4 3279 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [1,1,0,0,0,0|0,0,0]=2 3280 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [1,1,0,0,0,0|0,0,0]=2 3281 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [1,1,0,0,0,0|0,0,0]=2 3282 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [1,1,0,0,0,0|0,0,0]=2 3283 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [1,1,0,0,0,0|0,0,2]=4 3284 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [1,1,0,0,0,0|0,0,2]=4 3285 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [1,1,0,0,0,0|0,0,2]=4 3286 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [1,1,0,0,0,0|0,0,2]=4 3287 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [1,1,0,0,0,0|0,0,2]=4 3288 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [1,1,0,0,0,0|0,0,2]=4 3289 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [1,1,0,0,0,0|0,0,2]=4 3290 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [1,1,0,0,0,0|0,0,2]=4 3291 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [1,1,0,0,0,0|0,0,2]=4 3292 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [1,1,0,0,0,0|0,0,2]=4 3293 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [1,1,0,0,0,0|0,0,2]=4 3294 B13R1.528 CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210202 [1,1,0,0,0,0|1,0,1]=4 3295 B13R1.528 CCC(=O)COc1ccccc1Br 7a_100000181306_100000747405 [1,1,0,0,0,0|1,0,1]=4 3296 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [1,1,0,0,0,0|1,0,1]=4 3297 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [1,1,0,0,0,0|1,0,1]=4 3298 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [1,1,0,0,0,0|1,0,1]=4 3299 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [1,1,0,0,0,0|1,0,1]=4 3300 B13R1.528 CCC(=O)COc1ccccc1F 1458a_100000182486_100000210202 [1,1,0,0,0,0|1,0,1]=4 3301 B13R1.528 CCC(=O)COc1ccccc1F 7a_100000210171_100000747405 [1,1,0,0,0,0|1,0,1]=4 3302 B13R1.528 CCC(=O)COc1ccccc1I 7a_100000739446_100000747405 [1,1,0,0,0,0|1,0,1]=4 3303 B13R1.528 CCC(=O)COc1ccccc1N 7a_100000185747_100000747405 [1,1,0,0,0,0|1,0,1]=4 3304 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [1,1,0,0,0,0|1,0,1]=4 3305 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000695589_100000747405 [1,1,0,0,0,0|1,0,1]=4 3306 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000747405_100000695589 [1,1,0,0,0,0|1,0,1]=4 3307 B13R1.528 CCC(=O)CSc1ccccc1C 1458a_100000183026_100000210202 [1,1,0,0,0,0|1,0,1]=4 3308 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000210755_100000747405 [1,1,0,0,0,0|1,0,1]=4 3309 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000747405_100000210755 [1,1,0,0,0,0|1,0,1]=4 3310 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000747405_100000764095 [1,1,0,0,0,0|1,0,1]=4 3311 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747405 [1,1,0,0,0,0|1,0,1]=4 3312 B13R1.528 CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210202 [1,1,0,0,0,0|1,0,1]=4 3313 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100000747405_100011215700 [1,1,0,0,0,0|1,0,1]=4 3314 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100011215700_100000747405 [1,1,0,0,0,0|1,0,1]=4 3315 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000210017_100000747405 [1,1,0,0,0,0|1,0,1]=4 3316 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000747405_100000210017 [1,1,0,0,0,0|1,0,1]=4 3317 B13R1.528 CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210202 [1,1,0,0,0,0|1,0,1]=4 3318 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000739446_100000747405 [1,1,0,0,0,0|1,0,1]=4 3319 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000747405_100000739446 [1,1,0,0,0,0|1,0,1]=4 3320 B13R1.528 CCC(=O)NCc1ccccc1Br 11a_100000689332_100000210414 [1,1,0,0,0,0|1,0,1]=4 3321 B13R1.528 CCC(=O)NCc1ccccc1Br 1626a_100000689332_100000210414 [1,1,0,0,0,0|1,0,1]=4 3322 B13R1.528 CCC(=O)NCc1ccccc1Br 240690a_100000689332_100000210414 [1,1,0,0,0,0|1,0,1]=4 3323 B13R1.528 CCC(=O)NCc1ccccc1Br 527a_100000689332_100000210414 [1,1,0,0,0,0|1,0,1]=4 3324 B13R1.528 CCC(=O)NCc1ccccc1C 11a_100000174972_100000210414 [1,1,0,0,0,0|1,0,1]=4 3325 B13R1.528 CCC(=O)NCc1ccccc1C 1626a_100000174972_100000210414 [1,1,0,0,0,0|1,0,1]=4 3326 B13R1.528 CCC(=O)NCc1ccccc1C 240690a_100000174972_100000210414 [1,1,0,0,0,0|1,0,1]=4 3327 B13R1.528 CCC(=O)NCc1ccccc1C 527a_100000174972_100000210414 [1,1,0,0,0,0|1,0,1]=4 3328 B13R1.528 CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210414 [1,1,0,0,0,0|1,0,1]=4 3329 B13R1.528 CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210414 [1,1,0,0,0,0|1,0,1]=4 3330 B13R1.528 CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210414 [1,1,0,0,0,0|1,0,1]=4 3331 B13R1.528 CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210414 [1,1,0,0,0,0|1,0,1]=4 3332 B13R1.528 CCC(=O)NCc1ccccc1F 11a_100000174869_100000210414 [1,1,0,0,0,0|1,0,1]=4 3333 B13R1.528 CCC(=O)NCc1ccccc1F 1626a_100000174869_100000210414 [1,1,0,0,0,0|1,0,1]=4 3334 B13R1.528 CCC(=O)NCc1ccccc1F 240690a_100000174869_100000210414 [1,1,0,0,0,0|1,0,1]=4 3335 B13R1.528 CCC(=O)NCc1ccccc1F 527a_100000174869_100000210414 [1,1,0,0,0,0|1,0,1]=4 3336 B13R1.528 CCC(=O)NCc1ccccc1I 11a_100015347259_100000210414 [1,1,0,0,0,0|1,0,1]=4 3337 B13R1.528 CCC(=O)NCc1ccccc1I 1626a_100015347259_100000210414 [1,1,0,0,0,0|1,0,1]=4 3338 B13R1.528 CCC(=O)NCc1ccccc1I 240690a_100015347259_100000210414 [1,1,0,0,0,0|1,0,1]=4 3339 B13R1.528 CCC(=O)NCc1ccccc1I 527a_100015347259_100000210414 [1,1,0,0,0,0|1,0,1]=4 3340 B13R1.528 CCC(=O)NCc1ccccc1O 240690a_100000185550_100000210414 [1,1,0,0,0,0|1,0,1]=4 3341 B13R1.528 CCC(=O)NCc1ccccc1O 527a_100000185550_100000210414 [1,1,0,0,0,0|1,0,1]=4 3342 B13R1.528 CCC(=O)NNc1ccccc1Br 22a_100000241748_100000210414 [1,1,0,0,0,0|2,0,0]=4 3343 B13R1.528 CCC(=O)NNc1ccccc1C 22a_100000184220_100000210414 [1,1,0,0,0,0|2,0,0]=4 3344 B13R1.528 CCC(=O)NNc1ccccc1Cl 22a_100000683529_100000210414 [1,1,0,0,0,0|2,0,0]=4 3345 B13R1.528 CCC(=O)NNc1ccccc1F 22a_100000239246_100000210414 [1,1,0,0,0,0|2,0,0]=4 3346 B13R1.528 CCC(=O)NNc1ccccc1I 22a_100011218156_100000210414 [1,1,0,0,0,0|2,0,0]=4 3347 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [1,1,0,0,0,0|1,0,0]=3 3348 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [1,1,0,0,0,0|1,0,0]=3 3349 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [1,1,0,0,0,0|1,0,0]=3 3350 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [1,1,0,0,0,0|1,0,0]=3 3351 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [1,1,0,0,0,0|1,0,0]=3 3352 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [1,1,0,0,0,0|1,0,0]=3 3353 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [1,1,0,0,0,0|1,0,0]=3 3354 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [1,1,0,0,0,0|1,0,0]=3 3355 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [1,1,0,0,0,0|1,0,0]=3 3356 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [1,1,0,0,0,0|1,0,0]=3 3357 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [1,1,0,0,0,0|0,0,0]=2 3358 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [1,1,0,0,0,0|0,0,2]=4 3359 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [1,1,0,0,0,0|1,0,1]=4 3360 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [1,1,0,0,0,0|1,0,1]=4 3361 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [1,1,0,0,0,0|1,0,1]=4 3362 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [1,1,0,0,0,0|1,0,1]=4 3363 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [1,1,0,0,0,0|1,0,1]=4 3364 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [1,1,0,0,0,0|1,0,1]=4 3365 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [1,1,0,0,0,0|1,0,1]=4 3366 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [1,1,0,0,0,0|1,0,1]=4 3367 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [1,1,0,0,0,0|1,0,1]=4 3368 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [1,1,0,0,0,0|1,0,1]=4 3369 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [1,1,0,0,0,0|1,0,1]=4 3370 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [1,1,0,0,0,0|1,0,1]=4 3371 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [1,1,0,0,0,0|1,0,1]=4 3372 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [1,1,0,0,0,0|1,0,1]=4 3373 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [1,1,0,0,0,0|1,0,1]=4 3374 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [1,1,0,0,0,0|1,0,1]=4 3375 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [1,1,0,0,0,0|1,0,1]=4 3376 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [1,1,0,0,0,0|1,0,1]=4 3377 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [1,1,0,0,0,0|1,0,1]=4 3378 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [1,1,0,0,0,0|1,0,1]=4 3379 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [1,1,0,0,0,0|1,0,1]=4 3380 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [1,1,0,0,0,0|1,0,1]=4 3381 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [1,1,0,0,0,0|1,0,1]=4 3382 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [1,1,0,0,0,0|1,0,1]=4 3383 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [1,1,0,0,0,0|1,0,1]=4 3384 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [1,1,0,0,0,0|1,0,1]=4 3385 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [1,1,0,0,0,0|1,0,1]=4 3386 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [1,1,0,0,0,0|1,0,1]=4 3387 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [1,1,0,0,0,0|1,0,1]=4 3388 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [1,1,0,0,0,0|1,0,1]=4 3389 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [1,1,0,0,0,0|1,0,1]=4 3390 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [1,1,0,0,0,0|1,0,0]=3 3391 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [1,1,0,0,0,0|1,0,0]=3 3392 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [1,1,0,0,0,0|1,0,0]=3 3393 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [1,1,0,0,0,0|1,0,0]=3 3394 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210303 [0,1,0,0,1,0|1,0,1]=4 3395 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000211992_100000189115 [0,1,0,0,1,0|1,0,1]=4 3396 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000211992_100000210814 [0,1,0,0,1,0|1,0,1]=4 3397 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210303 [0,1,0,0,1,0|1,0,1]=4 3398 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210303 [0,1,0,0,1,0|1,0,1]=4 3399 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211992_100000694040 [0,1,0,0,1,0|1,0,1]=4 3400 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210303 [0,1,0,0,1,0|1,0,1]=4 3401 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000211992_100000198546 [0,1,0,0,1,0|1,0,1]=4 3402 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000211992_100000189116 [0,1,0,0,1,0|1,0,1]=4 3403 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210303 [0,1,0,0,1,0|1,0,1]=4 3404 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [0,1,0,0,1,0|1,0,1]=4 3405 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000211992 [0,1,0,0,1,0|2,0,0]=4 3406 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000211992 [0,1,0,0,1,0|2,0,0]=4 3407 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000211992 [0,1,0,0,1,0|2,0,0]=4 3408 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000211992 [0,1,0,0,1,0|2,0,0]=4 3409 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000211992 [0,1,0,0,1,0|2,0,0]=4 3410 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000211992 [0,1,0,0,1,0|2,0,0]=4 3411 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000211992 [0,1,0,0,1,0|2,0,0]=4 3412 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000211992 [0,1,0,0,1,0|2,0,0]=4 3413 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000211992 [0,1,0,0,1,0|2,0,0]=4 3414 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000211992 [0,1,0,0,1,0|2,0,0]=4 3415 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000211992 [0,1,0,0,1,0|2,0,0]=4 3416 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000211992 [0,1,0,0,1,0|2,0,0]=4 3417 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000211992 [0,1,0,0,1,0|2,0,0]=4 3418 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000211992 [0,1,0,0,1,0|2,0,0]=4 3419 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000211992 [0,1,0,0,1,0|2,0,0]=4 3420 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000211992 [0,1,0,0,1,0|2,0,0]=4 3421 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000211992 [0,1,0,0,1,0|2,0,0]=4 3422 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000211992 [0,1,0,0,1,0|2,0,0]=4 3423 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000211992 [0,1,0,0,1,0|2,0,0]=4 3424 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000211992 [0,1,0,0,1,0|2,0,0]=4 3425 B13R1.19 CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211992 [0,1,0,0,1,0|2,0,0]=4 3426 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 11a_100015525214_100000198978 [0,1,0,0,1,0|1,0,1]=4 3427 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 240690a_100015525214_100000198978 [0,1,0,0,1,0|1,0,1]=4 3428 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 527a_100015525214_100000198978 [0,1,0,0,1,0|1,0,1]=4 3429 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 11a_100015525214_100000212244 [0,1,0,0,1,0|1,0,1]=4 3430 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 240690a_100015525214_100000212244 [0,1,0,0,1,0|1,0,1]=4 3431 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 527a_100015525214_100000212244 [0,1,0,0,1,0|1,0,1]=4 3432 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 11a_100015525214_100000211027 [0,1,0,0,1,0|1,0,1]=4 3433 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 240690a_100015525214_100000211027 [0,1,0,0,1,0|1,0,1]=4 3434 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 527a_100015525214_100000211027 [0,1,0,0,1,0|1,0,1]=4 3435 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 11a_100015525214_100000210951 [0,1,0,0,1,0|1,0,1]=4 3436 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 240690a_100015525214_100000210951 [0,1,0,0,1,0|1,0,1]=4 3437 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 527a_100015525214_100000210951 [0,1,0,0,1,0|1,0,1]=4 3438 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 11a_100015525214_100000688869 [0,1,0,0,1,0|1,0,1]=4 3439 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 240690a_100015525214_100000688869 [0,1,0,0,1,0|1,0,1]=4 3440 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 527a_100015525214_100000688869 [0,1,0,0,1,0|1,0,1]=4 3441 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 240690a_100015525214_100000198540 [0,1,0,0,1,0|1,0,1]=4 3442 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 527a_100015525214_100000198540 [0,1,0,0,1,0|1,0,1]=4 3443 B13R1.19 CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100015525214 [0,1,0,0,1,0|2,0,0]=4 3444 B13R1.19 CCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100015525214 [0,1,0,0,1,0|2,0,0]=4 3445 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100015525214 [0,1,0,0,1,0|2,0,0]=4 3446 B13R1.19 CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100015525214 [0,1,0,0,1,0|2,0,0]=4 3447 B13R1.19 CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100015525214 [0,1,0,0,1,0|2,0,0]=4 3448 B13R1.19 CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100015525214 [0,1,0,0,1,0|2,0,0]=4 3449 B13R1.19 CCOC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000170549 [0,1,0,0,1,0|0,0,1]=3 3450 B13R1.19 CCOC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012359163 [0,1,0,0,1,0|1,0,1]=4 3451 B13R1.19 CCOC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071673 [0,1,0,0,1,0|1,0,1]=4 3452 B13R1.19 CCOC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000158341 [0,1,0,0,1,0|1,0,0]=3 3453 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000211992_100000211773 [0,1,0,0,1,0|1,0,1]=4 3454 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210303 [0,1,0,0,1,0|1,0,1]=4 3455 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100000211992_100000211840 [0,1,0,0,1,0|1,0,1]=4 3456 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210303 [0,1,0,0,1,0|1,0,1]=4 3457 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000211992_100000181238 [0,1,0,0,1,0|1,0,1]=4 3458 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210303 [0,1,0,0,1,0|1,0,1]=4 3459 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210303 [0,1,0,0,1,0|1,0,1]=4 3460 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211992_100000230114 [0,1,0,0,1,0|1,0,1]=4 3461 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000211992_100011218688 [0,1,0,0,1,0|1,0,1]=4 3462 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210303 [0,1,0,0,1,0|1,0,1]=4 3463 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,1,0,0,1,0|1,0,1]=4 3464 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,1,0,0,1,0|1,0,1]=4 3465 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000211992 [0,1,0,0,1,0|2,0,0]=4 3466 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000211992 [0,1,0,0,1,0|2,0,0]=4 3467 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000211992 [0,1,0,0,1,0|2,0,0]=4 3468 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000211992 [0,1,0,0,1,0|2,0,0]=4 3469 B13R1.20 CCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000211992 [0,1,0,0,1,0|2,0,0]=4 3470 B13R1.20 CCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000211992 [0,1,0,0,1,0|2,0,0]=4 3471 B13R1.20 CCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000211992 [0,1,0,0,1,0|2,0,0]=4 3472 B13R1.20 CCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000211992 [0,1,0,0,1,0|2,0,0]=4 3473 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000211992 [0,1,0,0,1,0|2,0,0]=4 3474 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000211992 [0,1,0,0,1,0|2,0,0]=4 3475 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000211992 [0,1,0,0,1,0|2,0,0]=4 3476 B13R1.20 CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000211992 [0,1,0,0,1,0|2,0,0]=4 3477 B13R1.20 CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000211992 [0,1,0,0,1,0|2,0,0]=4 3478 B13R1.20 CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000211992 [0,1,0,0,1,0|2,0,0]=4 3479 B13R1.20 CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000211992 [0,1,0,0,1,0|2,0,0]=4 3480 B13R1.20 CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000211992 [0,1,0,0,1,0|2,0,0]=4 3481 B13R1.20 CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000211992 [0,1,0,0,1,0|2,0,0]=4 3482 B13R1.20 CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000211992 [0,1,0,0,1,0|2,0,0]=4 3483 B13R1.20 CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000211992 [0,1,0,0,1,0|2,0,0]=4 3484 B13R1.20 CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211992 [0,1,0,0,1,0|2,0,0]=4 3485 B13R1.20 CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211992 [0,1,0,0,1,0|2,0,0]=4 3486 B13R1.20 CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211992 [0,1,0,0,1,0|2,0,0]=4 3487 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 11a_100015525214_100000747190 [0,1,0,0,1,0|1,0,1]=4 3488 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 240690a_100015525214_100000747190 [0,1,0,0,1,0|1,0,1]=4 3489 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 527a_100015525214_100000747190 [0,1,0,0,1,0|1,0,1]=4 3490 B13R1.20 CCNC(=O)Cc1cccc(c1)C 11a_100015525214_100011206899 [0,1,0,0,1,0|1,0,1]=4 3491 B13R1.20 CCNC(=O)Cc1cccc(c1)C 240690a_100015525214_100011206899 [0,1,0,0,1,0|1,0,1]=4 3492 B13R1.20 CCNC(=O)Cc1cccc(c1)C 527a_100015525214_100011206899 [0,1,0,0,1,0|1,0,1]=4 3493 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 11a_100015525214_100000749307 [0,1,0,0,1,0|1,0,1]=4 3494 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 240690a_100015525214_100000749307 [0,1,0,0,1,0|1,0,1]=4 3495 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 527a_100015525214_100000749307 [0,1,0,0,1,0|1,0,1]=4 3496 B13R1.20 CCNC(=O)Cc1cccc(c1)F 11a_100015525214_100000211661 [0,1,0,0,1,0|1,0,1]=4 3497 B13R1.20 CCNC(=O)Cc1cccc(c1)F 240690a_100015525214_100000211661 [0,1,0,0,1,0|1,0,1]=4 3498 B13R1.20 CCNC(=O)Cc1cccc(c1)F 527a_100015525214_100000211661 [0,1,0,0,1,0|1,0,1]=4 3499 B13R1.20 CCNC(=O)Cc1cccc(c1)I 11a_100015525214_100000238430 [0,1,0,0,1,0|1,0,1]=4 3500 B13R1.20 CCNC(=O)Cc1cccc(c1)I 240690a_100015525214_100000238430 [0,1,0,0,1,0|1,0,1]=4 3501 B13R1.20 CCNC(=O)Cc1cccc(c1)I 527a_100015525214_100000238430 [0,1,0,0,1,0|1,0,1]=4 3502 B13R1.20 CCNC(=O)Cc1cccc(c1)O 240690a_100015525214_100000745134 [0,1,0,0,1,0|1,0,1]=4 3503 B13R1.20 CCNC(=O)Cc1cccc(c1)O 527a_100015525214_100000745134 [0,1,0,0,1,0|1,0,1]=4 3504 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100015525214 [0,1,0,0,1,0|2,0,0]=4 3505 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100015525214 [0,1,0,0,1,0|2,0,0]=4 3506 B13R1.20 CCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100015525214 [0,1,0,0,1,0|2,0,0]=4 3507 B13R1.20 CCNC(=O)Nc1cccc(c1)C 512a_100000188690_100015525214 [0,1,0,0,1,0|2,0,0]=4 3508 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100015525214 [0,1,0,0,1,0|2,0,0]=4 3509 B13R1.20 CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100015525214 [0,1,0,0,1,0|2,0,0]=4 3510 B13R1.20 CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100015525214 [0,1,0,0,1,0|2,0,0]=4 3511 B13R1.20 CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100015525214 [0,1,0,0,1,0|2,0,0]=4 3512 B13R1.20 CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100015525214 [0,1,0,0,1,0|2,0,0]=4 3513 B13R1.20 CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100015525214 [0,1,0,0,1,0|2,0,0]=4 3514 B13R1.20 CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100015525214 [0,1,0,0,1,0|2,0,0]=4 3515 B13R1.20 CCOC(=O)Cc1cc(ccn1)O 271570a_203496583355_100000716784 [0,1,0,0,1,0|1,0,1]=4 3516 B13R1.20 CCOC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586817 [0,1,0,0,1,0|0,0,1]=3 3517 B13R1.20 CCOC(=O)Cc1cccc(n1)O 271570a_203496583355_100010230180 [0,1,0,0,1,0|1,0,1]=4 3518 B13R1.20 CCOC(=O)Cc1ccnc(c1)O 271570a_203496583355_100000696486 [0,1,0,0,1,0|1,0,1]=4 3519 B13R1.47 C=C(C(=O)CCC)c1ccccc1 1458a_100000065200_100000210303 [0,1,0,0,1,0|1,0,0]=3 3520 B13R1.47 C=C(C(=O)CCF)c1ccccc1 1458a_100000065200_100011217306 [0,1,0,0,1,0|2,0,0]=4 3521 B13R1.47 C=C(C(=O)CCO)c1ccccc1 1458a_100000065200_100000211926 [0,1,0,0,1,0|2,0,0]=4 3522 B13R1.47 C=C(C(=O)NNC)c1ccccc1 22a_100016993582_100000065200 [0,1,0,0,1,0|2,0,0]=4 3523 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,1,0,0,1,0|1,0,1]=4 3524 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,1,0,0,1,0|1,0,1]=4 3525 B13R1.47 CCCC(=O)N(C)c1ccccc1 11a_100000210012_100000211992 [0,1,0,0,1,0|2,0,0]=4 3526 B13R1.47 CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211992 [0,1,0,0,1,0|2,0,0]=4 3527 B13R1.47 CCCC(=O)N(C)c1ccccc1 22a_100000210012_100000211992 [0,1,0,0,1,0|2,0,0]=4 3528 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,1,0,0,1,0|1,0,1]=4 3529 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,1,0,0,1,0|1,0,1]=4 3530 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,1,0,0,1,0|1,0,1]=4 3531 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,1,0,0,1,0|1,0,1]=4 3532 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,1,0,0,1,0|1,0,1]=4 3533 B13R1.47 CCNC(=O)N(C)c1ccccc1 512a_100015525214_100000210012 [0,1,0,0,1,0|2,0,0]=4 3534 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,1,0,0,1,0|1,0,1]=4 3535 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,1,0,0,1,0|1,0,1]=4 3536 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,1,0,0,1,0|1,0,1]=4 3537 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,1,0,0,1,0|1,0,1]=4 3538 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,1,0,0,1,0|1,0,1]=4 3539 B13R1.348 CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000210554 [0,1,0,0,1,0|2,0,0]=4 3540 B13R1.348 CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000210554 [0,1,0,0,1,0|2,0,0]=4 3541 B13R1.348 CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000210554 [0,1,0,0,1,0|2,0,0]=4 3542 B13R1.348 CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000210554 [0,1,0,0,1,0|2,0,0]=4 3543 B13R1.348 CC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100138425928 [0,1,0,0,1,0|2,0,0]=4 3544 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,1,0,0,1,0|1,0,1]=4 3545 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,1,0,0,1,0|2,0,0]=4 3546 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000211992_100000184730 [0,1,0,0,1,0|1,0,1]=4 3547 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210303 [0,1,0,0,1,0|1,0,1]=4 3548 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [0,1,0,0,1,0|1,0,1]=4 3549 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [0,1,0,0,1,0|1,0,1]=4 3550 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210303 [0,1,0,0,1,0|1,0,1]=4 3551 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000211992_100000187162 [0,1,0,0,1,0|1,0,1]=4 3552 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000211992_100000187165 [0,1,0,0,1,0|1,0,1]=4 3553 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210303 [0,1,0,0,1,0|1,0,1]=4 3554 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210303 [0,1,0,0,1,0|1,0,1]=4 3555 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000211992_100011216222 [0,1,0,0,1,0|1,0,1]=4 3556 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,1,0,0,1,0|1,0,1]=4 3557 B13R1.470 CCCC(=O)Nc1ccccc1Br 11a_100000210017_100000211992 [0,1,0,0,1,0|2,0,0]=4 3558 B13R1.470 CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000211992 [0,1,0,0,1,0|2,0,0]=4 3559 B13R1.470 CCCC(=O)Nc1ccccc1C 11a_100015192222_100000211992 [0,1,0,0,1,0|2,0,0]=4 3560 B13R1.470 CCCC(=O)Nc1ccccc1C 1626a_100015192222_100000211992 [0,1,0,0,1,0|2,0,0]=4 3561 B13R1.470 CCCC(=O)Nc1ccccc1C 22a_100015192222_100000211992 [0,1,0,0,1,0|2,0,0]=4 3562 B13R1.470 CCCC(=O)Nc1ccccc1C 527a_100015192222_100000211992 [0,1,0,0,1,0|2,0,0]=4 3563 B13R1.470 CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211992 [0,1,0,0,1,0|2,0,0]=4 3564 B13R1.470 CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211992 [0,1,0,0,1,0|2,0,0]=4 3565 B13R1.470 CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211992 [0,1,0,0,1,0|2,0,0]=4 3566 B13R1.470 CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211992 [0,1,0,0,1,0|2,0,0]=4 3567 B13R1.470 CCCC(=O)Nc1ccccc1F 11a_100000210422_100000211992 [0,1,0,0,1,0|2,0,0]=4 3568 B13R1.470 CCCC(=O)Nc1ccccc1F 1626a_100000210422_100000211992 [0,1,0,0,1,0|2,0,0]=4 3569 B13R1.470 CCCC(=O)Nc1ccccc1F 22a_100000210422_100000211992 [0,1,0,0,1,0|2,0,0]=4 3570 B13R1.470 CCCC(=O)Nc1ccccc1F 527a_100000210422_100000211992 [0,1,0,0,1,0|2,0,0]=4 3571 B13R1.470 CCCC(=O)Nc1ccccc1I 11a_100000210053_100000211992 [0,1,0,0,1,0|2,0,0]=4 3572 B13R1.470 CCCC(=O)Nc1ccccc1I 1626a_100000210053_100000211992 [0,1,0,0,1,0|2,0,0]=4 3573 B13R1.470 CCCC(=O)Nc1ccccc1O 22a_100000185747_100000211992 [0,1,0,0,1,0|2,0,0]=4 3574 B13R1.470 CCCC(=O)Nc1ccccc1O 271570a_203496583355_100000153530 [0,1,0,0,1,0|2,0,0]=4 3575 B13R1.470 CCCC(=O)Nc1ccccc1O 527a_100000185747_100000211992 [0,1,0,0,1,0|2,0,0]=4 3576 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [0,1,0,0,1,0|1,0,1]=4 3577 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [0,1,0,0,1,0|1,0,1]=4 3578 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [0,1,0,0,1,0|1,0,1]=4 3579 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,1,0,0,1,0|1,0,1]=4 3580 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,1,0,0,1,0|1,0,1]=4 3581 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,1,0,0,1,0|1,0,1]=4 3582 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [0,1,0,0,1,0|1,0,1]=4 3583 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [0,1,0,0,1,0|1,0,1]=4 3584 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [0,1,0,0,1,0|1,0,1]=4 3585 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,1,0,0,1,0|1,0,1]=4 3586 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,1,0,0,1,0|1,0,1]=4 3587 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,1,0,0,1,0|1,0,1]=4 3588 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [0,1,0,0,1,0|1,0,1]=4 3589 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [0,1,0,0,1,0|1,0,1]=4 3590 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [0,1,0,0,1,0|1,0,1]=4 3591 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [0,1,0,0,1,0|1,0,1]=4 3592 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [0,1,0,0,1,0|1,0,1]=4 3593 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [0,1,0,0,1,0|1,0,1]=4 3594 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [0,1,0,0,1,0|2,0,0]=4 3595 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [0,1,0,0,1,0|2,0,0]=4 3596 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,1,0,0,1,0|2,0,0]=4 3597 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [0,1,0,0,1,0|2,0,0]=4 3598 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [0,1,0,0,1,0|2,0,0]=4 3599 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [0,1,0,0,1,0|2,0,0]=4 3600 B13R1.470 CCOC(=O)Cc1ccccc1O 271570a_203496583355_100011218996 [0,1,0,0,1,0|0,0,1]=3 3601 B13R1.470 CCOC(=O)Cc1cccnc1O 271570a_203496583355_100009886914 [0,1,0,0,1,0|1,0,1]=4 3602 B13R1.470 CCOC(=O)Cc1ccncc1O 271570a_203496583355_100010089795 [0,1,0,0,1,0|1,0,1]=4 3603 B13R1.470 CCOC(=O)Cc1ncccc1O 271570a_203496583355_100016306959 [0,1,0,0,1,0|1,0,1]=4 3604 B13R1.33 CCOC(=O)/C=C(\C)/c1c[nH]cn1 271570a_100050291487_100000756875 [0,1,0,0,1,0|2,0,0]=4 3605 B13R1.33 CCOC(=O)/C=C(\C)/c1cc[nH]n1 271570a_100050291487_100000062575 [0,1,0,0,1,0|2,0,0]=4 3606 B13R1.33 CCOC(=O)/C=C(\C)/c1ccco1 271570a_100050291487_100009814098 [0,1,0,0,1,0|1,0,0]=3 3607 B13R1.33 CCOC(=O)/C=C(\C)/c1cccs1 271570a_100050291487_100011215356 [0,1,0,0,1,0|1,0,0]=3 3608 B13R1.33 CCOC(=O)/C=C(\C)/c1ccoc1 271570a_100050291487_100011215275 [0,1,0,0,1,0|1,0,0]=3 3609 B13R1.33 CCOC(=O)/C=C(\C)/c1ccsc1 271570a_100050291487_100000738268 [0,1,0,0,1,0|1,0,0]=3 3610 B13R1.33 CCOC(=O)/C=C(\C)/c1ccsn1 271570a_100050291487_100009818082 [0,1,0,0,1,0|2,0,0]=4 3611 B13R1.33 CCOC(=O)/C=C(\C)/c1cn[nH]c1 271570a_100050291487_100000238712 [0,1,0,0,1,0|2,0,0]=4 3612 B13R1.33 CCOC(=O)/C=C(\C)/c1cnco1 271570a_100050291487_100020591547 [0,1,0,0,1,0|2,0,0]=4 3613 B13R1.33 CCOC(=O)/C=C(\C)/c1cncs1 271570a_100050291487_100011934649 [0,1,0,0,1,0|2,0,0]=4 3614 B13R1.33 CCOC(=O)/C=C(\C)/c1cnoc1 271570a_100050291487_100009815712 [0,1,0,0,1,0|2,0,0]=4 3615 B13R1.33 CCOC(=O)/C=C(\C)/c1cnsc1 271570a_100050291487_100009815736 [0,1,0,0,1,0|2,0,0]=4 3616 B13R1.33 CCOC(=O)/C=C(\C)/c1cscn1 271570a_100050291487_100000751502 [0,1,0,0,1,0|2,0,0]=4 3617 B13R1.33 CCOC(=O)/C=C(\C)/c1ncc[nH]1 271570a_100050291487_100025796157 [0,1,0,0,1,0|2,0,0]=4 3618 B13R1.33 CCOC(=O)/C=C(\C)/c1ncco1 271570a_100050291487_100011787736 [0,1,0,0,1,0|2,0,0]=4 3619 B13R1.33 CCOC(=O)/C=C(\C)/c1nccs1 271570a_100050291487_100000211983 [0,1,0,0,1,0|2,0,0]=4 3620 B13R1.41 CCCC(=O)C=Cc1cc(c[nH]1)I 6a_100000071964_100011215381 [0,1,0,0,1,0|2,0,0]=4 3621 B13R1.41 CCCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100011215381 [0,1,0,0,1,0|2,0,0]=4 3622 B13R1.41 CCCC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_100000210303 [0,1,0,0,1,0|2,0,0]=4 3623 B13R1.41 CCCC(=O)C=Cc1cc(cs1)Br 6a_100000211722_100011215381 [0,1,0,0,1,0|2,0,0]=4 3624 B13R1.41 CCCC(=O)C=Cc1cc(cs1)I 6a_100010179861_100011215381 [0,1,0,0,1,0|2,0,0]=4 3625 B13R1.41 CCCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210303 [0,1,0,0,1,0|2,0,0]=4 3626 B13R1.41 CCCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210303 [0,1,0,0,1,0|2,0,0]=4 3627 B13R1.41 CCCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210303 [0,1,0,0,1,0|2,0,0]=4 3628 B13R1.41 CCCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100011215381 [0,1,0,0,1,0|2,0,0]=4 3629 B13R1.41 CCCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100000210303 [0,1,0,0,1,0|2,0,0]=4 3630 B13R1.41 CCCC(=O)C=Cc1ccc(s1)C 1458a_100102558089_100000210303 [0,1,0,0,1,0|2,0,0]=4 3631 B13R1.41 CCCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100000210303 [0,1,0,0,1,0|2,0,0]=4 3632 B13R1.41 CCCC(=O)C=Cc1csc(c1)Br 6a_100000737087_100011215381 [0,1,0,0,1,0|2,0,0]=4 3633 B13R1.41 CCNC(=O)C=Cc1cc(cs1)Br 11a_100015525214_100102601599 [0,1,0,0,1,0|2,0,0]=4 3634 B13R1.41 CCNC(=O)C=Cc1cc(cs1)Br 240690a_100015525214_100102601599 [0,1,0,0,1,0|2,0,0]=4 3635 B13R1.41 CCNC(=O)C=Cc1ccc(o1)Br 11a_100015525214_100000182240 [0,1,0,0,1,0|2,0,0]=4 3636 B13R1.41 CCNC(=O)C=Cc1ccc(o1)Br 240690a_100015525214_100000182240 [0,1,0,0,1,0|2,0,0]=4 3637 B13R1.41 CCNC(=O)C=Cc1ccc(o1)C 11a_100015525214_100000183563 [0,1,0,0,1,0|2,0,0]=4 3638 B13R1.41 CCNC(=O)C=Cc1ccc(o1)C 240690a_100015525214_100000183563 [0,1,0,0,1,0|2,0,0]=4 3639 B13R1.41 CCNC(=O)C=Cc1ccc(o1)C 527a_100015525214_100000183563 [0,1,0,0,1,0|2,0,0]=4 3640 B13R1.41 CCNC(=O)C=Cc1ccc(o1)I 11a_100015525214_100000679848 [0,1,0,0,1,0|2,0,0]=4 3641 B13R1.41 CCNC(=O)C=Cc1ccc(o1)I 240690a_100015525214_100000679848 [0,1,0,0,1,0|2,0,0]=4 3642 B13R1.41 CCNC(=O)C=Cc1ccc(s1)Br 11a_100015525214_100102558031 [0,1,0,0,1,0|2,0,0]=4 3643 B13R1.41 CCNC(=O)C=Cc1ccc(s1)Br 240690a_100015525214_100102558031 [0,1,0,0,1,0|2,0,0]=4 3644 B13R1.41 CCNC(=O)C=Cc1ccc(s1)C 11a_100015525214_100102558089 [0,1,0,0,1,0|2,0,0]=4 3645 B13R1.41 CCNC(=O)C=Cc1ccc(s1)C 240690a_100015525214_100102558089 [0,1,0,0,1,0|2,0,0]=4 3646 B13R1.41 CCNC(=O)C=Cc1ccc(s1)Cl 11a_100015525214_100102558157 [0,1,0,0,1,0|2,0,0]=4 3647 B13R1.41 CCNC(=O)C=Cc1ccc(s1)Cl 240690a_100015525214_100102558157 [0,1,0,0,1,0|2,0,0]=4 3648 B13R1.41 CCOC(=O)C=Cc1c[nH]c(n1)C 271570a_100010199719_100009814057 [0,1,0,0,1,0|2,0,0]=4 3649 B13R1.41 CCOC(=O)C=Cc1cc([nH]n1)C 271570a_100010199719_100015199547 [0,1,0,0,1,0|2,0,0]=4 3650 B13R1.41 CCOC(=O)C=Cc1cc([nH]n1)N 271570a_100010199719_100009822546 [0,1,0,0,1,0|2,0,0]=4 3651 B13R1.41 CCOC(=O)C=Cc1cc(cs1)C 271570a_100010199719_100009876951 [0,1,0,0,1,0|1,0,0]=3 3652 B13R1.41 CCOC(=O)C=Cc1cc(n[nH]1)Br 271570a_100010199719_100160470719 [0,1,0,0,1,0|2,0,0]=4 3653 B13R1.41 CCOC(=O)C=Cc1cc(ns1)C 271570a_100010199719_100009815735 [0,1,0,0,1,0|2,0,0]=4 3654 B13R1.41 CCOC(=O)C=Cc1ccc(s1)Br 271570a_100010199719_100010197418 [0,1,0,0,1,0|1,0,0]=3 3655 B13R1.41 CCOC(=O)C=Cc1ccc(s1)C 271570a_100010199719_100000761539 [0,1,0,0,1,0|1,0,0]=3 3656 B13R1.41 CCOC(=O)C=Cc1ccn(n1)C 271570a_100010199719_100000752436 [0,1,0,0,1,0|2,0,0]=4 3657 B13R1.41 CCOC(=O)C=Cc1cn(cn1)C 271570a_100010199719_100000040308 [0,1,0,0,1,0|2,0,0]=4 3658 B13R1.41 CCOC(=O)C=Cc1cnc(s1)C 271570a_100010199719_100000764884 [0,1,0,0,1,0|2,0,0]=4 3659 B13R1.41 CCOC(=O)C=Cc1cnn(c1)C 271570a_100010199719_100000748075 [0,1,0,0,1,0|2,0,0]=4 3660 B13R1.41 CCOC(=O)C=Cc1csc(c1)C 271570a_100010199719_100000759034 [0,1,0,0,1,0|1,0,0]=3 3661 B13R1.41 CCOC(=O)C=Cc1csc(n1)C 271570a_100010199719_100011934587 [0,1,0,0,1,0|2,0,0]=4 3662 B13R1.41 CCOC(=O)C=Cc1csc(n1)N 271570a_100010199719_100011998049 [0,1,0,0,1,0|2,0,0]=4 3663 B13R1.41 CCOC(=O)C=Cc1nc(c[nH]1)C 271570a_100010199719_100161115468 [0,1,0,0,1,0|2,0,0]=4 3664 B13R1.41 CCOC(=O)C=Cc1nc(cs1)Br 271570a_100010199719_200016082925 [0,1,0,0,1,0|2,0,0]=4 3665 B13R1.41 CCOC(=O)C=Cc1nc(cs1)C 271570a_100010199719_100011291629 [0,1,0,0,1,0|2,0,0]=4 3666 B13R1.41 CCOC(=O)C=Cc1nc(cs1)N 271570a_100010199719_200015188442 [0,1,0,0,1,0|2,0,0]=4 3667 B13R1.41 CCOC(=O)C=Cc1ncc(s1)C 271570a_100010199719_100000690809 [0,1,0,0,1,0|2,0,0]=4 3668 B13R1.66 CCCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210303 [0,1,0,0,1,0|2,0,0]=4 3669 B13R1.66 CCNC(=O)C(=Cc1ccco1)C 11a_100015525214_100011995979 [0,1,0,0,1,0|2,0,0]=4 3670 B13R1.66 CCNC(=O)C(=Cc1ccco1)C 527a_100015525214_100011995979 [0,1,0,0,1,0|2,0,0]=4 3671 B13R1.153 CCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210211 [0,1,0,0,1,0|2,0,0]=4 3672 B13R1.153 CCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210211 [0,1,0,0,1,0|2,0,0]=4 3673 B13R1.153 CCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210211 [0,1,0,0,1,0|2,0,0]=4 3674 B13R1.153 CCCNC(=O)C=Cc1cccs1 11a_100020643023_100000182767 [0,1,0,0,1,0|2,0,0]=4 3675 B13R1.153 CCCNC(=O)C=Cc1cccs1 1626a_100020643023_100000182767 [0,1,0,0,1,0|2,0,0]=4 3676 B13R1.153 CCCNC(=O)C=Cc1cccs1 240690a_100020643023_100000182767 [0,1,0,0,1,0|2,0,0]=4 3677 B13R1.153 CCCNC(=O)C=Cc1ccoc1 11a_100020643023_100000238621 [0,1,0,0,1,0|2,0,0]=4 3678 B13R1.153 CCCNC(=O)C=Cc1ccoc1 1626a_100020643023_100000238621 [0,1,0,0,1,0|2,0,0]=4 3679 B13R1.153 CCCNC(=O)C=Cc1ccoc1 240690a_100020643023_100000238621 [0,1,0,0,1,0|2,0,0]=4 3680 B13R1.153 CCCNC(=O)C=Cc1ccsc1 11a_100020643023_100000698588 [0,1,0,0,1,0|2,0,0]=4 3681 B13R1.153 CCCNC(=O)C=Cc1ccsc1 1626a_100020643023_100000698588 [0,1,0,0,1,0|2,0,0]=4 3682 B13R1.153 CCCNC(=O)C=Cc1ccsc1 240690a_100020643023_100000698588 [0,1,0,0,1,0|2,0,0]=4 3683 B13R1.153 CCCNC(=O)C=Cc1ccsc1 527a_100020643023_100000698588 [0,1,0,0,1,0|2,0,0]=4 3684 B13R1.153 CCNNC(=O)C=Cc1ccco1 22a_100000756455_100000720202 [0,1,0,0,1,0|2,0,0]=4 3685 B13R1.153 CCNNC(=O)C=Cc1cccs1 22a_100000756455_100000182767 [0,1,0,0,1,0|2,0,0]=4 3686 B13R1.153 CCNNC(=O)C=Cc1ccoc1 22a_100000756455_100000238621 [0,1,0,0,1,0|2,0,0]=4 3687 B13R1.153 CCNNC(=O)C=Cc1ccsc1 22a_100000756455_100000698588 [0,1,0,0,1,0|2,0,0]=4 3688 B13R1.153 CCOCC(=O)C=Cc1nccs1 6a_100000750902_100000209952 [0,1,0,0,1,0|2,0,0]=4 3689 B13R1.153 COCCC(=O)C=Cc1cccs1 1458a_100000182767_100000233755 [0,1,0,0,1,0|2,0,0]=4 3690 B13R1.153 COCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000233755 [0,1,0,0,1,0|2,0,0]=4 3691 B13R1.153 COCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000233755 [0,1,0,0,1,0|2,0,0]=4 3692 B13R1.153 CSCCC(=O)C=Cc1cccs1 1458a_100000182767_100000751147 [0,1,0,0,1,0|2,0,0]=4 3693 B13R1.153 CSCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000751147 [0,1,0,0,1,0|2,0,0]=4 3694 B13R1.153 CSCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000751147 [0,1,0,0,1,0|2,0,0]=4 3695 B13R1.153 O=C(C=Cc1cccs1)CCCF 1458a_100000182767_100011934791 [0,1,0,0,1,0|2,0,0]=4 3696 B13R1.153 O=C(C=Cc1cccs1)CCCO 1458a_100000182767_100011215043 [0,1,0,0,1,0|2,0,0]=4 3697 B13R1.153 O=C(C=Cc1cccs1)NCCF 11a_100000724931_100000182767 [0,1,0,0,1,0|2,0,0]=4 3698 B13R1.153 O=C(C=Cc1cccs1)NCCF 1626a_100000724931_100000182767 [0,1,0,0,1,0|2,0,0]=4 3699 B13R1.153 O=C(C=Cc1cccs1)NCCF 240690a_100000724931_100000182767 [0,1,0,0,1,0|2,0,0]=4 3700 B13R1.153 O=C(C=Cc1cccs1)NCCO 240690a_100000210304_100000182767 [0,1,0,0,1,0|2,0,0]=4 3701 B13R1.153 O=C(C=Cc1ccoc1)CCCF 1458a_100000238621_100011934791 [0,1,0,0,1,0|2,0,0]=4 3702 B13R1.153 O=C(C=Cc1ccoc1)CCCO 1458a_100000238621_100011215043 [0,1,0,0,1,0|2,0,0]=4 3703 B13R1.153 O=C(C=Cc1ccoc1)NCCF 11a_100000724931_100000238621 [0,1,0,0,1,0|2,0,0]=4 3704 B13R1.153 O=C(C=Cc1ccoc1)NCCF 1626a_100000724931_100000238621 [0,1,0,0,1,0|2,0,0]=4 3705 B13R1.153 O=C(C=Cc1ccoc1)NCCF 240690a_100000724931_100000238621 [0,1,0,0,1,0|2,0,0]=4 3706 B13R1.153 O=C(C=Cc1ccoc1)NCCO 240690a_100000210304_100000238621 [0,1,0,0,1,0|2,0,0]=4 3707 B13R1.153 O=C(C=Cc1ccsc1)CCCF 1458a_100000698588_100011934791 [0,1,0,0,1,0|2,0,0]=4 3708 B13R1.153 O=C(C=Cc1ccsc1)CCCO 1458a_100000698588_100011215043 [0,1,0,0,1,0|2,0,0]=4 3709 B13R1.153 O=C(C=Cc1ccsc1)NCCF 11a_100000724931_100000698588 [0,1,0,0,1,0|2,0,0]=4 3710 B13R1.153 O=C(C=Cc1ccsc1)NCCF 1626a_100000724931_100000698588 [0,1,0,0,1,0|2,0,0]=4 3711 B13R1.153 O=C(C=Cc1ccsc1)NCCF 240690a_100000724931_100000698588 [0,1,0,0,1,0|2,0,0]=4 3712 B13R1.153 O=C(C=Cc1ccsc1)NCCF 527a_100000724931_100000698588 [0,1,0,0,1,0|2,0,0]=4 3713 B13R1.153 O=C(C=Cc1ccsc1)NCCO 240690a_100000210304_100000698588 [0,1,0,0,1,0|2,0,0]=4 3714 B13R1.153 O=C(C=Cc1ccsc1)NCCO 527a_100000210304_100000698588 [0,1,0,0,1,0|2,0,0]=4 3715 B13R1.444 CCCC(=O)C=Cc1sccc1C 1458a_100000185125_100000210303 [0,1,0,0,1,0|2,0,0]=4 3716 B13R1.444 CCNC(=O)C=Cc1sccc1C 11a_100015525214_100000185125 [0,1,0,0,1,0|2,0,0]=4 3717 B13R1.444 CCNC(=O)C=Cc1sccc1C 240690a_100015525214_100000185125 [0,1,0,0,1,0|2,0,0]=4 3718 B13R1.444 CCNC(=O)C=Cc1sccc1C 527a_100015525214_100000185125 [0,1,0,0,1,0|2,0,0]=4 3719 B13R1.444 CCOC(=O)C=Cc1[nH]cnc1Cl 271570a_100010199719_100010200774 [0,1,0,0,1,0|2,0,0]=4 3720 B13R1.444 CCOC(=O)C=Cc1c[nH]nc1Br 271570a_100010199719_100011012988 [0,1,0,0,1,0|2,0,0]=4 3721 B13R1.444 CCOC(=O)C=Cc1c[nH]nc1C 271570a_100010199719_100011912673 [0,1,0,0,1,0|2,0,0]=4 3722 B13R1.444 CCOC(=O)C=Cc1c[nH]nc1F 271570a_100010199719_100015597042 [0,1,0,0,1,0|2,0,0]=4 3723 B13R1.444 CCOC(=O)C=Cc1c[nH]nc1N 271570a_100010199719_100000717100 [0,1,0,0,1,0|2,0,0]=4 3724 B13R1.444 CCOC(=O)C=Cc1ccnn1C 271570a_100010199719_100000688441 [0,1,0,0,1,0|2,0,0]=4 3725 B13R1.444 CCOC(=O)C=Cc1ccsc1C 271570a_100010199719_100000684487 [0,1,0,0,1,0|1,0,0]=3 3726 B13R1.444 CCOC(=O)C=Cc1cncn1C 271570a_100010199719_100009814087 [0,1,0,0,1,0|2,0,0]=4 3727 B13R1.444 CCOC(=O)C=Cc1cnoc1C 271570a_100010199719_100009872056 [0,1,0,0,1,0|2,0,0]=4 3728 B13R1.444 CCOC(=O)C=Cc1conc1N 271570a_100010199719_100012597345 [0,1,0,0,1,0|2,0,0]=4 3729 B13R1.444 CCOC(=O)C=Cc1cscc1Br 271570a_100010199719_100010143727 [0,1,0,0,1,0|1,0,0]=3 3730 B13R1.444 CCOC(=O)C=Cc1cscc1C 271570a_100010199719_100000759966 [0,1,0,0,1,0|1,0,0]=3 3731 B13R1.444 CCOC(=O)C=Cc1n[nH]cc1Br 271570a_100010199719_100015839836 [0,1,0,0,1,0|2,0,0]=4 3732 B13R1.444 CCOC(=O)C=Cc1n[nH]cc1C 271570a_100010199719_100009871783 [0,1,0,0,1,0|2,0,0]=4 3733 B13R1.444 CCOC(=O)C=Cc1n[nH]cc1N 271570a_100010199719_100010894806 [0,1,0,0,1,0|2,0,0]=4 3734 B13R1.444 CCOC(=O)C=Cc1nc[nH]c1C 271570a_100010199719_100009816806 [0,1,0,0,1,0|2,0,0]=4 3735 B13R1.444 CCOC(=O)C=Cc1nccn1C 271570a_100010199719_100000707724 [0,1,0,0,1,0|2,0,0]=4 3736 B13R1.444 CCOC(=O)C=Cc1ncsc1C 271570a_100010199719_100000732656 [0,1,0,0,1,0|2,0,0]=4 3737 B13R1.444 CCOC(=O)C=Cc1sccc1Br 271570a_100010199719_100012361411 [0,1,0,0,1,0|1,0,0]=3 3738 B13R1.444 CCOC(=O)C=Cc1sccc1C 271570a_100010199719_100000742657 [0,1,0,0,1,0|1,0,0]=3 3739 B13R1.444 CCOC(=O)C=Cc1scnc1C 271570a_100010199719_100009817116 [0,1,0,0,1,0|2,0,0]=4 3740 B13R1.554 CCC(C)C(=O)C=Cc1cccs1 1458a_100000182767_100000758301 [0,1,0,0,1,0|2,0,0]=4 3741 B13R1.554 CCC(C)C(=O)C=Cc1ccoc1 1458a_100000238621_100000758301 [0,1,0,0,1,0|2,0,0]=4 3742 B13R1.554 CCC(C)C(=O)C=Cc1ccsc1 1458a_100000698588_100000758301 [0,1,0,0,1,0|2,0,0]=4 3743 B13R1.554 CCN(C)C(=O)C=Cc1cccs1 11a_100000225621_100000182767 [0,1,0,0,1,0|2,0,0]=4 3744 B13R1.554 CCN(C)C(=O)C=Cc1cccs1 1626a_100000225621_100000182767 [0,1,0,0,1,0|2,0,0]=4 3745 B13R1.554 CCN(C)C(=O)C=Cc1cccs1 240690a_100000225621_100000182767 [0,1,0,0,1,0|2,0,0]=4 3746 B13R1.554 CCN(C)C(=O)C=Cc1ccoc1 11a_100000225621_100000238621 [0,1,0,0,1,0|2,0,0]=4 3747 B13R1.554 CCN(C)C(=O)C=Cc1ccoc1 1626a_100000225621_100000238621 [0,1,0,0,1,0|2,0,0]=4 3748 B13R1.554 CCN(C)C(=O)C=Cc1ccoc1 240690a_100000225621_100000238621 [0,1,0,0,1,0|2,0,0]=4 3749 B13R1.554 CCN(C)C(=O)C=Cc1ccsc1 11a_100000225621_100000698588 [0,1,0,0,1,0|2,0,0]=4 3750 B13R1.554 CCN(C)C(=O)C=Cc1ccsc1 1626a_100000225621_100000698588 [0,1,0,0,1,0|2,0,0]=4 3751 B13R1.554 CCN(C)C(=O)C=Cc1ccsc1 240690a_100000225621_100000698588 [0,1,0,0,1,0|2,0,0]=4 3752 B13R1.554 CCN(C)C(=O)C=Cc1ccsc1 527a_100000225621_100000698588 [0,1,0,0,1,0|2,0,0]=4 3753 B13R1.593 CC(C)CC(=O)C=Cc1cccs1 1458a_100000182767_100000210624 [0,1,0,0,1,0|2,0,0]=4 3754 B13R1.593 CC(C)CC(=O)C=Cc1ccoc1 1458a_100000238621_100000210624 [0,1,0,0,1,0|2,0,0]=4 3755 B13R1.593 CC(C)CC(=O)C=Cc1ccsc1 1458a_100000698588_100000210624 [0,1,0,0,1,0|2,0,0]=4 3756 B13R1.593 CC(C)NC(=O)C=Cc1cccs1 11a_100138425928_100000182767 [0,1,0,0,1,0|2,0,0]=4 3757 B13R1.593 CC(C)NC(=O)C=Cc1cccs1 1626a_100138425928_100000182767 [0,1,0,0,1,0|2,0,0]=4 3758 B13R1.593 CC(C)NC(=O)C=Cc1cccs1 240690a_100138425928_100000182767 [0,1,0,0,1,0|2,0,0]=4 3759 B13R1.593 CC(C)NC(=O)C=Cc1ccoc1 11a_100138425928_100000238621 [0,1,0,0,1,0|2,0,0]=4 3760 B13R1.593 CC(C)NC(=O)C=Cc1ccoc1 1626a_100138425928_100000238621 [0,1,0,0,1,0|2,0,0]=4 3761 B13R1.593 CC(C)NC(=O)C=Cc1ccoc1 240690a_100138425928_100000238621 [0,1,0,0,1,0|2,0,0]=4 3762 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 11a_100138425928_100000698588 [0,1,0,0,1,0|2,0,0]=4 3763 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 1626a_100138425928_100000698588 [0,1,0,0,1,0|2,0,0]=4 3764 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 240690a_100138425928_100000698588 [0,1,0,0,1,0|2,0,0]=4 3765 B13R1.593 CC(C)NC(=O)C=Cc1ccsc1 527a_100138425928_100000698588 [0,1,0,0,1,0|2,0,0]=4 3766 B13R1.593 CC(O)CC(=O)C=Cc1cccs1 1458a_100000182767_100011218427 [0,1,0,0,1,0|2,0,0]=4 3767 B13R1.593 CC(O)CC(=O)C=Cc1ccoc1 1458a_100000238621_100011218427 [0,1,0,0,1,0|2,0,0]=4 3768 B13R1.593 CC(O)CC(=O)C=Cc1ccsc1 1458a_100000698588_100011218427 [0,1,0,0,1,0|2,0,0]=4 3769 B15R1.11 CCCC(=O)NN=Cc1ccc(cc1)Br 4a_100000189770_100000186029 [0,1,0,0,0,1|2,0,0]=4 3770 B15R1.11 CCCC(=O)NN=Cc1ccc(cc1)C 4a_100000189770_100000211033 [0,1,0,0,0,1|2,0,0]=4 3771 B15R1.11 CCCC(=O)NN=Cc1ccc(cc1)Cl 4a_100000189770_100000189385 [0,1,0,0,0,1|2,0,0]=4 3772 B15R1.11 CCCC(=O)NN=Cc1ccc(cc1)F 4a_100000189770_100000210084 [0,1,0,0,0,1|2,0,0]=4 3773 B15R1.11 CCCC(=O)NN=Cc1ccc(cc1)I 4a_100000189770_100000188517 [0,1,0,0,0,1|2,0,0]=4 3774 B15R1.11 CCCC(=O)NN=Cc1ccc(cc1)O 4a_100000189770_100000185832 [0,1,0,0,0,1|2,0,0]=4 3775 B15R1.11 CCOC(=O)C=NNc1ccc(cc1)Br 4a_100000735608_100000742314 [0,1,0,0,0,1|1,0,0]=3 3776 B15R1.11 CCOC(=O)C=NNc1ccc(cc1)C 4a_100000683527_100000742314 [0,1,0,0,0,1|1,0,0]=3 3777 B15R1.11 CCOC(=O)C=NNc1ccc(cc1)Cl 4a_100000683521_100000742314 [0,1,0,0,0,1|1,0,0]=3 3778 B15R1.11 CCOC(=O)C=NNc1ccc(cc1)F 4a_100000728448_100000742314 [0,1,0,0,0,1|1,0,0]=3 3779 B15R1.11 CCOC(=O)C=NNc1ccc(cc1)I 4a_100016988836_100000742314 [0,1,0,0,0,1|1,0,0]=3 3780 B15R1.11 CCOC(=O)C=NNc1ccc(cn1)Br 4a_100000750576_100000742314 [0,1,0,0,0,1|2,0,0]=4 3781 B15R1.11 CCOC(=O)C=NNc1ccc(cn1)C 4a_100000746693_100000742314 [0,1,0,0,0,1|2,0,0]=4 3782 B15R1.11 CCOC(=O)C=NNc1ccc(cn1)Cl 4a_100011206499_100000742314 [0,1,0,0,0,1|2,0,0]=4 3783 B15R1.11 CCOC(=O)C=NNc1ccc(cn1)F 4a_100000753838_100000742314 [0,1,0,0,0,1|2,0,0]=4 3784 B15R1.11 CCOC(=O)C=NNc1ccc(cn1)I 4a_100010221006_100000742314 [0,1,0,0,0,1|2,0,0]=4 3785 B15R1.11 CCOC(=O)C=NNc1ccc(nc1)Br 4a_100000755011_100000742314 [0,1,0,0,0,1|2,0,0]=4 3786 B15R1.11 CCOC(=O)C=NNc1ccc(nc1)C 4a_100020639869_100000742314 [0,1,0,0,0,1|2,0,0]=4 3787 B15R1.11 CCOC(=O)C=NNc1ccc(nc1)Cl 4a_100000119030_100000742314 [0,1,0,0,0,1|2,0,0]=4 3788 B15R1.11 CCOC(=O)C=NNc1ccc(nc1)F 4a_100000120849_100000742314 [0,1,0,0,0,1|2,0,0]=4 3789 B15R1.11 CCOC(=O)CCCc1ccc(cc1)O 271570a_203496583355_100010203577 [0,1,0,0,0,1|0,0,2]=4 3790 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100011206558 [0,1,0,0,0,1|0,0,2]=4 3791 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000765890 [0,1,0,0,0,1|0,0,2]=4 3792 B15R1.11 CCOC(=O)CCNc1ccc(cc1)C 34a_100000124888_100000765890 [0,1,0,0,0,1|0,0,2]=4 3793 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100011206558 [0,1,0,0,0,1|0,0,2]=4 3794 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000765890 [0,1,0,0,0,1|0,0,2]=4 3795 B15R1.11 CCOC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000765890 [0,1,0,0,0,1|0,0,2]=4 3796 B15R1.11 CCOC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000765890 [0,1,0,0,0,1|0,0,2]=4 3797 B15R1.11 CCOC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000765890 [0,1,0,0,0,1|0,0,2]=4 3798 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000765890 [0,1,0,0,0,1|0,0,2]=4 3799 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100011206558 [0,1,0,0,0,1|0,0,2]=4 3800 B15R1.11 CCOC(=O)CCOc1ccc(cc1)C 34a_100000210336_100000765890 [0,1,0,0,0,1|0,0,2]=4 3801 B15R1.11 CCOC(=O)CCOc1ccc(cc1)C 7a_100000210336_100011206558 [0,1,0,0,0,1|0,0,2]=4 3802 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000765890 [0,1,0,0,0,1|0,0,2]=4 3803 B15R1.11 CCOC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100011206558 [0,1,0,0,0,1|0,0,2]=4 3804 B15R1.11 CCOC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000765890 [0,1,0,0,0,1|0,0,2]=4 3805 B15R1.11 CCOC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000765890 [0,1,0,0,0,1|0,0,2]=4 3806 B15R1.11 CCOC(=O)CCOc1ccc(cc1)I 7a_100000212066_100011206558 [0,1,0,0,0,1|0,0,2]=4 3807 B15R1.11 CCOC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000765890 [0,1,0,0,0,1|0,0,2]=4 3808 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000765890 [0,1,0,0,0,1|0,0,2]=4 3809 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Br 62a_100000765890_100000752885 [0,1,0,0,0,1|0,0,2]=4 3810 B15R1.11 CCOC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000765890 [0,1,0,0,0,1|0,0,2]=4 3811 B15R1.11 CCOC(=O)CCSc1ccc(cc1)C 62a_100000765890_100000186775 [0,1,0,0,0,1|0,0,2]=4 3812 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000765890 [0,1,0,0,0,1|0,0,2]=4 3813 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Cl 62a_100000765890_100000755918 [0,1,0,0,0,1|0,0,2]=4 3814 B15R1.11 CCOC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000765890 [0,1,0,0,0,1|0,0,2]=4 3815 B15R1.11 CCOC(=O)CCSc1ccc(cc1)F 62a_100000765890_100000211213 [0,1,0,0,0,1|0,0,2]=4 3816 B15R1.11 CCOC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000765890 [0,1,0,0,0,1|0,0,2]=4 3817 B15R1.11 CCOC(=O)CCSc1ccc(cc1)N 62a_100000765890_100000185761 [0,1,0,0,0,1|0,0,2]=4 3818 B15R1.11 CCOC(=O)CCSc1ccc(cc1)O 62a_100000765890_100000185759 [0,1,0,0,0,1|0,0,2]=4 3819 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000188475 [0,1,0,0,0,1|0,0,2]=4 3820 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000188475 [0,1,0,0,0,1|0,0,2]=4 3821 B15R1.11 CCOC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000188475 [0,1,0,0,0,1|0,0,2]=4 3822 B15R1.11 CCOC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000188475 [0,1,0,0,0,1|0,0,2]=4 3823 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000188475 [0,1,0,0,0,1|0,0,2]=4 3824 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000188475 [0,1,0,0,0,1|0,0,2]=4 3825 B15R1.11 CCOC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000188475 [0,1,0,0,0,1|0,0,2]=4 3826 B15R1.11 CCOC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000188475 [0,1,0,0,0,1|0,0,2]=4 3827 B15R1.11 CCOC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000188475 [0,1,0,0,0,1|0,0,2]=4 3828 B15R1.11 CCOC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000188475 [0,1,0,0,0,1|0,0,2]=4 3829 B15R1.11 CCOC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000188475 [0,1,0,0,0,1|0,0,2]=4 3830 B15R1.11 CCOC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000188475 [0,1,0,0,0,1|0,0,2]=4 3831 B15R1.11 CCOC(=O)COCc1ccc(cc1)C 34a_100011215236_100000188475 [0,1,0,0,0,1|0,0,2]=4 3832 B15R1.11 CCOC(=O)COCc1ccc(cc1)C 7a_100011215236_100000188475 [0,1,0,0,0,1|0,0,2]=4 3833 B15R1.11 CCOC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000188475 [0,1,0,0,0,1|0,0,2]=4 3834 B15R1.11 CCOC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000188475 [0,1,0,0,0,1|0,0,2]=4 3835 B15R1.11 CCOC(=O)COCc1ccc(cc1)F 34a_100000210977_100000188475 [0,1,0,0,0,1|0,0,2]=4 3836 B15R1.11 CCOC(=O)COCc1ccc(cc1)F 7a_100000210977_100000188475 [0,1,0,0,0,1|0,0,2]=4 3837 B15R1.11 CCOC(=O)COCc1ccc(cc1)I 34a_100000690907_100000188475 [0,1,0,0,0,1|0,0,2]=4 3838 B15R1.11 CCOC(=O)COCc1ccc(cc1)I 7a_100000690907_100000188475 [0,1,0,0,0,1|0,0,2]=4 3839 B15R1.11 CCOC(=O)COCc1ccc(cc1)N 34a_100011215238_100000188475 [0,1,0,0,0,1|0,0,2]=4 3840 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Br 62a_100000188475_100000189115 [0,1,0,0,0,1|0,0,2]=4 3841 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000188475 [0,1,0,0,0,1|0,0,2]=4 3842 B15R1.11 CCOC(=O)CSCc1ccc(cc1)C 62a_100000188475_100000210814 [0,1,0,0,0,1|0,0,2]=4 3843 B15R1.11 CCOC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000188475 [0,1,0,0,0,1|0,0,2]=4 3844 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000188475 [0,1,0,0,0,1|0,0,2]=4 3845 B15R1.11 CCOC(=O)CSCc1ccc(cc1)Cl 62a_100000188475_100000187161 [0,1,0,0,0,1|0,0,2]=4 3846 B15R1.11 CCOC(=O)CSCc1ccc(cc1)F 62a_100000188475_100000187164 [0,1,0,0,0,1|0,0,2]=4 3847 B15R1.11 CCOC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000188475 [0,1,0,0,0,1|0,0,2]=4 3848 B15R1.11 CCOC(=O)CSCc1ccc(cc1)I 62a_100000188475_100000189116 [0,1,0,0,0,1|0,0,2]=4 3849 B15R1.11 CCOC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000188475 [0,1,0,0,0,1|0,0,2]=4 3850 B15R1.11 CCOC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000075025 [0,1,0,0,0,1|1,0,1]=4 3851 B15R1.11 CCOC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000075025 [0,1,0,0,0,1|1,0,1]=4 3852 B15R1.11 CCOC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000075025 [0,1,0,0,0,1|1,0,1]=4 3853 B15R1.11 CCOC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000075025 [0,1,0,0,0,1|1,0,1]=4 3854 B15R1.11 CCOC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000075025 [0,1,0,0,0,1|1,0,1]=4 3855 B15R1.89 CCCC(=O)CCC(=O)c1ccccc1 1458a_100000211992_100000750707 [0,1,0,0,0,1|1,0,1]=4 3856 B15R1.89 CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210303 [0,1,0,0,0,1|1,0,1]=4 3857 B15R1.89 CCCC(=O)COC(=O)c1ccccc1 1458a_100000211992_100000073877 [0,1,0,0,0,1|1,0,1]=4 3858 B15R1.89 CCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210303 [0,1,0,0,0,1|1,0,1]=4 3859 B15R1.89 CCCC(=O)NN=C(C)c1ccccc1 4a_100000189770_100000185851 [0,1,0,0,0,1|2,0,0]=4 3860 B15R1.89 CCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000211992 [0,1,0,0,0,1|2,0,0]=4 3861 B15R1.89 CCCC(=O)NNC(=O)c1ccccc1 22a_100000189770_100000185807 [0,1,0,0,0,1|2,0,0]=4 3862 B15R1.89 CCCC(=O)OCC(=O)c1ccccc1 1458a_100000185807_100000034017 [0,1,0,0,0,1|1,0,1]=4 3863 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 11a_100015525214_100000182045 [0,1,0,0,0,1|1,0,1]=4 3864 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 11a_100016988866_100000185807 [0,1,0,0,0,1|1,0,1]=4 3865 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 1626a_100016988866_100000185807 [0,1,0,0,0,1|1,0,1]=4 3866 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 240690a_100015525214_100000182045 [0,1,0,0,0,1|1,0,1]=4 3867 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 240690a_100016988866_100000185807 [0,1,0,0,0,1|1,0,1]=4 3868 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 527a_100015525214_100000182045 [0,1,0,0,0,1|1,0,1]=4 3869 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 527a_100016988866_100000185807 [0,1,0,0,0,1|1,0,1]=4 3870 B15R1.89 CCNC(=O)CSC(=S)c1ccccc1 240690a_100015525214_100000043459 [0,1,0,0,0,1|1,0,1]=4 3871 B15R1.89 CCNC(=O)CSC(=S)c1ccccc1 527a_100015525214_100000043459 [0,1,0,0,0,1|1,0,1]=4 3872 B15R1.89 CCNC(=O)NNC(=O)c1ccccc1 273464a_100015525214_100000184135 [0,1,0,0,0,1|2,0,0]=4 3873 B15R1.89 CCNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100015525214 [0,1,0,0,0,1|2,0,0]=4 3874 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 2230a_100000210012_100011206558 [0,1,0,0,0,1|0,0,2]=4 3875 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 269982a_100000210012_100011206558 [0,1,0,0,0,1|0,0,2]=4 3876 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 269982a_200011277725_200000210301 [0,1,0,0,0,1|0,0,2]=4 3877 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 34a_100000210012_100000765890 [0,1,0,0,0,1|0,0,2]=4 3878 B15R1.89 CCOC(=O)CCN([13CH3])c1ccccc1 269982a_200011277725_200025704644 [0,1,0,0,0,1|0,0,2]=4 3879 B15R1.89 CCOC(=O)CNC(=O)c1ccccc1 188690a_100000741813_100000185807 [0,1,0,0,0,1|0,0,1]=3 3880 B15R1.89 CCOC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000188475 [0,1,0,0,0,1|0,0,2]=4 3881 B15R1.89 CCOC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000188475 [0,1,0,0,0,1|0,0,2]=4 3882 B15R1.89 CCOC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000188475 [0,1,0,0,0,1|0,0,2]=4 3883 B15R1.89 CCOC(=O)CSC(C)c1ccccc1 62a_100000188475_100000230085 [0,1,0,0,0,1|0,0,2]=4 3884 B15R1.89 CCOC(=O)CSC(C)c1ccccc1 62a_100000230085_100000188475 [0,1,0,0,0,1|0,0,2]=4 3885 B15R1.157 C#CCCC(=O)C/C=C/c1ccccc1 1458a_100000692101_100016265936 [0,1,0,0,0,1|1,0,1]=4 3886 B15R1.157 C#CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000753159 [0,1,0,0,0,1|1,0,1]=4 3887 B15R1.157 C#CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000753159 [0,1,0,0,0,1|1,0,1]=4 3888 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 11a_100000212058_100011219626 [0,1,0,0,0,1|1,0,1]=4 3889 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 1626a_100000212058_100011219626 [0,1,0,0,0,1|1,0,1]=4 3890 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 240690a_100000212058_100011219626 [0,1,0,0,0,1|1,0,1]=4 3891 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 11a_100000212058_100016262050 [0,1,0,0,0,1|1,0,1]=4 3892 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 1626a_100000212058_100016262050 [0,1,0,0,0,1|1,0,1]=4 3893 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 240690a_100000212058_100016262050 [0,1,0,0,0,1|1,0,1]=4 3894 B15R1.157 C/C=C/CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100102629194 [0,1,0,0,0,1|1,0,1]=4 3895 B15R1.157 C/C=C/CC(=O)C=CSc1ccccc1 1458a_100016262050_100102629194 [0,1,0,0,0,1|1,0,1]=4 3896 B15R1.157 C=CCCC(=O)C/C=C/c1ccccc1 1458a_100000749702_100016265936 [0,1,0,0,0,1|1,0,1]=4 3897 B15R1.157 C=CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000754431 [0,1,0,0,0,1|1,0,1]=4 3898 B15R1.157 C=CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000754431 [0,1,0,0,0,1|1,0,1]=4 3899 B15R1.157 C=CCNC(=O)C/C=C/c1ccccc1 1626a_100020586998_100011219626 [0,1,0,0,0,1|1,0,1]=4 3900 B15R1.157 C=CCNC(=O)C/C=C/c1ccccc1 240690a_100020586998_100011219626 [0,1,0,0,0,1|1,0,1]=4 3901 B15R1.157 C=CCNC(=O)C=CSc1ccccc1 1626a_100020586998_100016262050 [0,1,0,0,0,1|1,0,1]=4 3902 B15R1.157 C=CCNC(=O)C=CSc1ccccc1 240690a_100020586998_100016262050 [0,1,0,0,0,1|1,0,1]=4 3903 B15R1.157 CC#CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000748600 [0,1,0,0,0,1|1,0,1]=4 3904 B15R1.157 CC#CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000748600 [0,1,0,0,0,1|1,0,1]=4 3905 B15R1.157 CC=CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000070051 [0,1,0,0,0,1|1,0,1]=4 3906 B15R1.157 CC=CCC(=O)C/C=C/c1ccccc1 1458a_100121576822_100016265936 [0,1,0,0,0,1|1,0,1]=4 3907 B15R1.157 CC=CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000070051 [0,1,0,0,0,1|1,0,1]=4 3908 B15R1.157 CCC#CC(=O)C/C=C/c1ccccc1 1458a_100011827653_100016265936 [0,1,0,0,0,1|1,0,0]=3 3909 B15R1.157 CCC=CC(=O)C/C=C/c1ccccc1 1458a_100000212282_100016265936 [0,1,0,0,0,1|1,0,0]=3 3910 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100000210183_100016265936 [0,1,0,0,0,1|1,0,0]=3 3911 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210211 [0,1,0,0,0,1|1,0,0]=3 3912 B15R1.157 CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210211 [0,1,0,0,0,1|1,0,0]=3 3913 B15R1.157 CCCCC(=O)NN=Cc1ccccc1 4a_100000189769_100015611070 [0,1,0,0,0,1|2,0,0]=4 3914 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 11a_100020643023_100011219626 [0,1,0,0,0,1|1,0,0]=3 3915 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 1626a_100020643023_100011219626 [0,1,0,0,0,1|1,0,0]=3 3916 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 240690a_100020643023_100011219626 [0,1,0,0,0,1|1,0,0]=3 3917 B15R1.157 CCCNC(=O)C=CSc1ccccc1 11a_100020643023_100016262050 [0,1,0,0,0,1|1,0,0]=3 3918 B15R1.157 CCCNC(=O)C=CSc1ccccc1 1626a_100020643023_100016262050 [0,1,0,0,0,1|1,0,0]=3 3919 B15R1.157 CCCNC(=O)C=CSc1ccccc1 240690a_100020643023_100016262050 [0,1,0,0,0,1|1,0,0]=3 3920 B15R1.157 CCCOC(=O)CNCc1ccccc1 2230a_100015324214_200011215008 [0,1,0,0,0,1|0,0,2]=4 3921 B15R1.157 CCCOC(=O)CNCc1ccccc1 34a_100015324214_200011215008 [0,1,0,0,0,1|0,0,2]=4 3922 B15R1.157 CCCOC(=O)COCc1ccccc1 34a_100000210790_200011215008 [0,1,0,0,0,1|0,0,2]=4 3923 B15R1.157 CCCOC(=O)COCc1ccccc1 7a_100000210790_200011215008 [0,1,0,0,0,1|0,0,2]=4 3924 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_100000211182_200011215008 [0,1,0,0,0,1|0,0,2]=4 3925 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_200011215008_100015291786 [0,1,0,0,0,1|0,0,2]=4 3926 B15R1.157 CCCOC(=O)OCNc1ccccc1 34a_100000106764_200000139673 [0,1,0,0,0,1|1,0,1]=4 3927 B15R1.157 CCCOC(=O)OCOc1ccccc1 34a_100000210340_200000139673 [0,1,0,0,0,1|1,0,1]=4 3928 B15R1.157 CCCOC(=O)OCOc1ccccc1 7a_100000210340_200000139673 [0,1,0,0,0,1|1,0,1]=4 3929 B15R1.157 CCCOC(=O)OCSc1ccccc1 62a_100000719477_200000139673 [0,1,0,0,0,1|1,0,1]=4 3930 B15R1.157 CCNNC(=O)C/C=C/c1ccccc1 22a_100000756455_100011219626 [0,1,0,0,0,1|1,0,0]=3 3931 B15R1.157 CCNNC(=O)C=CSc1ccccc1 22a_100000756455_100016262050 [0,1,0,0,0,1|1,0,0]=3 3932 B15R1.157 CCO/C=C(\C)/C=NNc1ccccc1 4a_100015195140_200016998492 [0,1,0,0,0,1|2,0,0]=4 3933 B15R1.157 CCOCC(=O)C/C=C/c1ccccc1 1458a_100000211967_100016265936 [0,1,0,0,0,1|0,0,0]=2 3934 B15R1.157 CCOCC(=O)CC#Cc1ccccc1 1458a_100000211967_100011352542 [0,1,0,0,0,1|0,0,2]=4 3935 B15R1.157 CCOCC(=O)CCCc1ccccc1 1458a_100000211967_100000211621 [0,1,0,0,0,1|0,0,2]=4 3936 B15R1.157 CCOCC(=O)CCOc1ccccc1 1458a_100000211967_100000184471 [0,1,0,0,0,1|0,0,2]=4 3937 B15R1.157 CCOCC(=O)CCSc1ccccc1 1458a_100000211967_100000246102 [0,1,0,0,0,1|0,0,2]=4 3938 B15R1.157 CCOCC(=O)CSCc1ccccc1 1458a_100000211967_200011217039 [0,1,0,0,0,1|0,0,2]=4 3939 B15R1.157 CCOCC(=O)NCCc1ccccc1 11a_100000106460_100000211967 [0,1,0,0,0,1|0,0,2]=4 3940 B15R1.157 CCOCC(=O)NCCc1ccccc1 1626a_100000106460_100000211967 [0,1,0,0,0,1|0,0,2]=4 3941 B15R1.157 CCOCC(=O)NCCc1ccccc1 240690a_100000106460_100000211967 [0,1,0,0,0,1|0,0,2]=4 3942 B15R1.157 CCOCC(=O)NCCc1ccccc1 34a_100121572206_100000183012 [0,1,0,0,0,1|0,0,2]=4 3943 B15R1.157 CCOCC(=O)NCCc1ccccc1 527a_100000106460_100000211967 [0,1,0,0,0,1|0,0,2]=4 3944 B15R1.157 CCOCC(=O)NN=Cc1ccccc1 4a_100000216846_100015611070 [0,1,0,0,0,1|1,0,0]=3 3945 B15R1.157 CCOCC(=O)NN=Cc1ccccn1 4a_100000216846_100000209966 [0,1,0,0,0,1|2,0,0]=4 3946 B15R1.157 CCOCC(=O)NN=Cc1cccnc1 4a_100000216846_100000209961 [0,1,0,0,0,1|2,0,0]=4 3947 B15R1.157 CCOCC(=O)NN=Cc1ccncc1 4a_100000216846_100000186114 [0,1,0,0,0,1|2,0,0]=4 3948 B15R1.157 CCOCC(=O)NNCc1ccccc1 22a_100000007032_100000211967 [0,1,0,0,0,1|1,0,1]=4 3949 B15R1.157 CCOCC(=O)NOCc1ccccc1 34a_100121572206_100000230105 [0,1,0,0,0,1|1,0,1]=4 3950 B15R1.157 CCOCC(=O)OCCc1ccccc1 34a_100121572206_200000077782 [0,1,0,0,0,1|0,0,2]=4 3951 B15R1.157 CCSCC(=O)C/C=C/c1ccccc1 1458a_100000230394_100016265936 [0,1,0,0,0,1|0,1,0]=3 3952 B15R1.157 COC=CC(=O)C/C=C/c1ccccc1 1458a_100016268678_100016265936 [0,1,0,0,0,1|1,0,1]=4 3953 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100000749529_100016265936 [0,1,0,0,0,1|1,0,0]=3 3954 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000233755 [0,1,0,0,0,1|1,0,0]=3 3955 B15R1.157 COCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000233755 [0,1,0,0,0,1|1,0,0]=3 3956 B15R1.157 COCCC(=O)NN=Cc1ccccc1 4a_100011260505_100015611070 [0,1,0,0,0,1|2,0,0]=4 3957 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100000174002_100016265936 [0,1,0,0,0,1|1,0,0]=3 3958 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000751147 [0,1,0,0,0,1|1,0,0]=3 3959 B15R1.157 CSCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000751147 [0,1,0,0,0,1|1,0,0]=3 3960 B15R1.157 N#CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215226 [0,1,0,0,0,1|1,0,1]=4 3961 B15R1.157 N#CCCC(=O)C/C=C/c1ccccc1 1458a_100011934036_100016265936 [0,1,0,0,0,1|1,0,1]=4 3962 B15R1.157 N#CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215226 [0,1,0,0,0,1|1,0,1]=4 3963 B15R1.157 N#CCNC(=O)C/C=C/c1ccccc1 1626a_100000734998_100011219626 [0,1,0,0,0,1|1,0,1]=4 3964 B15R1.157 N#CCNC(=O)C=CSc1ccccc1 1626a_100000734998_100016262050 [0,1,0,0,0,1|1,0,1]=4 3965 B15R1.157 O=C(C#CCO)C/C=C/c1ccccc1 1458a_100000049017_100016265936 [0,1,0,0,0,1|1,0,1]=4 3966 B15R1.157 O=C(C/C=C/c1ccccc1)CCCF 1458a_100011219626_100011934791 [0,1,0,0,0,1|1,0,0]=3 3967 B15R1.157 O=C(C/C=C/c1ccccc1)CCCO 1458a_100011219626_100011215043 [0,1,0,0,0,1|1,0,0]=3 3968 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 11a_100000724931_100011219626 [0,1,0,0,0,1|1,0,0]=3 3969 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 1626a_100000724931_100011219626 [0,1,0,0,0,1|1,0,0]=3 3970 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 240690a_100000724931_100011219626 [0,1,0,0,0,1|1,0,0]=3 3971 B15R1.157 O=C(C/C=C/c1ccccc1)NCCO 240690a_100000210304_100011219626 [0,1,0,0,0,1|1,0,0]=3 3972 B15R1.157 O=C(C=CSc1ccccc1)CCCF 1458a_100016262050_100011934791 [0,1,0,0,0,1|1,0,0]=3 3973 B15R1.157 O=C(C=CSc1ccccc1)CCCO 1458a_100016262050_100011215043 [0,1,0,0,0,1|1,0,0]=3 3974 B15R1.157 O=C(C=CSc1ccccc1)NCCF 11a_100000724931_100016262050 [0,1,0,0,0,1|1,0,0]=3 3975 B15R1.157 O=C(C=CSc1ccccc1)NCCF 1626a_100000724931_100016262050 [0,1,0,0,0,1|1,0,0]=3 3976 B15R1.157 O=C(C=CSc1ccccc1)NCCF 240690a_100000724931_100016262050 [0,1,0,0,0,1|1,0,0]=3 3977 B15R1.157 O=C(C=CSc1ccccc1)NCCO 240690a_100000210304_100016262050 [0,1,0,0,0,1|1,0,0]=3 3978 B15R1.633 CCCC(=O)NN=Cc1cccc(c1)Br 4a_100000189770_100000210085 [0,1,0,0,0,1|2,0,0]=4 3979 B15R1.633 CCCC(=O)NN=Cc1cccc(c1)C 4a_100000189770_100000211157 [0,1,0,0,0,1|2,0,0]=4 3980 B15R1.633 CCCC(=O)NN=Cc1cccc(c1)Cl 4a_100000189770_100000210801 [0,1,0,0,0,1|2,0,0]=4 3981 B15R1.633 CCCC(=O)NN=Cc1cccc(c1)F 4a_100000189770_100000210812 [0,1,0,0,0,1|2,0,0]=4 3982 B15R1.633 CCCC(=O)NN=Cc1cccc(c1)I 4a_100000189770_100000014684 [0,1,0,0,0,1|2,0,0]=4 3983 B15R1.633 CCCC(=O)NN=Cc1cccc(c1)O 4a_100000189770_100000188321 [0,1,0,0,0,1|2,0,0]=4 3984 B15R1.633 CCOC(=O)C=NNc1cc(ccn1)Br 4a_100000764631_100000742314 [0,1,0,0,0,1|2,0,0]=4 3985 B15R1.633 CCOC(=O)C=NNc1cc(ccn1)C 4a_100000746014_100000742314 [0,1,0,0,0,1|2,0,0]=4 3986 B15R1.633 CCOC(=O)C=NNc1cc(ccn1)Cl 4a_100102524961_100000742314 [0,1,0,0,0,1|2,0,0]=4 3987 B15R1.633 CCOC(=O)C=NNc1cc(ccn1)I 4a_100010221011_100000742314 [0,1,0,0,0,1|2,0,0]=4 3988 B15R1.633 CCOC(=O)C=NNc1cc[nH]c(=O)c1 4a_100000120847_100000742314 [0,1,0,0,0,1|2,0,0]=4 3989 B15R1.633 CCOC(=O)C=NNc1cccc(c1)Br 4a_100000217339_100000742314 [0,1,0,0,0,1|1,0,0]=3 3990 B15R1.633 CCOC(=O)C=NNc1cccc(c1)C 4a_100000681630_100000742314 [0,1,0,0,0,1|1,0,0]=3 3991 B15R1.633 CCOC(=O)C=NNc1cccc(c1)Cl 4a_100000184277_100000742314 [0,1,0,0,0,1|1,0,0]=3 3992 B15R1.633 CCOC(=O)C=NNc1cccc(c1)F 4a_100000745080_100000742314 [0,1,0,0,0,1|1,0,0]=3 3993 B15R1.633 CCOC(=O)C=NNc1cccc(c1)I 4a_100020605690_100000742314 [0,1,0,0,0,1|1,0,0]=3 3994 B15R1.633 CCOC(=O)C=NNc1cccc(n1)Br 4a_100009817029_100000742314 [0,1,0,0,0,1|2,0,0]=4 3995 B15R1.633 CCOC(=O)C=NNc1cccc(n1)C 4a_100011363444_100000742314 [0,1,0,0,0,1|2,0,0]=4 3996 B15R1.633 CCOC(=O)C=NNc1cccc(n1)Cl 4a_100102524919_100000742314 [0,1,0,0,0,1|2,0,0]=4 3997 B15R1.633 CCOC(=O)C=NNc1cccc(n1)F 4a_100000075452_100000742314 [0,1,0,0,0,1|2,0,0]=4 3998 B15R1.633 CCOC(=O)C=NNc1ccnc(c1)Cl 4a_100000089018_100000742314 [0,1,0,0,0,1|2,0,0]=4 3999 B15R1.633 CCOC(=O)C=NNc1cncc(c1)Br 4a_100000727789_100000742314 [0,1,0,0,0,1|2,0,0]=4 4000 B15R1.633 CCOC(=O)C=NNc1cncc(c1)F 4a_200011955905_100000742314 [0,1,0,0,0,1|2,0,0]=4 4001 B15R1.633 CCOC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000765890 [0,1,0,0,0,1|0,0,2]=4 4002 B15R1.633 CCOC(=O)CCNc1cccc(c1)C 2230a_100000188690_100011206558 [0,1,0,0,0,1|0,0,2]=4 4003 B15R1.633 CCOC(=O)CCNc1cccc(c1)C 34a_100000188690_100000765890 [0,1,0,0,0,1|0,0,2]=4 4004 B15R1.633 CCOC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000765890 [0,1,0,0,0,1|0,0,2]=4 4005 B15R1.633 CCOC(=O)CCNc1cccc(c1)F 34a_100000210047_100000765890 [0,1,0,0,0,1|0,0,2]=4 4006 B15R1.633 CCOC(=O)CCNc1cccc(c1)I 34a_100000211102_100000765890 [0,1,0,0,0,1|0,0,2]=4 4007 B15R1.633 CCOC(=O)CCNc1cccc(c1)O 34a_100000210217_100000765890 [0,1,0,0,0,1|0,0,2]=4 4008 B15R1.633 CCOC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000765890 [0,1,0,0,0,1|0,0,2]=4 4009 B15R1.633 CCOC(=O)CCOc1cccc(c1)Br 7a_100000210342_100011206558 [0,1,0,0,0,1|0,0,2]=4 4010 B15R1.633 CCOC(=O)CCOc1cccc(c1)C 34a_100000210337_100000765890 [0,1,0,0,0,1|0,0,2]=4 4011 B15R1.633 CCOC(=O)CCOc1cccc(c1)C 7a_100000210337_100011206558 [0,1,0,0,0,1|0,0,2]=4 4012 B15R1.633 CCOC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000765890 [0,1,0,0,0,1|0,0,2]=4 4013 B15R1.633 CCOC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100011206558 [0,1,0,0,0,1|0,0,2]=4 4014 B15R1.633 CCOC(=O)CCOc1cccc(c1)F 34a_100000210426_100000765890 [0,1,0,0,0,1|0,0,2]=4 4015 B15R1.633 CCOC(=O)CCOc1cccc(c1)F 7a_100000210426_100011206558 [0,1,0,0,0,1|0,0,2]=4 4016 B15R1.633 CCOC(=O)CCOc1cccc(c1)I 34a_100000211634_100000765890 [0,1,0,0,0,1|0,0,2]=4 4017 B15R1.633 CCOC(=O)CCOc1cccc(c1)I 7a_100000211634_100011206558 [0,1,0,0,0,1|0,0,2]=4 4018 B15R1.633 CCOC(=O)CCOc1cccc(c1)N 34a_100000210217_100000765890 [0,1,0,0,0,1|0,0,2]=4 4019 B15R1.633 CCOC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000765890 [0,1,0,0,0,1|0,0,2]=4 4020 B15R1.633 CCOC(=O)CCSc1cccc(c1)Br 62a_100000765890_100000691529 [0,1,0,0,0,1|0,0,2]=4 4021 B15R1.633 CCOC(=O)CCSc1cccc(c1)C 62a_100000765890_100011215228 [0,1,0,0,0,1|0,0,2]=4 4022 B15R1.633 CCOC(=O)CCSc1cccc(c1)C 62a_100011215228_100000765890 [0,1,0,0,0,1|0,0,2]=4 4023 B15R1.633 CCOC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000765890 [0,1,0,0,0,1|0,0,2]=4 4024 B15R1.633 CCOC(=O)CCSc1cccc(c1)Cl 62a_100000765890_100000699651 [0,1,0,0,0,1|0,0,2]=4 4025 B15R1.633 CCOC(=O)CCSc1cccc(c1)F 62a_100000685547_100000765890 [0,1,0,0,0,1|0,0,2]=4 4026 B15R1.633 CCOC(=O)CCSc1cccc(c1)F 62a_100000765890_100000685547 [0,1,0,0,0,1|0,0,2]=4 4027 B15R1.633 CCOC(=O)CCSc1cccc(c1)N 62a_100000210019_100000765890 [0,1,0,0,0,1|0,0,2]=4 4028 B15R1.633 CCOC(=O)CCSc1cccc(c1)N 62a_100000765890_100000210019 [0,1,0,0,0,1|0,0,2]=4 4029 B15R1.633 CCOC(=O)CCSc1cccc(c1)O 62a_100000765890_100000211634 [0,1,0,0,0,1|0,0,2]=4 4030 B15R1.633 CCOC(=O)CCSc1cccc(c1)[S] 62a_100000765890_114929384022 [0,1,0,0,0,1|0,0,2]=4 4031 B15R1.633 CCOC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000765890 [0,1,0,0,0,1|0,0,2]=4 4032 B15R1.633 CCOC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000188475 [0,1,0,0,0,1|0,0,2]=4 4033 B15R1.633 CCOC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000188475 [0,1,0,0,0,1|0,0,2]=4 4034 B15R1.633 CCOC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000188475 [0,1,0,0,0,1|0,0,2]=4 4035 B15R1.633 CCOC(=O)CNCc1cccc(c1)C 34a_100000185548_100000188475 [0,1,0,0,0,1|0,0,2]=4 4036 B15R1.633 CCOC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000188475 [0,1,0,0,0,1|0,0,2]=4 4037 B15R1.633 CCOC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000188475 [0,1,0,0,0,1|0,0,2]=4 4038 B15R1.633 CCOC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000188475 [0,1,0,0,0,1|0,0,2]=4 4039 B15R1.633 CCOC(=O)CNCc1cccc(c1)F 34a_100000174948_100000188475 [0,1,0,0,0,1|0,0,2]=4 4040 B15R1.633 CCOC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000188475 [0,1,0,0,0,1|0,0,2]=4 4041 B15R1.633 CCOC(=O)CNCc1cccc(c1)I 34a_100000106179_100000188475 [0,1,0,0,0,1|0,0,2]=4 4042 B15R1.633 CCOC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000188475 [0,1,0,0,0,1|0,0,2]=4 4043 B15R1.633 CCOC(=O)CNCc1cccc(c1)O 34a_100000743036_100000188475 [0,1,0,0,0,1|0,0,2]=4 4044 B15R1.633 CCOC(=O)COCc1cccc(c1)Br 34a_100000687537_100000188475 [0,1,0,0,0,1|0,0,2]=4 4045 B15R1.633 CCOC(=O)COCc1cccc(c1)Br 7a_100000687537_100000188475 [0,1,0,0,0,1|0,0,2]=4 4046 B15R1.633 CCOC(=O)COCc1cccc(c1)C 34a_100011217746_100000188475 [0,1,0,0,0,1|0,0,2]=4 4047 B15R1.633 CCOC(=O)COCc1cccc(c1)C 7a_100011217746_100000188475 [0,1,0,0,0,1|0,0,2]=4 4048 B15R1.633 CCOC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000188475 [0,1,0,0,0,1|0,0,2]=4 4049 B15R1.633 CCOC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000188475 [0,1,0,0,0,1|0,0,2]=4 4050 B15R1.633 CCOC(=O)COCc1cccc(c1)F 34a_100000210976_100000188475 [0,1,0,0,0,1|0,0,2]=4 4051 B15R1.633 CCOC(=O)COCc1cccc(c1)F 7a_100000210976_100000188475 [0,1,0,0,0,1|0,0,2]=4 4052 B15R1.633 CCOC(=O)COCc1cccc(c1)I 34a_100011215336_100000188475 [0,1,0,0,0,1|0,0,2]=4 4053 B15R1.633 CCOC(=O)COCc1cccc(c1)I 7a_100011215336_100000188475 [0,1,0,0,0,1|0,0,2]=4 4054 B15R1.633 CCOC(=O)COCc1cccc(c1)N 34a_100000211919_100000188475 [0,1,0,0,0,1|0,0,2]=4 4055 B15R1.633 CCOC(=O)CSCc1cccc(c1)Br 62a_100000188475_100000211773 [0,1,0,0,0,1|0,0,2]=4 4056 B15R1.633 CCOC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000188475 [0,1,0,0,0,1|0,0,2]=4 4057 B15R1.633 CCOC(=O)CSCc1cccc(c1)C 62a_100000188475_100000211840 [0,1,0,0,0,1|0,0,2]=4 4058 B15R1.633 CCOC(=O)CSCc1cccc(c1)C 62a_100000211840_100000188475 [0,1,0,0,0,1|0,0,2]=4 4059 B15R1.633 CCOC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000188475 [0,1,0,0,0,1|0,0,2]=4 4060 B15R1.633 CCOC(=O)CSCc1cccc(c1)Cl 62a_100000188475_100000187163 [0,1,0,0,0,1|0,0,2]=4 4061 B15R1.633 CCOC(=O)CSCc1cccc(c1)F 62a_100000188475_100000230114 [0,1,0,0,0,1|0,0,2]=4 4062 B15R1.633 CCOC(=O)CSCc1cccc(c1)F 62a_100000230114_100000188475 [0,1,0,0,0,1|0,0,2]=4 4063 B15R1.633 CCOC(=O)CSCc1cccc(c1)I 62a_100000188475_100011218688 [0,1,0,0,0,1|0,0,2]=4 4064 B15R1.633 CCOC(=O)CSCc1cccc(c1)I 62a_100011218688_100000188475 [0,1,0,0,0,1|0,0,2]=4 4065 B15R1.633 CCOC(=O)CSCc1cccc(c1)O 62a_100000188475_100011660834 [0,1,0,0,0,1|0,0,2]=4 4066 B15R1.633 CCOC(=O)CSCc1cccc(c1)O 62a_100011660834_100000188475 [0,1,0,0,0,1|0,0,2]=4 4067 B15R1.633 CCOC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000075025 [0,1,0,0,0,1|1,0,1]=4 4068 B15R1.633 CCOC(=O)OCSc1cccc(c1)C 62a_100011215228_100000075025 [0,1,0,0,0,1|1,0,1]=4 4069 B15R1.633 CCOC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000075025 [0,1,0,0,0,1|1,0,1]=4 4070 B15R1.633 CCOC(=O)OCSc1cccc(c1)F 62a_100000685547_100000075025 [0,1,0,0,0,1|1,0,1]=4 4071 B15R1.633 CCOC(=O)OCSc1cccc(c1)N 62a_100000210019_100000075025 [0,1,0,0,0,1|1,0,1]=4 4072 B15R1.633 CCOC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000075025 [0,1,0,0,0,1|1,0,1]=4 4073 B15R1.809 CCCC(=CC(=O)Cc1ccccc1)C 1458a_100020676950_100015291786 [0,1,0,0,0,1|2,0,0]=4 4074 B15R1.809 CCCC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100020676950 [0,1,0,0,0,1|2,0,0]=4 4075 B15R1.809 CCCC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100020676950 [0,1,0,0,0,1|2,0,0]=4 4076 B15R1.809 CCCC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100020676950 [0,1,0,0,0,1|2,0,0]=4 4077 B15R1.809 CCCC(=O)CC(=O)Cc1ccccc1 1458a_100000211992_100000233483 [0,1,0,0,0,1|1,0,1]=4 4078 B15R1.809 CCCC(=O)CC(=O)Nc1ccccc1 1458a_100000211992_100000182850 [0,1,0,0,0,1|1,0,1]=4 4079 B15R1.809 CCCC(=O)CC(=O)Oc1ccccc1 1458a_100000211992_100009813826 [0,1,0,0,0,1|1,0,1]=4 4080 B15R1.809 CCNC(=O)CC(=O)Oc1ccccc1 240690a_100015525214_200000075362 [0,1,0,0,0,1|1,0,1]=4 4081 B15R1.809 CCOC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000188475 [0,1,0,0,0,1|1,0,1]=4 4082 B15R1.809 CCOC(=O)CC(=O)Cc1ccccc1 1458a_100000243816_100015291786 [0,1,0,0,0,1|0,0,1]=3 4083 B15R1.809 CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000188475 [0,1,0,0,0,1|1,0,1]=4 4084 B15R1.809 CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000243816_100000721315 [0,1,0,0,0,1|1,0,1]=4 4085 B15R1.809 CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000243816_100000733263 [0,1,0,0,0,1|1,0,1]=4 4086 B15R1.809 CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000188475 [0,1,0,0,0,1|1,0,1]=4 4087 B15R1.809 CCOC(=O)CC(=O)Cc1ccncc1 1458a_100000243816_100000705612 [0,1,0,0,0,1|1,0,1]=4 4088 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000243816 [0,1,0,0,0,1|0,0,1]=3 4089 B15R1.809 CCOC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817359 [0,1,0,0,0,1|0,0,2]=4 4090 B15R1.809 CCOC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817359 [0,1,0,0,0,1|0,0,2]=4 4091 B15R1.809 CCOC(=O)CC(C)Sc1ccccc1 62a_100009817359_100000041952 [0,1,0,0,0,1|0,0,2]=4 4092 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000188475 [0,1,0,0,0,1|0,0,2]=4 4093 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000219878_200000210301 [0,1,0,0,0,1|0,0,2]=4 4094 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000220588_100015291786 [0,1,0,0,0,1|0,0,2]=4 4095 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000188475 [0,1,0,0,0,1|0,0,2]=4 4096 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 269982a_100000219878_200000210301 [0,1,0,0,0,1|0,0,2]=4 4097 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 270004a_100000220588_100015611070 [0,1,0,0,0,1|0,0,2]=4 4098 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219878_200025704644 [0,1,0,0,0,1|0,0,2]=4 4099 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219878_200025704644 [0,1,0,0,0,1|0,0,2]=4 4100 B15R1.809 CCOC(=O)OC(C)Sc1ccccc1 62a_100000036008_100000041952 [0,1,0,0,0,1|1,0,1]=4 4101 B15R1.809 CCOC(=O)OC(C)Sc1ccccc1 62a_100000719477_100000036008 [0,1,0,0,0,1|1,0,1]=4 4102 B15R1.826 C=C(CNc1ccccc1)C(=O)OCC 34a_100000106764_100000755967 [0,1,0,0,0,1|0,0,1]=3 4103 B15R1.826 C=C(COc1ccccc1)C(=O)OCC 34a_100000210340_100000755967 [0,1,0,0,0,1|0,0,1]=3 4104 B15R1.826 C=C(COc1ccccc1)C(=O)OCC 7a_100000210340_100000755967 [0,1,0,0,0,1|0,0,1]=3 4105 B15R1.826 C=C(COc1cccnc1)C(=O)OCC 34a_100000210849_100000755967 [0,1,0,0,0,1|1,0,1]=4 4106 B15R1.826 C=C(COc1cccnc1)C(=O)OCC 7a_100000210849_100000755967 [0,1,0,0,0,1|1,0,1]=4 4107 B15R1.826 C=C(COc1ccncc1)C(=O)OCC 34a_100000212176_100000755967 [0,1,0,0,0,1|1,0,1]=4 4108 B15R1.826 C=C(CSc1ccccc1)C(=O)OCC 62a_100000719477_100000755967 [0,1,0,0,0,1|0,0,1]=3 4109 B15R1.826 C=C(CSc1ccccc1)C(=O)OCC 62a_100000755967_100000041952 [0,1,0,0,0,1|0,0,1]=3 4110 B15R1.826 C=C(CSc1ccccn1)C(=O)OCC 62a_100000755967_100011216584 [0,1,0,0,0,1|1,0,1]=4 4111 B15R1.826 C=C(CSc1ccccn1)C(=O)OCC 62a_100011216584_100000755967 [0,1,0,0,0,1|1,0,1]=4 4112 B15R1.826 C=C(CSc1cccnc1)C(=O)OCC 62a_100000210063_100000755967 [0,1,0,0,0,1|1,0,1]=4 4113 B15R1.826 C=C(CSc1cccnc1)C(=O)OCC 62a_100000755967_100000210063 [0,1,0,0,0,1|1,0,1]=4 4114 B15R1.826 C=C(CSc1ccncc1)C(=O)OCC 62a_100000728582_100000755967 [0,1,0,0,0,1|1,0,1]=4 4115 B15R1.826 C=C(CSc1ccncc1)C(=O)OCC 62a_100000755967_100000728582 [0,1,0,0,0,1|1,0,1]=4 4116 B15R1.826 CCNC(=O)C(=O)CCc1ccccc1 1458a_200011297158_100000765856 [0,1,0,0,0,1|1,0,1]=4 4117 B15R1.826 CCNC(=O)C(=O)NCc1ccccc1 1626a_100015324214_200011297158 [0,1,0,0,0,1|1,0,1]=4 4118 B15R1.826 CCNC(=O)C(=O)NCc1ccccc1 240690a_100015324214_200011297158 [0,1,0,0,0,1|1,0,1]=4 4119 B15R1.826 CCNC(=O)C(=O)NCc1ccccc1 527a_100015324214_200011297158 [0,1,0,0,0,1|1,0,1]=4 4120 B15R1.826 CCNC(=O)C(=O)NNc1ccccc1 22a_100015195140_200011297158 [0,1,0,0,0,1|2,0,0]=4 4121 B15R1.826 CCOC(=O)C(=NNc1ccccc1)C 4a_100015195140_100000209952 [0,1,0,0,0,1|1,0,0]=3 4122 B15R1.826 CCOC(=O)C(=NNc1ccccn1)C 4a_100000183288_100000209952 [0,1,0,0,0,1|2,0,0]=4 4123 B15R1.826 CCOC(=O)C(=NNc1cccnc1)C 4a_100000728903_100000209952 [0,1,0,0,0,1|2,0,0]=4 4124 B15R1.826 CCOC(=O)C(=NNc1ccncc1)C 4a_100000698918_100000209952 [0,1,0,0,0,1|2,0,0]=4 4125 B15R1.826 CCOC(=O)C(=O)CSc1ccccc1 62a_100000211299_100000041952 [0,1,0,0,0,1|0,0,1]=3 4126 B15R1.826 CCOC(=O)C(=O)CSc1ccccc1 62a_100000719477_100000211299 [0,1,0,0,0,1|0,0,1]=3 4127 B15R1.826 CCOC(=O)C(=O)CSc1ccccn1 62a_100000211299_100011216584 [0,1,0,0,0,1|1,0,1]=4 4128 B15R1.826 CCOC(=O)C(=O)CSc1ccccn1 62a_100011216584_100000211299 [0,1,0,0,0,1|1,0,1]=4 4129 B15R1.826 CCOC(=O)C(=O)CSc1cccnc1 62a_100000210063_100000211299 [0,1,0,0,0,1|1,0,1]=4 4130 B15R1.826 CCOC(=O)C(=O)CSc1cccnc1 62a_100000211299_100000210063 [0,1,0,0,0,1|1,0,1]=4 4131 B15R1.826 CCOC(=O)C(=O)CSc1ccncc1 62a_100000211299_100000728582 [0,1,0,0,0,1|1,0,1]=4 4132 B15R1.826 CCOC(=O)C(=O)CSc1ccncc1 62a_100000728582_100000211299 [0,1,0,0,0,1|1,0,1]=4 4133 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 11a_100015324214_100014798877 [0,1,0,0,0,1|0,0,1]=3 4134 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100014798877 [0,1,0,0,0,1|0,0,1]=3 4135 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100014798877 [0,1,0,0,0,1|0,0,1]=3 4136 B15R1.826 CCOC(=O)C(=O)NCc1ccccn1 11a_100000210449_100014798877 [0,1,0,0,0,1|1,0,1]=4 4137 B15R1.826 CCOC(=O)C(=O)NCc1ccccn1 1626a_100000210449_100014798877 [0,1,0,0,0,1|1,0,1]=4 4138 B15R1.826 CCOC(=O)C(=O)NCc1ccccn1 240690a_100000210449_100014798877 [0,1,0,0,0,1|1,0,1]=4 4139 B15R1.826 CCOC(=O)C(=O)NCc1cccnc1 11a_100000210453_100014798877 [0,1,0,0,0,1|1,0,1]=4 4140 B15R1.826 CCOC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100014798877 [0,1,0,0,0,1|1,0,1]=4 4141 B15R1.826 CCOC(=O)C(=O)NCc1ccncc1 11a_100000210450_100014798877 [0,1,0,0,0,1|1,0,1]=4 4142 B15R1.826 CCOC(=O)C(=O)NCc1ccncc1 1626a_100000210450_100014798877 [0,1,0,0,0,1|1,0,1]=4 4143 B15R1.826 CCOC(=O)C(=O)NCc1ccncc1 240690a_100000210450_100014798877 [0,1,0,0,0,1|1,0,1]=4 4144 B15R1.826 CCOC(=O)C(C)NCc1ccccc1 2230a_100015324214_100011215307 [0,1,0,0,0,1|0,0,2]=4 4145 B15R1.826 CCOC(=O)C(C)NCc1ccccc1 34a_100015324214_100011216346 [0,1,0,0,0,1|0,0,2]=4 4146 B15R1.826 CCOC(=O)C(C)OCc1ccccc1 34a_100000210790_100011216346 [0,1,0,0,0,1|0,0,2]=4 4147 B15R1.826 CCOC(=O)C(C)OCc1ccccc1 7a_100000210790_100011216346 [0,1,0,0,0,1|0,0,2]=4 4148 B15R1.826 CCOC(=O)C(C)SCc1ccccc1 62a_100000211182_100011216346 [0,1,0,0,0,1|0,0,2]=4 4149 B15R1.826 CCOC(=O)C(C)SCc1ccccc1 62a_100011216346_100015291786 [0,1,0,0,0,1|0,0,2]=4 4150 B15R1.826 CCOC(=O)C(F)NCc1ccccc1 2230a_100015324214_100000760018 [0,1,0,0,0,1|0,0,2]=4 4151 B15R1.826 CCOC(=O)C(F)NCc1ccccc1 34a_100015324214_100000760018 [0,1,0,0,0,1|0,0,2]=4 4152 B15R1.826 CCOC(=O)C(F)OCc1ccccc1 34a_100000210790_100000760018 [0,1,0,0,0,1|0,0,2]=4 4153 B15R1.826 CCOC(=O)C(F)OCc1ccccc1 7a_100000210790_100000040065 [0,1,0,0,0,1|0,0,2]=4 4154 B15R1.826 CCOC(=O)C(F)SCc1ccccc1 62a_100000211182_100000760018 [0,1,0,0,0,1|0,0,2]=4 4155 B15R1.826 CCOC(=O)C(F)SCc1ccccc1 62a_100000760018_100015291786 [0,1,0,0,0,1|0,0,2]=4 4156 B15R1.826 CCOC(=O)[C@H](C)OCc1ccccc1 7a_100000751109_100000211182 [0,1,0,0,0,1|0,0,2]=4 4157 B15R1.1252 CCCC(=O)NN=Cc1ccccc1Br 4a_100000189770_100000211189 [0,1,0,0,0,1|2,0,0]=4 4158 B15R1.1252 CCCC(=O)NN=Cc1ccccc1C 4a_100000189770_100000211143 [0,1,0,0,0,1|2,0,0]=4 4159 B15R1.1252 CCCC(=O)NN=Cc1ccccc1Cl 4a_100000189770_100000210073 [0,1,0,0,0,1|2,0,0]=4 4160 B15R1.1252 CCCC(=O)NN=Cc1ccccc1F 4a_100000189770_100000210811 [0,1,0,0,0,1|2,0,0]=4 4161 B15R1.1252 CCCC(=O)NN=Cc1ccccc1I 4a_100000189770_100000010305 [0,1,0,0,0,1|2,0,0]=4 4162 B15R1.1252 CCCC(=O)NN=Cc1ccccc1O 4a_100000189770_100000185834 [0,1,0,0,0,1|2,0,0]=4 4163 B15R1.1252 CCOC(=O)C=NNc1ccccc1Br 4a_100000241748_100000742314 [0,1,0,0,0,1|1,0,0]=3 4164 B15R1.1252 CCOC(=O)C=NNc1ccccc1C 4a_100000184220_100000742314 [0,1,0,0,0,1|1,0,0]=3 4165 B15R1.1252 CCOC(=O)C=NNc1ccccc1Cl 4a_100000683529_100000742314 [0,1,0,0,0,1|1,0,0]=3 4166 B15R1.1252 CCOC(=O)C=NNc1ccccc1F 4a_100000239246_100000742314 [0,1,0,0,0,1|1,0,0]=3 4167 B15R1.1252 CCOC(=O)C=NNc1ccccc1I 4a_100011218156_100000742314 [0,1,0,0,0,1|1,0,0]=3 4168 B15R1.1252 CCOC(=O)C=NNc1cccnc1C 4a_100000730703_100000742314 [0,1,0,0,0,1|2,0,0]=4 4169 B15R1.1252 CCOC(=O)C=NNc1ccncc1Br 4a_100013404636_100000742314 [0,1,0,0,0,1|2,0,0]=4 4170 B15R1.1252 CCOC(=O)C=NNc1ccncc1C 4a_100011935204_100000742314 [0,1,0,0,0,1|2,0,0]=4 4171 B15R1.1252 CCOC(=O)C=NNc1ncccc1Br 4a_100011464834_100000742314 [0,1,0,0,0,1|2,0,0]=4 4172 B15R1.1252 CCOC(=O)C=NNc1ncccc1C 4a_100000708268_100000742314 [0,1,0,0,0,1|2,0,0]=4 4173 B15R1.1252 CCOC(=O)C=NNc1ncccc1Cl 4a_100000741667_100000742314 [0,1,0,0,0,1|2,0,0]=4 4174 B15R1.1252 CCOC(=O)C=NNc1ncccc1F 4a_100000717775_100000742314 [0,1,0,0,0,1|2,0,0]=4 4175 B15R1.1252 CCOC(=O)C=NNc1ncccc1I 4a_100010221029_100000742314 [0,1,0,0,0,1|2,0,0]=4 4176 B15R1.1252 CCOC(=O)CCNc1ccccc1Br 34a_100000210017_100000765890 [0,1,0,0,0,1|0,0,2]=4 4177 B15R1.1252 CCOC(=O)CCNc1ccccc1C 34a_100015192222_100000765890 [0,1,0,0,0,1|0,0,2]=4 4178 B15R1.1252 CCOC(=O)CCNc1ccccc1Cl 34a_100000185783_100000765890 [0,1,0,0,0,1|0,0,2]=4 4179 B15R1.1252 CCOC(=O)CCNc1ccccc1F 34a_100000210422_100000765890 [0,1,0,0,0,1|0,0,2]=4 4180 B15R1.1252 CCOC(=O)CCNc1ccccc1I 34a_100000210053_100000765890 [0,1,0,0,0,1|0,0,2]=4 4181 B15R1.1252 CCOC(=O)CCNc1ccccc1O 34a_100000185747_100000765890 [0,1,0,0,0,1|0,0,2]=4 4182 B15R1.1252 CCOC(=O)CCOc1ccccc1Br 34a_100000181306_100000765890 [0,1,0,0,0,1|0,0,2]=4 4183 B15R1.1252 CCOC(=O)CCOc1ccccc1Br 7a_100000181306_100011206558 [0,1,0,0,0,1|0,0,2]=4 4184 B15R1.1252 CCOC(=O)CCOc1ccccc1C 34a_100000210338_100000765890 [0,1,0,0,0,1|0,0,2]=4 4185 B15R1.1252 CCOC(=O)CCOc1ccccc1C 7a_100000210338_100011206558 [0,1,0,0,0,1|0,0,2]=4 4186 B15R1.1252 CCOC(=O)CCOc1ccccc1Cl 34a_100000210172_100000765890 [0,1,0,0,0,1|0,0,2]=4 4187 B15R1.1252 CCOC(=O)CCOc1ccccc1Cl 7a_100000210172_100011206558 [0,1,0,0,0,1|0,0,2]=4 4188 B15R1.1252 CCOC(=O)CCOc1ccccc1F 34a_100000210171_100000765890 [0,1,0,0,0,1|0,0,2]=4 4189 B15R1.1252 CCOC(=O)CCOc1ccccc1F 7a_100000210171_100011206558 [0,1,0,0,0,1|0,0,2]=4 4190 B15R1.1252 CCOC(=O)CCOc1ccccc1I 34a_100000739446_100000765890 [0,1,0,0,0,1|0,0,2]=4 4191 B15R1.1252 CCOC(=O)CCOc1ccccc1I 7a_100000739446_100011206558 [0,1,0,0,0,1|0,0,2]=4 4192 B15R1.1252 CCOC(=O)CCOc1ccccc1N 34a_100000185747_100000765890 [0,1,0,0,0,1|0,0,2]=4 4193 B15R1.1252 CCOC(=O)CCOc1ccccc1N 7a_100000185747_100011206558 [0,1,0,0,0,1|0,0,2]=4 4194 B15R1.1252 CCOC(=O)CCSc1ccccc1Br 62a_100000695589_100000765890 [0,1,0,0,0,1|0,0,2]=4 4195 B15R1.1252 CCOC(=O)CCSc1ccccc1Br 62a_100000765890_100000695589 [0,1,0,0,0,1|0,0,2]=4 4196 B15R1.1252 CCOC(=O)CCSc1ccccc1C 62a_100000210755_100000765890 [0,1,0,0,0,1|0,0,2]=4 4197 B15R1.1252 CCOC(=O)CCSc1ccccc1C 62a_100000765890_100000210755 [0,1,0,0,0,1|0,0,2]=4 4198 B15R1.1252 CCOC(=O)CCSc1ccccc1Cl 62a_100000764095_100000765890 [0,1,0,0,0,1|0,0,2]=4 4199 B15R1.1252 CCOC(=O)CCSc1ccccc1Cl 62a_100000765890_100000764095 [0,1,0,0,0,1|0,0,2]=4 4200 B15R1.1252 CCOC(=O)CCSc1ccccc1F 62a_100000765890_100011215700 [0,1,0,0,0,1|0,0,2]=4 4201 B15R1.1252 CCOC(=O)CCSc1ccccc1F 62a_100011215700_100000765890 [0,1,0,0,0,1|0,0,2]=4 4202 B15R1.1252 CCOC(=O)CCSc1ccccc1N 62a_100000210017_100000765890 [0,1,0,0,0,1|0,0,2]=4 4203 B15R1.1252 CCOC(=O)CCSc1ccccc1N 62a_100000765890_100000210017 [0,1,0,0,0,1|0,0,2]=4 4204 B15R1.1252 CCOC(=O)CCSc1ccccc1O 62a_100000739446_100000765890 [0,1,0,0,0,1|0,0,2]=4 4205 B15R1.1252 CCOC(=O)CCSc1ccccc1O 62a_100000765890_100000739446 [0,1,0,0,0,1|0,0,2]=4 4206 B15R1.1252 CCOC(=O)CNCc1ccccc1Br 2230a_100000689332_100000188475 [0,1,0,0,0,1|0,0,2]=4 4207 B15R1.1252 CCOC(=O)CNCc1ccccc1Br 34a_100000689332_100000188475 [0,1,0,0,0,1|0,0,2]=4 4208 B15R1.1252 CCOC(=O)CNCc1ccccc1C 34a_100000174972_100000188475 [0,1,0,0,0,1|0,0,2]=4 4209 B15R1.1252 CCOC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000188475 [0,1,0,0,0,1|0,0,2]=4 4210 B15R1.1252 CCOC(=O)CNCc1ccccc1Cl 34a_100000174879_100000188475 [0,1,0,0,0,1|0,0,2]=4 4211 B15R1.1252 CCOC(=O)CNCc1ccccc1F 34a_100000174869_100000188475 [0,1,0,0,0,1|0,0,2]=4 4212 B15R1.1252 CCOC(=O)CNCc1ccccc1O 34a_100000185550_100000188475 [0,1,0,0,0,1|0,0,2]=4 4213 B15R1.1252 CCOC(=O)COCc1ccccc1Br 34a_100000756307_100000188475 [0,1,0,0,0,1|0,0,2]=4 4214 B15R1.1252 CCOC(=O)COCc1ccccc1Br 7a_100000756307_100000188475 [0,1,0,0,0,1|0,0,2]=4 4215 B15R1.1252 CCOC(=O)COCc1ccccc1C 34a_100000698903_100000188475 [0,1,0,0,0,1|0,0,2]=4 4216 B15R1.1252 CCOC(=O)COCc1ccccc1C 7a_100000698903_100000188475 [0,1,0,0,0,1|0,0,2]=4 4217 B15R1.1252 CCOC(=O)COCc1ccccc1Cl 34a_100000210847_100000188475 [0,1,0,0,0,1|0,0,2]=4 4218 B15R1.1252 CCOC(=O)COCc1ccccc1Cl 7a_100000210847_100000188475 [0,1,0,0,0,1|0,0,2]=4 4219 B15R1.1252 CCOC(=O)COCc1ccccc1F 34a_100000211962_100000188475 [0,1,0,0,0,1|0,0,2]=4 4220 B15R1.1252 CCOC(=O)COCc1ccccc1F 7a_100000211962_100000188475 [0,1,0,0,0,1|0,0,2]=4 4221 B15R1.1252 CCOC(=O)COCc1ccccc1I 34a_100000187465_100000188475 [0,1,0,0,0,1|0,0,2]=4 4222 B15R1.1252 CCOC(=O)COCc1ccccc1I 7a_100000187465_100000188475 [0,1,0,0,0,1|0,0,2]=4 4223 B15R1.1252 CCOC(=O)COCc1ccccc1N 34a_100000212039_100000188475 [0,1,0,0,0,1|0,0,2]=4 4224 B15R1.1252 CCOC(=O)CSCc1ccccc1Br 62a_100000184730_100000188475 [0,1,0,0,0,1|0,0,2]=4 4225 B15R1.1252 CCOC(=O)CSCc1ccccc1Br 62a_100000188475_100000184730 [0,1,0,0,0,1|0,0,2]=4 4226 B15R1.1252 CCOC(=O)CSCc1ccccc1C 62a_100000188475_100000211839 [0,1,0,0,0,1|0,0,2]=4 4227 B15R1.1252 CCOC(=O)CSCc1ccccc1C 62a_100000211839_100000188475 [0,1,0,0,0,1|0,0,2]=4 4228 B15R1.1252 CCOC(=O)CSCc1ccccc1Cl 62a_100000187162_100000188475 [0,1,0,0,0,1|0,0,2]=4 4229 B15R1.1252 CCOC(=O)CSCc1ccccc1Cl 62a_100000188475_100000187162 [0,1,0,0,0,1|0,0,2]=4 4230 B15R1.1252 CCOC(=O)CSCc1ccccc1F 62a_100000188475_100000211605 [0,1,0,0,0,1|0,0,2]=4 4231 B15R1.1252 CCOC(=O)CSCc1ccccc1F 62a_100000211605_100000188475 [0,1,0,0,0,1|0,0,2]=4 4232 B15R1.1252 CCOC(=O)CSCc1ccccc1I 62a_100000188475_100011216222 [0,1,0,0,0,1|0,0,2]=4 4233 B15R1.1252 CCOC(=O)CSCc1ccccc1I 62a_100011216222_100000188475 [0,1,0,0,0,1|0,0,2]=4 4234 B15R1.1252 CCOC(=O)OCSc1ccccc1Br 62a_100000695589_100000075025 [0,1,0,0,0,1|1,0,1]=4 4235 B15R1.1252 CCOC(=O)OCSc1ccccc1C 62a_100000210755_100000075025 [0,1,0,0,0,1|1,0,1]=4 4236 B15R1.1252 CCOC(=O)OCSc1ccccc1Cl 62a_100000764095_100000075025 [0,1,0,0,0,1|1,0,1]=4 4237 B15R1.1252 CCOC(=O)OCSc1ccccc1F 62a_100011215700_100000075025 [0,1,0,0,0,1|1,0,1]=4 4238 B15R1.1252 CCOC(=O)OCSc1ccccc1N 62a_100000210017_100000075025 [0,1,0,0,0,1|1,0,1]=4 4239 B15R1.1252 CCOC(=O)OCSc1ccccc1O 62a_100000739446_100000075025 [0,1,0,0,0,1|1,0,1]=4 4240 B15R1.1321 C/C=C(\C)/C(=O)C/C=C/c1ccccc1 1458a_100020587367_100016265936 [0,1,0,0,0,1|1,0,1]=4 4241 B15R1.1321 CCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011192722_100016265936 [0,1,0,0,0,1|1,0,0]=3 4242 B15R1.1321 CCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100000758301 [0,1,0,0,0,1|1,0,0]=3 4243 B15R1.1321 CCC(C)C(=O)C=CSc1ccccc1 1458a_100016262050_100000758301 [0,1,0,0,0,1|1,0,0]=3 4244 B15R1.1321 CCC(C)C(=O)NN=Cc1ccccc1 4a_100000740736_100015611070 [0,1,0,0,0,1|2,0,0]=4 4245 B15R1.1321 CCC(O)C(=O)C/C=C/c1ccccc1 1458a_100011196387_100016265936 [0,1,0,0,0,1|1,0,0]=3 4246 B15R1.1321 CCN(C)C(=O)C/C=C/c1ccccc1 11a_100000225621_100011219626 [0,1,0,0,0,1|1,0,0]=3 4247 B15R1.1321 CCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000225621_100011219626 [0,1,0,0,0,1|1,0,0]=3 4248 B15R1.1321 CCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000225621_100011219626 [0,1,0,0,0,1|1,0,0]=3 4249 B15R1.1321 CCN(C)C(=O)C=CSc1ccccc1 11a_100000225621_100016262050 [0,1,0,0,0,1|1,0,0]=3 4250 B15R1.1321 CCN(C)C(=O)C=CSc1ccccc1 1626a_100000225621_100016262050 [0,1,0,0,0,1|1,0,0]=3 4251 B15R1.1321 CCN(C)C(=O)C=CSc1ccccc1 240690a_100000225621_100016262050 [0,1,0,0,0,1|1,0,0]=3 4252 B15R1.1321 CNC(=O)C(=O)C/C=C/c1ccccc1 1458a_100011218921_100016265936 [0,1,0,0,0,1|2,0,0]=4 4253 B15R1.1321 COC(C)C(=O)C/C=C/c1ccccc1 1458a_100000743197_100016265936 [0,1,0,0,0,1|2,0,0]=4 4254 B15R1.1321 CSC(C)C(=O)C/C=C/c1ccccc1 1458a_100000149566_100016265936 [0,1,0,0,0,1|2,0,0]=4 4255 B15R1.1321 O=C(C/C=C/c1ccccc1)C(O)CO 1458a_100011215603_100016265936 [0,1,0,0,0,1|2,0,0]=4 4256 B15R1.9084 C=C(C)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000748629 [0,1,0,0,0,1|1,0,1]=4 4257 B15R1.9084 C=C(C)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000748629 [0,1,0,0,0,1|1,0,1]=4 4258 B15R1.9084 CC(=CC(=O)C/C=C/c1ccccc1)C 1458a_100000211388_100016265936 [0,1,0,0,0,1|1,0,1]=4 4259 B15R1.9084 CC(=CC(=O)C/C=C/c1ccccc1)Cl 1458a_200042562850_100016265936 [0,1,0,0,0,1|1,0,1]=4 4260 B15R1.9084 CC(=CC(=O)C/C=C/c1ccccc1)I 1458a_100025716642_100016265936 [0,1,0,0,0,1|1,0,1]=4 4261 B15R1.9084 CC(C)CC(=O)C/C=C/c1ccccc1 1458a_100000210554_100016265936 [0,1,0,0,0,1|1,0,0]=3 4262 B15R1.9084 CC(C)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210624 [0,1,0,0,0,1|1,0,0]=3 4263 B15R1.9084 CC(C)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000210624 [0,1,0,0,0,1|1,0,0]=3 4264 B15R1.9084 CC(C)CC(=O)NN=Cc1ccccc1 4a_100000189787_100015611070 [0,1,0,0,0,1|2,0,0]=4 4265 B15R1.9084 CC(C)NC(=O)C/C=C/c1ccccc1 11a_100138425928_100011219626 [0,1,0,0,0,1|1,0,0]=3 4266 B15R1.9084 CC(C)NC(=O)C/C=C/c1ccccc1 1626a_100138425928_100011219626 [0,1,0,0,0,1|1,0,0]=3 4267 B15R1.9084 CC(C)NC(=O)C/C=C/c1ccccc1 240690a_100138425928_100011219626 [0,1,0,0,0,1|1,0,0]=3 4268 B15R1.9084 CC(C)NC(=O)C=CSc1ccccc1 11a_100138425928_100016262050 [0,1,0,0,0,1|1,0,0]=3 4269 B15R1.9084 CC(C)NC(=O)C=CSc1ccccc1 1626a_100138425928_100016262050 [0,1,0,0,0,1|1,0,0]=3 4270 B15R1.9084 CC(C)NC(=O)C=CSc1ccccc1 240690a_100138425928_100016262050 [0,1,0,0,0,1|1,0,0]=3 4271 B15R1.9084 CC(C)OC(=O)CCOc1ccccc1 7a_100000210340_100000760027 [0,1,0,0,0,1|0,0,2]=4 4272 B15R1.9084 CC(C)OC(=O)CCSc1ccccc1 62a_100000719477_100000760027 [0,1,0,0,0,1|0,0,2]=4 4273 B15R1.9084 CC(C)OC(=O)CCSc1ccccc1 62a_100000760027_100000041952 [0,1,0,0,0,1|0,0,2]=4 4274 B15R1.9084 CC(C)OC(=O)CNCc1ccccc1 2230a_100015324214_100011215430 [0,1,0,0,0,1|0,0,2]=4 4275 B15R1.9084 CC(C)OC(=O)CNCc1ccccc1 34a_100015324214_100011215430 [0,1,0,0,0,1|0,0,2]=4 4276 B15R1.9084 CC(C)OC(=O)COCc1ccccc1 34a_100000210790_100011215430 [0,1,0,0,0,1|0,0,2]=4 4277 B15R1.9084 CC(C)OC(=O)COCc1ccccc1 7a_100000210790_100011215430 [0,1,0,0,0,1|0,0,2]=4 4278 B15R1.9084 CC(C)OC(=O)CSCc1ccccc1 62a_100000211182_100011215430 [0,1,0,0,0,1|0,0,2]=4 4279 B15R1.9084 CC(C)OC(=O)CSCc1ccccc1 62a_100011215430_100015291786 [0,1,0,0,0,1|0,0,2]=4 4280 B15R1.9084 CC(C)OC(=O)OCSc1ccccc1 62a_100000003507_100000041952 [0,1,0,0,0,1|1,0,1]=4 4281 B15R1.9084 CC(C)OC(=O)OCSc1ccccc1 62a_100000719477_100000003507 [0,1,0,0,0,1|1,0,1]=4 4282 B15R1.9084 CC(O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011218427 [0,1,0,0,0,1|1,0,0]=3 4283 B15R1.9084 CC(O)CC(=O)C=CSc1ccccc1 1458a_100016262050_100011218427 [0,1,0,0,0,1|1,0,0]=3 4284 B15R1.9084 CN(C)CC(=O)C/C=C/c1ccccc1 1458a_100000750896_100016265936 [0,1,0,0,0,1|2,0,0]=4 4285 B15R1.9084 C[C@@H](O)CC(=O)C/C=C/c1ccccc1 1458a_100011933948_100016265936 [0,1,0,0,0,1|1,0,0]=3 4286 B15R1.9084 C[S+](C)CC(=O)C/C=C/c1ccccc1 1458a_200159257847_100016265936 [0,1,0,0,0,1|2,0,0]=4 4287 B15R1.9084 O=C(C/C=C/c1ccccc1)CC(F)F 1458a_100011219626_100011934356 [0,1,0,0,0,1|2,0,0]=4 4288 B15R1.9084 O=C(C=CSc1ccccc1)CC(F)F 1458a_100016262050_100011934356 [0,1,0,0,0,1|2,0,0]=4 4289 B15R1.1251 CCOC(=O)COc1cccccc1=O 34a_100000036025_100000188475 [0,1,0,0,0,1|1,0,1]=4 4290 B15R1.1251 CCOC(=O)COc1cccccc1=O 7a_100000036025_100000188475 [0,1,0,0,0,1|1,0,1]=4 4291 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747444 [0,2,0,0,0,0|1,0,1]=4 4292 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000211992_100000188085 [0,2,0,0,0,0|1,0,1]=4 4293 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747444 [0,2,0,0,0,0|1,0,1]=4 4294 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000211992_100000211441 [0,2,0,0,0,0|1,0,1]=4 4295 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747444 [0,2,0,0,0,0|1,0,1]=4 4296 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000211992_100000211071 [0,2,0,0,0,0|1,0,1]=4 4297 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747444 [0,2,0,0,0,0|1,0,1]=4 4298 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000211992_100000211279 [0,2,0,0,0,0|1,0,1]=4 4299 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747444 [0,2,0,0,0,0|1,0,1]=4 4300 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000211992_100011216261 [0,2,0,0,0,0|1,0,1]=4 4301 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000211992_100009814261 [0,2,0,0,0,0|1,0,1]=4 4302 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747444 [0,2,0,0,0,0|1,0,1]=4 4303 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183381 [0,2,0,0,0,0|1,0,1]=4 4304 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183381 [0,2,0,0,0,0|1,0,1]=4 4305 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183381 [0,2,0,0,0,0|1,0,1]=4 4306 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183381 [0,2,0,0,0,0|1,0,1]=4 4307 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183381 [0,2,0,0,0,0|1,0,1]=4 4308 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183381 [0,2,0,0,0,0|1,0,1]=4 4309 B15R1.23 CCOC(=O)/C=C(\C)/c1cc[n+](cc1)[O-] 271570a_100050291487_100000039755 [0,2,0,0,0,0|1,0,0]=3 4310 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(=O)[nH]c1 271570a_100050291487_100000212171 [0,2,0,0,0,0|1,0,0]=3 4311 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(=O)[nH]n1 271570a_100050291487_100009820020 [0,2,0,0,0,0|2,0,0]=4 4312 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)Br 271570a_100050291487_100000752885 [0,2,0,0,0,0|0,0,0]=2 4313 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)C 271570a_100050291487_100000186775 [0,2,0,0,0,0|0,0,0]=2 4314 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)Cl 271570a_100050291487_100000755918 [0,2,0,0,0,0|0,0,0]=2 4315 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)F 271570a_100050291487_100000211213 [0,2,0,0,0,0|0,0,0]=2 4316 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)N 271570a_100050291487_100000185761 [0,2,0,0,0,0|0,0,0]=2 4317 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)O 271570a_100050291487_100000185759 [0,2,0,0,0,0|0,0,0]=2 4318 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)Br 271570a_100050291487_100000686858 [0,2,0,0,0,0|1,0,0]=3 4319 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)C 271570a_100050291487_100000754016 [0,2,0,0,0,0|1,0,0]=3 4320 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)Cl 271570a_100050291487_100011356976 [0,2,0,0,0,0|1,0,0]=3 4321 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)F 271570a_100050291487_100000744514 [0,2,0,0,0,0|1,0,0]=3 4322 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)N 271570a_100050291487_100000744251 [0,2,0,0,0,0|1,0,0]=3 4323 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)O 271570a_100050291487_100000685995 [0,2,0,0,0,0|1,0,0]=3 4324 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)Br 271570a_100050291487_100009814638 [0,2,0,0,0,0|1,0,0]=3 4325 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)C 271570a_100050291487_100000751577 [0,2,0,0,0,0|1,0,0]=3 4326 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)Cl 271570a_100050291487_100000034144 [0,2,0,0,0,0|1,0,0]=3 4327 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)F 271570a_100050291487_100000748661 [0,2,0,0,0,0|1,0,0]=3 4328 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)N 271570a_100050291487_100000187370 [0,2,0,0,0,0|1,0,0]=3 4329 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nn1)C 271570a_100050291487_100011450037 [0,2,0,0,0,0|2,0,0]=4 4330 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nn1)N 271570a_100050291487_100009816609 [0,2,0,0,0,0|2,0,0]=4 4331 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(=O)[nH]c1 271570a_100050291487_102495366499 [0,2,0,0,0,0|2,0,0]=4 4332 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(cn1)C 271570a_100050291487_100011999403 [0,2,0,0,0,0|2,0,0]=4 4333 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(cn1)F 271570a_100050291487_100009856528 [0,2,0,0,0,0|2,0,0]=4 4334 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(cn1)N 271570a_100050291487_100000761932 [0,2,0,0,0,0|2,0,0]=4 4335 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(nc1)Br 271570a_100050291487_200012349914 [0,2,0,0,0,0|2,0,0]=4 4336 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(nc1)C 271570a_100050291487_100000686985 [0,2,0,0,0,0|2,0,0]=4 4337 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(nc1)F 271570a_100050291487_100000685262 [0,2,0,0,0,0|2,0,0]=4 4338 B15R1.23 CCOC(=O)/C=C(\C)/c1cnc(nc1)N 271570a_100050291487_100000760574 [0,2,0,0,0,0|2,0,0]=4 4339 B15R1.23 CCOC(=O)/C=C(\C)/c1ncc(cn1)Br 271570a_100050291487_100000690281 [0,2,0,0,0,0|2,0,0]=4 4340 B15R1.23 CCOC(=O)/C=C(\C)/c1ncc(cn1)C 271570a_100050291487_100011825175 [0,2,0,0,0,0|2,0,0]=4 4341 B15R1.23 CCOC(=O)/C=C(\C)/c1ncc(cn1)Cl 271570a_100050291487_100011356929 [0,2,0,0,0,0|2,0,0]=4 4342 B15R1.23 CCOC(=O)/C=C(\C)/c1ncc(cn1)F 271570a_100050291487_100000685220 [0,2,0,0,0,0|2,0,0]=4 4343 B15R1.23 CCOC(=O)/C=C(\C)/c1ncc(cn1)N 271570a_100050291487_100000068403 [0,2,0,0,0,0|2,0,0]=4 4344 B15R1.23 CCOC(=O)/C=C(\C)/c1ncc(cn1)O 271570a_100050291487_100000730009 [0,2,0,0,0,0|2,0,0]=4 4345 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000188475 [0,2,0,0,0,0|0,0,1]=3 4346 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000188475 [0,2,0,0,0,0|0,0,1]=3 4347 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000188475 [0,2,0,0,0,0|0,0,1]=3 4348 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000188475 [0,2,0,0,0,0|0,0,1]=3 4349 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000188475 [0,2,0,0,0,0|0,0,1]=3 4350 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000188475 [0,2,0,0,0,0|0,0,1]=3 4351 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100011248966 [0,2,0,0,0,0|0,0,1]=3 4352 B15R1.23 CCOC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000750415 [0,2,0,0,0,0|0,0,2]=4 4353 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000188475 [0,2,0,0,0,0|1,0,1]=4 4354 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 2230a_200000219622_200000210301 [0,2,0,0,0,0|1,0,1]=4 4355 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000188475 [0,2,0,0,0,0|1,0,1]=4 4356 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 269982a_200000219622_200000210301 [0,2,0,0,0,0|1,0,1]=4 4357 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000188475 [0,2,0,0,0,0|1,0,1]=4 4358 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219976_200000210301 [0,2,0,0,0,0|1,0,1]=4 4359 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000188475 [0,2,0,0,0,0|1,0,1]=4 4360 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219976_200000210301 [0,2,0,0,0,0|1,0,1]=4 4361 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000188475 [0,2,0,0,0,0|1,0,1]=4 4362 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000188475 [0,2,0,0,0,0|1,0,1]=4 4363 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000188475 [0,2,0,0,0,0|1,0,1]=4 4364 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_200000220156_200000210301 [0,2,0,0,0,0|1,0,1]=4 4365 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000188475 [0,2,0,0,0,0|1,0,1]=4 4366 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_200000220156_200000210301 [0,2,0,0,0,0|1,0,1]=4 4367 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000188475 [0,2,0,0,0,0|1,0,1]=4 4368 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000188475 [0,2,0,0,0,0|1,0,1]=4 4369 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000188475 [0,2,0,0,0,0|1,0,1]=4 4370 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000188475 [0,2,0,0,0,0|1,0,1]=4 4371 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000188475 [0,2,0,0,0,0|1,0,1]=4 4372 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 2230a_200000220479_200000210301 [0,2,0,0,0,0|1,0,1]=4 4373 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000188475 [0,2,0,0,0,0|1,0,1]=4 4374 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 269982a_200000220479_200000210301 [0,2,0,0,0,0|1,0,1]=4 4375 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000188475 [0,2,0,0,0,0|1,0,1]=4 4376 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000188475 [0,2,0,0,0,0|1,0,1]=4 4377 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000188475 [0,2,0,0,0,0|1,0,1]=4 4378 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Br 2230a_200000219622_200025704644 [0,2,0,0,0,0|1,0,1]=4 4379 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Br 269982a_200000219622_200025704644 [0,2,0,0,0,0|1,0,1]=4 4380 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)C 2230a_100000219976_200025704644 [0,2,0,0,0,0|1,0,1]=4 4381 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)C 269982a_100000219976_200025704644 [0,2,0,0,0,0|1,0,1]=4 4382 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Cl 2230a_200000220156_200025704644 [0,2,0,0,0,0|1,0,1]=4 4383 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Cl 269982a_200000220156_200025704644 [0,2,0,0,0,0|1,0,1]=4 4384 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)I 2230a_200000220479_200025704644 [0,2,0,0,0,0|1,0,1]=4 4385 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)I 269982a_200000220479_200025704644 [0,2,0,0,0,0|1,0,1]=4 4386 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000747444 [0,2,0,0,0,0|1,0,1]=4 4387 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000211992_100000212080 [0,2,0,0,0,0|1,0,1]=4 4388 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000747444 [0,2,0,0,0,0|1,0,1]=4 4389 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000211992_100000739480 [0,2,0,0,0,0|1,0,1]=4 4390 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000747444 [0,2,0,0,0,0|1,0,1]=4 4391 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000211992_100000211444 [0,2,0,0,0,0|1,0,1]=4 4392 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000747444 [0,2,0,0,0,0|1,0,1]=4 4393 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000211992_100000215616 [0,2,0,0,0,0|1,0,1]=4 4394 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000747444 [0,2,0,0,0,0|1,0,1]=4 4395 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000747444 [0,2,0,0,0,0|1,0,1]=4 4396 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000211992_100009813753 [0,2,0,0,0,0|1,0,1]=4 4397 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183381 [0,2,0,0,0,0|1,0,1]=4 4398 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183381 [0,2,0,0,0,0|1,0,1]=4 4399 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183381 [0,2,0,0,0,0|1,0,1]=4 4400 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183381 [0,2,0,0,0,0|1,0,1]=4 4401 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183381 [0,2,0,0,0,0|1,0,1]=4 4402 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183381 [0,2,0,0,0,0|1,0,1]=4 4403 B15R1.24 CCOC(=O)/C=C(\C)/c1c[n+](ccn1)[O-] 271570a_100050291487_100009880115 [0,2,0,0,0,0|2,0,0]=4 4404 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)C 271570a_100050291487_100000750283 [0,2,0,0,0,0|1,0,0]=3 4405 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)Cl 271570a_100050291487_100010167805 [0,2,0,0,0,0|1,0,0]=3 4406 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)F 271570a_100050291487_100009817058 [0,2,0,0,0,0|1,0,0]=3 4407 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)N 271570a_100050291487_100009814236 [0,2,0,0,0,0|1,0,0]=3 4408 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)O 271570a_100050291487_100000762945 [0,2,0,0,0,0|1,0,0]=3 4409 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(cnn1)C 271570a_100050291487_100000070100 [0,2,0,0,0,0|2,0,0]=4 4410 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(cnn1)O 271570a_100050291487_200010734679 [0,2,0,0,0,0|2,0,0]=4 4411 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ncn1)C 271570a_100050291487_100000744208 [0,2,0,0,0,0|2,0,0]=4 4412 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ncn1)F 271570a_100050291487_200009880791 [0,2,0,0,0,0|2,0,0]=4 4413 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ncn1)N 271570a_100050291487_100000701291 [0,2,0,0,0,0|2,0,0]=4 4414 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ncn1)O 271570a_100050291487_100000765262 [0,2,0,0,0,0|2,0,0]=4 4415 B15R1.24 CCOC(=O)/C=C(\C)/c1cc[nH]c(=O)c1 271570a_100050291487_100009816521 [0,2,0,0,0,0|1,0,0]=3 4416 B15R1.24 CCOC(=O)/C=C(\C)/c1cc[nH]c(=O)n1 271570a_100050291487_200000134032 [0,2,0,0,0,0|2,0,0]=4 4417 B15R1.24 CCOC(=O)/C=C(\C)/c1ccc[n+](c1)C 271570a_100050291487_100009996589 [0,2,0,0,0,0|1,0,0]=3 4418 B15R1.24 CCOC(=O)/C=C(\C)/c1ccc[n+](c1)[O-] 271570a_100050291487_100009815978 [0,2,0,0,0,0|1,0,0]=3 4419 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(=O)[nH]1 271570a_100050291487_100000761760 [0,2,0,0,0,0|1,0,0]=3 4420 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)Br 271570a_100050291487_100000691529 [0,2,0,0,0,0|0,0,0]=2 4421 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)C 271570a_100050291487_100011215228 [0,2,0,0,0,0|0,0,0]=2 4422 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)Cl 271570a_100050291487_100000699651 [0,2,0,0,0,0|0,0,0]=2 4423 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)F 271570a_100050291487_100000685547 [0,2,0,0,0,0|0,0,0]=2 4424 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)N 271570a_100050291487_100000210019 [0,2,0,0,0,0|0,0,0]=2 4425 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)O 271570a_100050291487_100000211634 [0,2,0,0,0,0|0,0,0]=2 4426 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)[S] 271570a_100050291487_114929384022 [0,2,0,0,0,0|0,0,0]=2 4427 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)Br 271570a_100050291487_100000684672 [0,2,0,0,0,0|1,0,0]=3 4428 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)C 271570a_100050291487_100000742759 [0,2,0,0,0,0|1,0,0]=3 4429 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)F 271570a_100050291487_100009815982 [0,2,0,0,0,0|1,0,0]=3 4430 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)N 271570a_100050291487_100000740741 [0,2,0,0,0,0|1,0,0]=3 4431 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)Br 271570a_100050291487_100009814637 [0,2,0,0,0,0|1,0,0]=3 4432 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)C 271570a_100050291487_100000758586 [0,2,0,0,0,0|1,0,0]=3 4433 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)Cl 271570a_100050291487_100000035001 [0,2,0,0,0,0|1,0,0]=3 4434 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)F 271570a_100050291487_100009816116 [0,2,0,0,0,0|1,0,0]=3 4435 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)N 271570a_100050291487_100000744379 [0,2,0,0,0,0|1,0,0]=3 4436 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(n1)C 271570a_100050291487_100000749937 [0,2,0,0,0,0|2,0,0]=4 4437 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(n1)N 271570a_100050291487_100009820717 [0,2,0,0,0,0|2,0,0]=4 4438 B15R1.24 CCOC(=O)/C=C(\C)/c1cn[nH]c(=O)c1 271570a_100050291487_100010197405 [0,2,0,0,0,0|2,0,0]=4 4439 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)Br 271570a_100050291487_100000728054 [0,2,0,0,0,0|1,0,0]=3 4440 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)C 271570a_100050291487_100000760492 [0,2,0,0,0,0|1,0,0]=3 4441 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)Cl 271570a_100050291487_100000049639 [0,2,0,0,0,0|1,0,0]=3 4442 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)F 271570a_100050291487_100000744099 [0,2,0,0,0,0|1,0,0]=3 4443 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)N 271570a_100050291487_100000687067 [0,2,0,0,0,0|1,0,0]=3 4444 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)O 271570a_100050291487_100000754920 [0,2,0,0,0,0|1,0,0]=3 4445 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(n1)C 271570a_100050291487_100009842155 [0,2,0,0,0,0|2,0,0]=4 4446 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(n1)F 271570a_100050291487_200009863489 [0,2,0,0,0,0|2,0,0]=4 4447 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(n1)N 271570a_100050291487_100009819714 [0,2,0,0,0,0|2,0,0]=4 4448 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(n1)O 271570a_100050291487_100011269956 [0,2,0,0,0,0|2,0,0]=4 4449 B15R1.24 CCOC(=O)/C=C(\C)/c1cnnc(c1)N 271570a_100050291487_100000130277 [0,2,0,0,0,0|2,0,0]=4 4450 B15R1.24 CCOC(=O)/C=C(\C)/c1nccc(n1)C 271570a_100050291487_100011243806 [0,2,0,0,0,0|2,0,0]=4 4451 B15R1.24 CCOC(=O)/C=C(\C)/c1nccc(n1)N 271570a_100050291487_100000757536 [0,2,0,0,0,0|2,0,0]=4 4452 B15R1.24 CCOC(=O)/C=C(\C)/c1nccc(n1)O 271570a_100050291487_100011649813 [0,2,0,0,0,0|2,0,0]=4 4453 B15R1.24 CCOC(=O)C=C(C)c1cccc(c1)O 271570a_203496583355_100038093329 [0,2,0,0,0,0|0,0,0]=2 4454 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000188475 [0,2,0,0,0,0|0,0,1]=3 4455 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000188475 [0,2,0,0,0,0|0,0,1]=3 4456 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000188475 [0,2,0,0,0,0|0,0,1]=3 4457 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000188475 [0,2,0,0,0,0|0,0,1]=3 4458 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000188475 [0,2,0,0,0,0|0,0,1]=3 4459 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000188475 [0,2,0,0,0,0|0,0,1]=3 4460 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)O 271570a_203496583355_100011248971 [0,2,0,0,0,0|0,0,1]=3 4461 B15R1.24 CCOC(=O)CC(=O)c1cncc(c1)O 271570a_203496583355_100012351078 [0,2,0,0,0,0|1,0,1]=4 4462 B15R1.24 CCOC(=O)CC(N)c1cccc(c1)O 271570a_203496583355_100020603595 [0,2,0,0,0,0|0,0,2]=4 4463 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000188475 [0,2,0,0,0,0|1,0,1]=4 4464 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000188475 [0,2,0,0,0,0|1,0,1]=4 4465 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 269982a_200000219647_200000210301 [0,2,0,0,0,0|1,0,1]=4 4466 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000188475 [0,2,0,0,0,0|1,0,1]=4 4467 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000188475 [0,2,0,0,0,0|1,0,1]=4 4468 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 2230a_200000219673_200000210301 [0,2,0,0,0,0|1,0,1]=4 4469 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000188475 [0,2,0,0,0,0|1,0,1]=4 4470 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 269982a_200000219673_200000210301 [0,2,0,0,0,0|1,0,1]=4 4471 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000188475 [0,2,0,0,0,0|1,0,1]=4 4472 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220043_200000210301 [0,2,0,0,0,0|1,0,1]=4 4473 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000188475 [0,2,0,0,0,0|1,0,1]=4 4474 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220043_200000210301 [0,2,0,0,0,0|1,0,1]=4 4475 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000188475 [0,2,0,0,0,0|1,0,1]=4 4476 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000188475 [0,2,0,0,0,0|1,0,1]=4 4477 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 2230a_100000220069_200000210301 [0,2,0,0,0,0|1,0,1]=4 4478 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000188475 [0,2,0,0,0,0|1,0,1]=4 4479 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 269982a_100000220069_200000210301 [0,2,0,0,0,0|1,0,1]=4 4480 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000188475 [0,2,0,0,0,0|1,0,1]=4 4481 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000188475 [0,2,0,0,0,0|1,0,1]=4 4482 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000188475 [0,2,0,0,0,0|1,0,1]=4 4483 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000188475 [0,2,0,0,0,0|1,0,1]=4 4484 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000188475 [0,2,0,0,0,0|1,0,1]=4 4485 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000188475 [0,2,0,0,0,0|1,0,1]=4 4486 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000188475 [0,2,0,0,0,0|1,0,1]=4 4487 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000188475 [0,2,0,0,0,0|1,0,1]=4 4488 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Br 269982a_200000219647_200025704644 [0,2,0,0,0,0|1,0,1]=4 4489 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)C 2230a_200000219673_200025704644 [0,2,0,0,0,0|1,0,1]=4 4490 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)C 269982a_200000219673_200025704644 [0,2,0,0,0,0|1,0,1]=4 4491 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Cl 2230a_100000220043_200025704644 [0,2,0,0,0,0|1,0,1]=4 4492 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Cl 269982a_100000220043_200025704644 [0,2,0,0,0,0|1,0,1]=4 4493 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)F 2230a_100000220069_200025704644 [0,2,0,0,0,0|1,0,1]=4 4494 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)F 269982a_100000220069_200025704644 [0,2,0,0,0,0|1,0,1]=4 4495 B15R1.115 C#CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000753159 [0,2,0,0,0,0|1,0,1]=4 4496 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 11a_100000212058_100000743005 [0,2,0,0,0,0|1,0,1]=4 4497 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 1626a_100000212058_100000743005 [0,2,0,0,0,0|1,0,1]=4 4498 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 240690a_100000212058_100000743005 [0,2,0,0,0,0|1,0,1]=4 4499 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 527a_100000212058_100000743005 [0,2,0,0,0,0|1,0,1]=4 4500 B15R1.115 C/C=C/CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100102629194 [0,2,0,0,0,0|1,0,1]=4 4501 B15R1.115 C=C(CC(=O)c1ccccc1)OCOC 1458a_100000185807_100000042856 [0,2,0,0,0,0|1,0,1]=4 4502 B15R1.115 C=CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000754431 [0,2,0,0,0,0|1,0,1]=4 4503 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 1626a_100020586998_100000743005 [0,2,0,0,0,0|1,0,1]=4 4504 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 240690a_100020586998_100000743005 [0,2,0,0,0,0|1,0,1]=4 4505 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 527a_100020586998_100000743005 [0,2,0,0,0,0|1,0,1]=4 4506 B15R1.115 C=CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000033060 [0,2,0,0,0,0|0,0,2]=4 4507 B15R1.115 CC#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000748600 [0,2,0,0,0,0|1,0,1]=4 4508 B15R1.115 CC(=CC(=O)CCC#N)c1ccccc1 1458a_100000743005_100011215226 [0,2,0,0,0,0|1,0,1]=4 4509 B15R1.115 CC(=CC(=O)CCCF)c1ccccc1 1458a_100000743005_100011934791 [0,2,0,0,0,0|1,0,0]=3 4510 B15R1.115 CC(=CC(=O)CCCO)c1ccccc1 1458a_100000743005_100011215043 [0,2,0,0,0,0|1,0,0]=3 4511 B15R1.115 CC(=CC(=O)NCC#N)c1ccccc1 1626a_100000734998_100000743005 [0,2,0,0,0,0|1,0,1]=4 4512 B15R1.115 CC(=CC(=O)NCC#N)c1ccccc1 527a_100000734998_100000743005 [0,2,0,0,0,0|1,0,1]=4 4513 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 11a_100000724931_100000743005 [0,2,0,0,0,0|1,0,0]=3 4514 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000743005 [0,2,0,0,0,0|1,0,0]=3 4515 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000743005 [0,2,0,0,0,0|1,0,0]=3 4516 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 527a_100000724931_100000743005 [0,2,0,0,0,0|1,0,0]=3 4517 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000743005 [0,2,0,0,0,0|1,0,0]=3 4518 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 527a_100000210304_100000743005 [0,2,0,0,0,0|1,0,0]=3 4519 B15R1.115 CC=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000070051 [0,2,0,0,0,0|1,0,1]=4 4520 B15R1.115 CCC#CC(=O)CC(=O)c1ccccc1 1458a_100011827653_100000211460 [0,2,0,0,0,0|1,0,1]=4 4521 B15R1.115 CCC=CC(=O)CC(=O)c1ccccc1 1458a_100000212282_100000211460 [0,2,0,0,0,0|1,0,1]=4 4522 B15R1.115 CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210211 [0,2,0,0,0,0|1,0,0]=3 4523 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [0,2,0,0,0,0|1,0,1]=4 4524 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 11a_100020643023_100000743005 [0,2,0,0,0,0|1,0,0]=3 4525 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 1626a_100020643023_100000743005 [0,2,0,0,0,0|1,0,0]=3 4526 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 240690a_100020643023_100000743005 [0,2,0,0,0,0|1,0,0]=3 4527 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 527a_100020643023_100000743005 [0,2,0,0,0,0|1,0,0]=3 4528 B15R1.115 CCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183358 [0,2,0,0,0,0|1,0,1]=4 4529 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [0,2,0,0,0,0|0,0,1]=3 4530 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200011215008 [0,2,0,0,0,0|1,0,1]=4 4531 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200011215008 [0,2,0,0,0,0|1,0,1]=4 4532 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200011215008 [0,2,0,0,0,0|1,0,1]=4 4533 B15R1.115 CCNNC(=O)C=C(C)c1ccccc1 22a_100000756455_100000743005 [0,2,0,0,0,0|1,0,0]=3 4534 B15R1.115 CCOCC(=O)CC(=O)c1ccccc1 1458a_100000211967_100000211460 [0,2,0,0,0,0|0,0,1]=3 4535 B15R1.115 CCOCC(=O)CC(=O)c1ccccn1 1458a_100000211967_100000027445 [0,2,0,0,0,0|1,0,1]=4 4536 B15R1.115 CCOCC(=O)CC(=O)c1cccnc1 1458a_100000211967_100015188593 [0,2,0,0,0,0|1,0,1]=4 4537 B15R1.115 CCOCC(=O)CC(=O)c1ccncc1 1458a_100000211967_100000027454 [0,2,0,0,0,0|1,0,1]=4 4538 B15R1.115 CCOCC(=O)CC(C)c1ccccc1 1458a_100000211967_100000756946 [0,2,0,0,0,0|0,0,2]=4 4539 B15R1.115 CCOCC(=O)CC(O)c1ccccc1 1458a_100000211967_100000185958 [0,2,0,0,0,0|0,0,2]=4 4540 B15R1.115 CCOCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211967_100011933945 [0,2,0,0,0,0|0,0,2]=4 4541 B15R1.115 CCOCC(=O)NC(C)c1ccccc1 34a_100121572206_200000243715 [0,2,0,0,0,0|1,0,1]=4 4542 B15R1.115 CCOCC(=O)N[C@@H](C)c1ccccc1 34a_100121572206_100011939912 [0,2,0,0,0,0|1,0,1]=4 4543 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211967 [0,2,0,0,0,0|1,0,1]=4 4544 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211967 [0,2,0,0,0,0|1,0,1]=4 4545 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211967 [0,2,0,0,0,0|1,0,1]=4 4546 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211967 [0,2,0,0,0,0|1,0,1]=4 4547 B15R1.115 CCSCC(=O)CC(=O)c1ccccc1 1458a_100000230394_100000211460 [0,2,0,0,0,0|0,1,1]=4 4548 B15R1.115 CCSCC(=O)NC(=O)c1ccccc1 62a_100000210202_100000010347 [0,2,0,0,0,0|1,1,0]=4 4549 B15R1.115 COCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000233755 [0,2,0,0,0,0|1,0,0]=3 4550 B15R1.115 COCCC(=O)CC(=O)c1ccccc1 1458a_100000749529_100000211460 [0,2,0,0,0,0|1,0,1]=4 4551 B15R1.115 CSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000751147 [0,2,0,0,0,0|1,0,0]=3 4552 B15R1.115 CSCCC(=O)CC(=O)c1ccccc1 1458a_100000174002_100000211460 [0,2,0,0,0,0|1,0,1]=4 4553 B15R1.578 CCCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000210303 [0,2,0,0,0,0|2,0,0]=4 4554 B15R1.578 CCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000211992_100000239700 [0,2,0,0,0,0|1,0,1]=4 4555 B15R1.578 CCNC(=O)C(=O)C(C)c1ccccc1 1458a_200011297158_100000230085 [0,2,0,0,0,0|1,0,1]=4 4556 B15R1.578 CCNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_200011297158 [0,2,0,0,0,0|2,0,0]=4 4557 B15R1.578 CCNC(=O)C(=O)N(C)c1ccccc1 22a_100000210012_200011297158 [0,2,0,0,0,0|2,0,0]=4 4558 B15R1.578 CCNC(=O)C(=O)N(C)c1ccccc1 240690a_100015525214_100011297159 [0,2,0,0,0,0|2,0,0]=4 4559 B15R1.578 CCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000230173 [0,2,0,0,0,0|1,0,1]=4 4560 B15R1.578 CCOC(=O)C(=O)N(C)c1ccccc1 11a_100000210012_100014798877 [0,2,0,0,0,0|1,0,0]=3 4561 B15R1.578 CCOC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100014798877 [0,2,0,0,0,0|1,0,0]=3 4562 B15R1.578 CCOC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100011216346 [0,2,0,0,0,0|0,0,1]=3 4563 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100011215307 [0,2,0,0,0,0|1,0,1]=4 4564 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100011216346 [0,2,0,0,0,0|1,0,1]=4 4565 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100011216346 [0,2,0,0,0,0|1,0,1]=4 4566 B15R1.578 CCOC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100000760018 [0,2,0,0,0,0|0,0,1]=3 4567 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 2230a_100000210012_100000760018 [0,2,0,0,0,0|1,0,1]=4 4568 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 269982a_100000210012_100000760018 [0,2,0,0,0,0|1,0,1]=4 4569 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 34a_100000210012_100000760018 [0,2,0,0,0,0|1,0,1]=4 4570 B15R1.947 CCC(C)C(=O)C=C(C)c1ccccc1 1458a_100000743005_100000758301 [0,2,0,0,0,0|1,0,0]=3 4571 B15R1.947 CCC(C)C(=O)CC(=O)c1ccccc1 1458a_100011192722_100000211460 [0,2,0,0,0,0|1,0,1]=4 4572 B15R1.947 CCC(O)C(=O)CC(=O)c1ccccc1 1458a_100011196387_100000211460 [0,2,0,0,0,0|1,0,1]=4 4573 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 11a_100000225621_100000743005 [0,2,0,0,0,0|1,0,0]=3 4574 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000225621_100000743005 [0,2,0,0,0,0|1,0,0]=3 4575 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000225621_100000743005 [0,2,0,0,0,0|1,0,0]=3 4576 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 527a_100000225621_100000743005 [0,2,0,0,0,0|1,0,0]=3 4577 B15R1.947 CCN(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011894763 [0,2,0,0,0,0|1,0,1]=4 4578 B15R1.1076 C=C(C)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000748629 [0,2,0,0,0,0|1,0,1]=4 4579 B15R1.1076 CC(=CC(=O)CC(C)C)c1ccccc1 1458a_100000743005_100000210624 [0,2,0,0,0,0|1,0,0]=3 4580 B15R1.1076 CC(=CC(=O)CC(C)O)c1ccccc1 1458a_100000743005_100011218427 [0,2,0,0,0,0|1,0,0]=3 4581 B15R1.1076 CC(=CC(=O)CC(F)F)c1ccccc1 1458a_100000743005_100011934356 [0,2,0,0,0,0|2,0,0]=4 4582 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 11a_100138425928_100000743005 [0,2,0,0,0,0|1,0,0]=3 4583 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000743005 [0,2,0,0,0,0|1,0,0]=3 4584 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000743005 [0,2,0,0,0,0|1,0,0]=3 4585 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 527a_100138425928_100000743005 [0,2,0,0,0,0|1,0,0]=3 4586 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000210554_100000211460 [0,2,0,0,0,0|1,0,1]=4 4587 B15R1.1076 CC(C)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183996 [0,2,0,0,0,0|1,0,1]=4 4588 B15R1.1076 CC(C)OC(=O)CC(=O)c1ccccc1 1458a_100000185807_100011215430 [0,2,0,0,0,0|0,0,1]=3 4589 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 2230a_100000210012_100011215430 [0,2,0,0,0,0|1,0,1]=4 4590 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 269982a_100000210012_100011215430 [0,2,0,0,0,0|1,0,1]=4 4591 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 34a_100000210012_100011215430 [0,2,0,0,0,0|1,0,1]=4 4592 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1ccccc1 1458a_100011933948_100000211460 [0,2,0,0,0,0|1,0,1]=4 4593 B15R1.1257 CCOC(=O)CC(OC)c1ccccc1 7a_100000756809_200000210301 [0,2,0,0,0,0|0,0,2]=4 4594 B15R1.1257 CCOC(=O)CC(O[13CH3])c1ccccc1 7a_100000756809_200025704644 [0,2,0,0,0,0|0,0,2]=4 4595 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000188475 [0,2,0,0,0,0|1,0,1]=4 4596 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000219562_100000210202 [0,2,0,0,0,0|1,0,1]=4 4597 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000188475 [0,2,0,0,0,0|1,0,1]=4 4598 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000219562_100000204670 [0,2,0,0,0,0|1,0,1]=4 4599 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 34a_100000210013_100000188475 [0,2,0,0,0,0|1,0,1]=4 4600 B15R1.1257 CCOC(=O)CN(CF)c1ccccc1 269982a_100000219562_100015361967 [0,2,0,0,0,0|1,0,1]=4 4601 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747444 [0,2,0,0,0,0|1,0,1]=4 4602 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Br 1458a_100000211992_100000199116 [0,2,0,0,0,0|1,0,1]=4 4603 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1C 1458a_100000211992_100000741374 [0,2,0,0,0,0|1,0,1]=4 4604 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747444 [0,2,0,0,0,0|1,0,1]=4 4605 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747444 [0,2,0,0,0,0|1,0,1]=4 4606 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000211992_100000211432 [0,2,0,0,0,0|1,0,1]=4 4607 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747444 [0,2,0,0,0,0|1,0,1]=4 4608 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1F 1458a_100000211992_100000204681 [0,2,0,0,0,0|1,0,1]=4 4609 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747444 [0,2,0,0,0,0|1,0,1]=4 4610 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1O 1458a_100000211992_100000188908 [0,2,0,0,0,0|1,0,1]=4 4611 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747444 [0,2,0,0,0,0|1,0,1]=4 4612 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747444 [0,2,0,0,0,0|1,0,1]=4 4613 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183381 [0,2,0,0,0,0|1,0,1]=4 4614 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183381 [0,2,0,0,0,0|1,0,1]=4 4615 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183381 [0,2,0,0,0,0|1,0,1]=4 4616 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183381 [0,2,0,0,0,0|1,0,1]=4 4617 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183381 [0,2,0,0,0,0|1,0,1]=4 4618 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183381 [0,2,0,0,0,0|1,0,1]=4 4619 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183381 [0,2,0,0,0,0|1,0,1]=4 4620 B15R1.3722 CCOC(=O)/C=C(\C)/c1c[nH]ccc1=O 271570a_100050291487_100009998708 [0,2,0,0,0,0|1,0,0]=3 4621 B15R1.3722 CCOC(=O)/C=C(\C)/c1c[nH]ccc1=S 271570a_100050291487_200012280681 [0,2,0,0,0,0|1,0,0]=3 4622 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccc[nH]c1=O 271570a_100050291487_100000050042 [0,2,0,0,0,0|1,0,0]=3 4623 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccc[n+]1C 271570a_100050291487_100000212160 [0,2,0,0,0,0|1,0,0]=3 4624 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccc[n+]1[O-] 271570a_100050291487_200000042595 [0,2,0,0,0,0|1,0,0]=3 4625 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1Br 271570a_100050291487_100000695589 [0,2,0,0,0,0|0,0,0]=2 4626 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1C 271570a_100050291487_100000210755 [0,2,0,0,0,0|0,0,0]=2 4627 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1Cl 271570a_100050291487_100000764095 [0,2,0,0,0,0|0,0,0]=2 4628 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1F 271570a_100050291487_100011215700 [0,2,0,0,0,0|0,0,0]=2 4629 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1N 271570a_100050291487_100000210017 [0,2,0,0,0,0|0,0,0]=2 4630 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1O 271570a_100050291487_100000739446 [0,2,0,0,0,0|0,0,0]=2 4631 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1Br 271570a_100050291487_100010202626 [0,2,0,0,0,0|1,0,0]=3 4632 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1C 271570a_100050291487_100000751574 [0,2,0,0,0,0|1,0,0]=3 4633 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1Cl 271570a_100050291487_100000036424 [0,2,0,0,0,0|1,0,0]=3 4634 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1F 271570a_100050291487_100009816115 [0,2,0,0,0,0|1,0,0]=3 4635 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1N 271570a_100050291487_100000045569 [0,2,0,0,0,0|1,0,0]=3 4636 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccn[nH]c1=O 271570a_100050291487_100000087129 [0,2,0,0,0,0|2,0,0]=4 4637 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1Br 271570a_100050291487_100000726257 [0,2,0,0,0,0|1,0,0]=3 4638 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1C 271570a_100050291487_100015191297 [0,2,0,0,0,0|1,0,0]=3 4639 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1Cl 271570a_100050291487_100000708259 [0,2,0,0,0,0|1,0,0]=3 4640 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1F 271570a_100050291487_100000047030 [0,2,0,0,0,0|1,0,0]=3 4641 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1N 271570a_100050291487_100009815883 [0,2,0,0,0,0|1,0,0]=3 4642 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1O 271570a_100050291487_100009817591 [0,2,0,0,0,0|1,0,0]=3 4643 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1Br 271570a_100050291487_100010138639 [0,2,0,0,0,0|1,0,0]=3 4644 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1C 271570a_100050291487_100000761580 [0,2,0,0,0,0|1,0,0]=3 4645 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1Cl 271570a_100050291487_100009995489 [0,2,0,0,0,0|1,0,0]=3 4646 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1F 271570a_100050291487_100009820683 [0,2,0,0,0,0|1,0,0]=3 4647 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1N 271570a_100050291487_100000047001 [0,2,0,0,0,0|1,0,0]=3 4648 B15R1.3722 CCOC(=O)/C=C(\C)/c1cncnc1Br 271570a_100050291487_200012461658 [0,2,0,0,0,0|2,0,0]=4 4649 B15R1.3722 CCOC(=O)/C=C(\C)/c1cncnc1C 271570a_100050291487_100009819671 [0,2,0,0,0,0|2,0,0]=4 4650 B15R1.3722 CCOC(=O)/C=C(\C)/c1cncnc1Cl 271570a_100050291487_100000758962 [0,2,0,0,0,0|2,0,0]=4 4651 B15R1.3722 CCOC(=O)/C=C(\C)/c1cncnc1N 271570a_100050291487_100011996079 [0,2,0,0,0,0|2,0,0]=4 4652 B15R1.3722 CCOC(=O)/C=C(\C)/c1cncnc1O 271570a_100050291487_100000751107 [0,2,0,0,0,0|2,0,0]=4 4653 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnncc1N 271570a_100050291487_100009829405 [0,2,0,0,0,0|2,0,0]=4 4654 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncc[nH]c1=O 271570a_100050291487_100000763361 [0,2,0,0,0,0|2,0,0]=4 4655 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1Br 271570a_100050291487_100000696092 [0,2,0,0,0,0|1,0,0]=3 4656 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1C 271570a_100050291487_100000751373 [0,2,0,0,0,0|1,0,0]=3 4657 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1Cl 271570a_100050291487_100011356963 [0,2,0,0,0,0|1,0,0]=3 4658 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1F 271570a_100050291487_100000685392 [0,2,0,0,0,0|1,0,0]=3 4659 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1N 271570a_100050291487_100000688686 [0,2,0,0,0,0|1,0,0]=3 4660 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1O 271570a_100050291487_100000034122 [0,2,0,0,0,0|1,0,0]=3 4661 B15R1.3722 CCOC(=O)/C=C(\C)/c1nccnc1C 271570a_100050291487_100011999405 [0,2,0,0,0,0|2,0,0]=4 4662 B15R1.3722 CCOC(=O)/C=C(\C)/c1nccnc1F 271570a_100050291487_200010125657 [0,2,0,0,0,0|2,0,0]=4 4663 B15R1.3722 CCOC(=O)/C=C(\C)/c1nccnc1N 271570a_100050291487_100000747729 [0,2,0,0,0,0|2,0,0]=4 4664 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncncc1C 271570a_100050291487_100011998708 [0,2,0,0,0,0|2,0,0]=4 4665 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncncc1F 271570a_100050291487_100000069762 [0,2,0,0,0,0|2,0,0]=4 4666 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncncc1N 271570a_100050291487_100000709731 [0,2,0,0,0,0|2,0,0]=4 4667 B15R1.3722 CCOC(=O)/C=C(\C)/c1nnccc1C 271570a_100050291487_100000089043 [0,2,0,0,0,0|2,0,0]=4 4668 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000188475 [0,2,0,0,0,0|0,0,1]=3 4669 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000188475 [0,2,0,0,0,0|0,0,1]=3 4670 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000188475 [0,2,0,0,0,0|0,0,1]=3 4671 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000188475 [0,2,0,0,0,0|0,0,1]=3 4672 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000188475 [0,2,0,0,0,0|0,0,1]=3 4673 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000188475 [0,2,0,0,0,0|0,0,1]=3 4674 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1O 271570a_203496583355_100011248968 [0,2,0,0,0,0|0,0,1]=3 4675 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000188475 [0,2,0,0,0,0|0,0,1]=3 4676 B15R1.3722 CCOC(=O)CC(=O)c1cccnc1O 271570a_203496583355_100010079012 [0,2,0,0,0,0|1,0,1]=4 4677 B15R1.3722 CCOC(=O)CC(N)c1ccccc1O 271570a_203496583355_100020603594 [0,2,0,0,0,0|0,0,2]=4 4678 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000188475 [0,2,0,0,0,0|1,0,1]=4 4679 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000188475 [0,2,0,0,0,0|1,0,1]=4 4680 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000188475 [0,2,0,0,0,0|1,0,1]=4 4681 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000188475 [0,2,0,0,0,0|1,0,1]=4 4682 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 2230a_200000219698_200000210301 [0,2,0,0,0,0|1,0,1]=4 4683 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000188475 [0,2,0,0,0,0|1,0,1]=4 4684 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 269982a_200000219698_200000210301 [0,2,0,0,0,0|1,0,1]=4 4685 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 34a_100000219699_100000188475 [0,2,0,0,0,0|1,0,1]=4 4686 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000188475 [0,2,0,0,0,0|1,0,1]=4 4687 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000188475 [0,2,0,0,0,0|1,0,1]=4 4688 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 269982a_200000219373_200000210301 [0,2,0,0,0,0|1,0,1]=4 4689 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000188475 [0,2,0,0,0,0|1,0,1]=4 4690 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000188475 [0,2,0,0,0,0|1,0,1]=4 4691 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 269982a_100000220356_200000210301 [0,2,0,0,0,0|1,0,1]=4 4692 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000188475 [0,2,0,0,0,0|1,0,1]=4 4693 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 34a_100000220357_100000188475 [0,2,0,0,0,0|1,0,1]=4 4694 B15R1.3722 CCOC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000188475 [0,2,0,0,0,0|1,0,1]=4 4695 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1C 2230a_200000219698_200025704644 [0,2,0,0,0,0|1,0,1]=4 4696 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1C 269982a_200000219698_200025704644 [0,2,0,0,0,0|1,0,1]=4 4697 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1Cl 269982a_200000219373_200025704644 [0,2,0,0,0,0|1,0,1]=4 4698 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1F 269982a_100000220356_200025704644 [0,2,0,0,0,0|1,0,1]=4 4699 B15R1.27 CCCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000210303 [0,2,0,0,0,0|1,0,0]=3 4700 B15R1.27 CCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000210303 [0,2,0,0,0,0|1,0,0]=3 4701 B15R1.27 CCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000210303 [0,2,0,0,0,0|1,0,0]=3 4702 B15R1.27 CCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000210303 [0,2,0,0,0,0|1,0,0]=3 4703 B15R1.27 CCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000210303 [0,2,0,0,0,0|1,0,0]=3 4704 B15R1.27 CCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100011215381 [0,2,0,0,0,0|1,0,0]=3 4705 B15R1.27 CCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100011215381 [0,2,0,0,0,0|1,0,0]=3 4706 B15R1.27 CCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100011215381 [0,2,0,0,0,0|1,0,0]=3 4707 B15R1.27 CCNC(=O)C=Cc1cccc(c1C)F 11a_100015525214_100102526135 [0,2,0,0,0,0|1,0,0]=3 4708 B15R1.27 CCNC(=O)C=Cc1cccc(c1C)F 240690a_100015525214_100102526135 [0,2,0,0,0,0|1,0,0]=3 4709 B15R1.27 CCNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100015525214_100000184505 [0,2,0,0,0,0|1,0,0]=3 4710 B15R1.27 CCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100015525214_100000184505 [0,2,0,0,0,0|1,0,0]=3 4711 B15R1.27 CCNC(=O)C=Cc1cccc(c1F)Br 11a_100015525214_100012351547 [0,2,0,0,0,0|1,0,0]=3 4712 B15R1.27 CCNC(=O)C=Cc1cccc(c1F)Br 240690a_100015525214_100012351547 [0,2,0,0,0,0|1,0,0]=3 4713 B15R1.27 CCNC(=O)C=Cc1cccc(c1F)Cl 11a_100015525214_100011217667 [0,2,0,0,0,0|1,0,0]=3 4714 B15R1.27 CCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100015525214_100011217667 [0,2,0,0,0,0|1,0,0]=3 4715 B15R1.27 CCNC(=O)C=Cc1cccc(c1F)F 11a_100015525214_100102526107 [0,2,0,0,0,0|1,0,0]=3 4716 B15R1.27 CCNC(=O)C=Cc1cccc(c1F)F 240690a_100015525214_100102526107 [0,2,0,0,0,0|1,0,0]=3 4717 B15R1.27 CCOC(=O)C=Cc1cccc(=O)n1C 271570a_100010199719_100000726605 [0,2,0,0,0,0|1,0,0]=3 4718 B15R1.27 CCOC(=O)C=Cc1cccc(c1Br)O 271570a_100010199719_100010187914 [0,2,0,0,0,0|0,0,0]=2 4719 B15R1.27 CCOC(=O)C=Cc1cccc(c1C)Br 271570a_100010199719_100012353703 [0,2,0,0,0,0|0,0,0]=2 4720 B15R1.27 CCOC(=O)C=Cc1cccc(c1C)C 271570a_100010199719_100011214922 [0,2,0,0,0,0|0,0,0]=2 4721 B15R1.27 CCOC(=O)C=Cc1cccc(c1C)Cl 271570a_100010199719_100000726075 [0,2,0,0,0,0|0,0,0]=2 4722 B15R1.27 CCOC(=O)C=Cc1cccc(c1C)F 271570a_100010199719_100011216893 [0,2,0,0,0,0|0,0,0]=2 4723 B15R1.27 CCOC(=O)C=Cc1cccc(c1C)N 271570a_100010199719_100000761887 [0,2,0,0,0,0|0,0,0]=2 4724 B15R1.27 CCOC(=O)C=Cc1cccc(c1C)O 271570a_100010199719_100012002258 [0,2,0,0,0,0|0,0,0]=2 4725 B15R1.27 CCOC(=O)C=Cc1cccc(c1Cl)Br 271570a_100010199719_100010142854 [0,2,0,0,0,0|0,0,0]=2 4726 B15R1.27 CCOC(=O)C=Cc1cccc(c1Cl)C 271570a_100010199719_200012352035 [0,2,0,0,0,0|0,0,0]=2 4727 B15R1.27 CCOC(=O)C=Cc1cccc(c1Cl)Cl 271570a_100010199719_100011215384 [0,2,0,0,0,0|0,0,0]=2 4728 B15R1.27 CCOC(=O)C=Cc1cccc(c1Cl)F 271570a_100010199719_200010234923 [0,2,0,0,0,0|0,0,0]=2 4729 B15R1.27 CCOC(=O)C=Cc1cccc(c1Cl)O 271570a_100010199719_100000049636 [0,2,0,0,0,0|0,0,0]=2 4730 B15R1.27 CCOC(=O)C=Cc1cccc(c1F)Br 271570a_100010199719_100000702267 [0,2,0,0,0,0|0,0,0]=2 4731 B15R1.27 CCOC(=O)C=Cc1cccc(c1F)C 271570a_100010199719_100000717567 [0,2,0,0,0,0|0,0,0]=2 4732 B15R1.27 CCOC(=O)C=Cc1cccc(c1F)Cl 271570a_100010199719_100011217346 [0,2,0,0,0,0|0,0,0]=2 4733 B15R1.27 CCOC(=O)C=Cc1cccc(c1F)F 271570a_100010199719_100000694657 [0,2,0,0,0,0|0,0,0]=2 4734 B15R1.27 CCOC(=O)C=Cc1cccc(c1F)N 271570a_100010199719_100011935091 [0,2,0,0,0,0|0,0,0]=2 4735 B15R1.27 CCOC(=O)C=Cc1cccc(c1F)O 271570a_100010199719_100009817021 [0,2,0,0,0,0|0,0,0]=2 4736 B15R1.27 CCOC(=O)C=Cc1cccc(c1N)Br 271570a_100010199719_100010146558 [0,2,0,0,0,0|0,0,0]=2 4737 B15R1.27 CCOC(=O)C=Cc1cccc(c1N)C 271570a_100010199719_100011834072 [0,2,0,0,0,0|0,0,0]=2 4738 B15R1.27 CCOC(=O)C=Cc1cccc(c1N)Cl 271570a_100010199719_100010190421 [0,2,0,0,0,0|0,0,0]=2 4739 B15R1.27 CCOC(=O)C=Cc1cccc(c1N)F 271570a_100010199719_100000042321 [0,2,0,0,0,0|0,0,0]=2 4740 B15R1.27 CCOC(=O)C=Cc1cccc(c1N)N 271570a_100010199719_100015191791 [0,2,0,0,0,0|0,0,0]=2 4741 B15R1.27 CCOC(=O)C=Cc1cccc(c1N)O 271570a_100010199719_100011934926 [0,2,0,0,0,0|0,0,0]=2 4742 B15R1.27 CCOC(=O)C=Cc1cccc(c1O)Br 271570a_100010199719_100010084509 [0,2,0,0,0,0|0,0,0]=2 4743 B15R1.27 CCOC(=O)C=Cc1cccc(c1O)C 271570a_100010199719_100009817157 [0,2,0,0,0,0|0,0,0]=2 4744 B15R1.27 CCOC(=O)C=Cc1cccc(c1O)Cl 271570a_100010199719_100010202889 [0,2,0,0,0,0|0,0,0]=2 4745 B15R1.27 CCOC(=O)C=Cc1cccc(c1O)F 271570a_100010199719_100009813666 [0,2,0,0,0,0|0,0,0]=2 4746 B15R1.27 CCOC(=O)C=Cc1cccc(c1O)N 271570a_100010199719_100011934915 [0,2,0,0,0,0|0,0,0]=2 4747 B15R1.27 CCOC(=O)C=Cc1cccc(c1O)O 271570a_100010199719_100009815950 [0,2,0,0,0,0|0,0,0]=2 4748 B15R1.27 CCOC(=O)C=Cc1cccn(c1=O)C 271570a_100010199719_100000687173 [0,2,0,0,0,0|1,0,0]=3 4749 B15R1.27 CCOC(=O)C=Cc1ccnc(c1C)C 271570a_100010199719_100009846815 [0,2,0,0,0,0|1,0,0]=3 4750 B15R1.27 CCOC(=O)C=Cc1ccnc(c1C)Cl 271570a_100010199719_100000047055 [0,2,0,0,0,0|1,0,0]=3 4751 B15R1.27 CCOC(=O)C=Cc1ccnc(c1C)F 271570a_100010199719_100010006593 [0,2,0,0,0,0|1,0,0]=3 4752 B15R1.27 CCOC(=O)C=Cc1ccnc(c1C)N 271570a_100010199719_100009865460 [0,2,0,0,0,0|1,0,0]=3 4753 B15R1.27 CCOC(=O)C=Cc1ccnc(c1C)O 271570a_100010199719_100009858498 [0,2,0,0,0,0|1,0,0]=3 4754 B15R1.27 CCOC(=O)C=Cc1ccnc(c1Cl)C 271570a_100010199719_100000698670 [0,2,0,0,0,0|1,0,0]=3 4755 B15R1.27 CCOC(=O)C=Cc1ccnc(c1Cl)Cl 271570a_100010199719_100010246212 [0,2,0,0,0,0|1,0,0]=3 4756 B15R1.27 CCOC(=O)C=Cc1ccnc(c1Cl)F 271570a_100010199719_100010067886 [0,2,0,0,0,0|1,0,0]=3 4757 B15R1.27 CCOC(=O)C=Cc1ccnc(c1Cl)N 271570a_100010199719_100010735111 [0,2,0,0,0,0|1,0,0]=3 4758 B15R1.27 CCOC(=O)C=Cc1ccnc(c1F)Br 271570a_100010199719_200015269031 [0,2,0,0,0,0|1,0,0]=3 4759 B15R1.27 CCOC(=O)C=Cc1ccnc(c1F)C 271570a_100010199719_100009849794 [0,2,0,0,0,0|1,0,0]=3 4760 B15R1.27 CCOC(=O)C=Cc1ccnc(c1F)Cl 271570a_100010199719_100010150473 [0,2,0,0,0,0|1,0,0]=3 4761 B15R1.27 CCOC(=O)C=Cc1ccnc(c1F)F 271570a_100010199719_100010214882 [0,2,0,0,0,0|1,0,0]=3 4762 B15R1.27 CCOC(=O)C=Cc1ccnc(c1F)N 271570a_100010199719_100010077785 [0,2,0,0,0,0|1,0,0]=3 4763 B15R1.27 CCOC(=O)C=Cc1ccnc(c1N)C 271570a_100010199719_100009885578 [0,2,0,0,0,0|1,0,0]=3 4764 B15R1.27 CCOC(=O)C=Cc1ccnc(c1N)N 271570a_100010199719_100000124095 [0,2,0,0,0,0|1,0,0]=3 4765 B15R1.27 CCOC(=O)C=Cc1cn[nH]c(=O)c1N 271570a_100010199719_100000126857 [0,2,0,0,0,0|2,0,0]=4 4766 B15R1.27 CCOC(=O)C=Cc1cncc(c1C)Br 271570a_100010199719_100010109657 [0,2,0,0,0,0|1,0,0]=3 4767 B15R1.27 CCOC(=O)C=Cc1cncc(c1C)C 271570a_100010199719_100009864703 [0,2,0,0,0,0|1,0,0]=3 4768 B15R1.27 CCOC(=O)C=Cc1cncc(c1C)F 271570a_100010199719_100009881546 [0,2,0,0,0,0|1,0,0]=3 4769 B15R1.27 CCOC(=O)C=Cc1cncc(c1C)N 271570a_100010199719_100011998293 [0,2,0,0,0,0|1,0,0]=3 4770 B15R1.27 CCOC(=O)C=Cc1cncc(c1N)Br 271570a_100010199719_100011290786 [0,2,0,0,0,0|1,0,0]=3 4771 B15R1.27 CCOC(=O)C=Cc1cncc(c1N)C 271570a_100010199719_100009818025 [0,2,0,0,0,0|1,0,0]=3 4772 B15R1.27 CCOC(=O)C=Cc1cncc(c1N)Cl 271570a_100010199719_100000684942 [0,2,0,0,0,0|1,0,0]=3 4773 B15R1.27 CCOC(=O)C=Cc1cncc(c1N)F 271570a_100010199719_100009880649 [0,2,0,0,0,0|1,0,0]=3 4774 B15R1.27 CCOC(=O)C=Cc1cncc(c1N)N 271570a_100010199719_100000694774 [0,2,0,0,0,0|1,0,0]=3 4775 B15R1.27 CCOC(=O)C=Cc1cnnc(c1C)N 271570a_100010199719_200011012967 [0,2,0,0,0,0|2,0,0]=4 4776 B15R1.27 CCOC(=O)C=Cc1nccc(c1C)C 271570a_100010199719_100009847204 [0,2,0,0,0,0|1,0,0]=3 4777 B15R1.27 CCOC(=O)C=Cc1nccc(c1C)F 271570a_100010199719_100009846374 [0,2,0,0,0,0|1,0,0]=3 4778 B15R1.27 CCOC(=O)C=Cc1nccc(c1C)N 271570a_100010199719_100009980296 [0,2,0,0,0,0|1,0,0]=3 4779 B15R1.27 CCOC(=O)C=Cc1nccc(c1F)C 271570a_100010199719_100009817629 [0,2,0,0,0,0|1,0,0]=3 4780 B15R1.27 CCOC(=O)C=Cc1nccc(c1F)N 271570a_100010199719_100015205195 [0,2,0,0,0,0|1,0,0]=3 4781 B15R1.27 CCOC(=O)C=Cc1nccc(c1F)O 271570a_100010199719_100009876375 [0,2,0,0,0,0|1,0,0]=3 4782 B15R1.27 CCOC(=O)C=Cc1nccc(c1N)C 271570a_100010199719_100000763560 [0,2,0,0,0,0|1,0,0]=3 4783 B15R1.27 CCOC(=O)C=Cc1nccc(c1N)N 271570a_100010199719_100000085203 [0,2,0,0,0,0|1,0,0]=3 4784 B15R1.27 CCOC(=O)C=Cc1nccc(c1N)O 271570a_100010199719_100000128729 [0,2,0,0,0,0|1,0,0]=3 4785 B15R1.27 CCOC(=O)C=Cc1nccc(c1O)C 271570a_100010199719_100000696282 [0,2,0,0,0,0|1,0,0]=3 4786 B15R1.27 CCOC(=O)C=Cc1nccc(c1O)F 271570a_100010199719_100009867227 [0,2,0,0,0,0|1,0,0]=3 4787 B15R1.27 CCOC(=O)C=Cc1ncnc(c1C)C 271570a_100010199719_100011438038 [0,2,0,0,0,0|2,0,0]=4 4788 B15R1.27 CCOC(=O)C=Cc1ncnc(c1C)N 271570a_100010199719_100011913465 [0,2,0,0,0,0|2,0,0]=4 4789 B15R1.27 CCOC(=O)C=Cc1ncnc(c1C)O 271570a_100010199719_100011912821 [0,2,0,0,0,0|2,0,0]=4 4790 B15R1.27 CCOC(=O)C=Cc1ncnc(c1F)C 271570a_100010199719_100011671633 [0,2,0,0,0,0|2,0,0]=4 4791 B15R1.27 CCOC(=O)C=Cc1ncnc(c1F)N 271570a_100010199719_100000126652 [0,2,0,0,0,0|2,0,0]=4 4792 B15R1.27 CCOC(=O)C=Cc1ncnc(c1N)N 271570a_100010199719_100000766367 [0,2,0,0,0,0|2,0,0]=4 4793 B15R1.27 CCOC(=O)C=Cc1ncnc(c1N)O 271570a_100010199719_100011795086 [0,2,0,0,0,0|2,0,0]=4 4794 B15R1.27 CCOC(=O)C=Cc1nncc(c1C)N 271570a_100010199719_200011012966 [0,2,0,0,0,0|2,0,0]=4 4795 B15R1.27 CCOC(=O)CNc1cccc(c1Br)C 34a_100000684715_100000188475 [0,2,0,0,0,0|1,0,1]=4 4796 B15R1.27 CCOC(=O)CNc1cccc(c1Br)Cl 34a_100000687072_100000188475 [0,2,0,0,0,0|1,0,1]=4 4797 B15R1.27 CCOC(=O)CNc1cccc(c1Br)F 34a_100011934729_100000188475 [0,2,0,0,0,0|1,0,1]=4 4798 B15R1.27 CCOC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000188475 [0,2,0,0,0,0|1,0,1]=4 4799 B15R1.27 CCOC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000188475 [0,2,0,0,0,0|1,0,1]=4 4800 B15R1.27 CCOC(=O)CNc1cccc(c1C)Br 34a_100000750434_100000188475 [0,2,0,0,0,0|1,0,1]=4 4801 B15R1.27 CCOC(=O)CNc1cccc(c1C)C 2230a_100000210026_100000188475 [0,2,0,0,0,0|1,0,1]=4 4802 B15R1.27 CCOC(=O)CNc1cccc(c1C)C 34a_100000210026_100000188475 [0,2,0,0,0,0|1,0,1]=4 4803 B15R1.27 CCOC(=O)CNc1cccc(c1C)C 7a_100000210026_100000188475 [0,2,0,0,0,0|1,0,1]=4 4804 B15R1.27 CCOC(=O)CNc1cccc(c1C)Cl 2230a_100000210441_100000188475 [0,2,0,0,0,0|1,0,1]=4 4805 B15R1.27 CCOC(=O)CNc1cccc(c1C)Cl 34a_100000210441_100000188475 [0,2,0,0,0,0|1,0,1]=4 4806 B15R1.27 CCOC(=O)CNc1cccc(c1C)Cl 7a_100000210441_100000188475 [0,2,0,0,0,0|1,0,1]=4 4807 B15R1.27 CCOC(=O)CNc1cccc(c1C)F 34a_100000745574_100000188475 [0,2,0,0,0,0|1,0,1]=4 4808 B15R1.27 CCOC(=O)CNc1cccc(c1C)F 7a_100000745574_100000188475 [0,2,0,0,0,0|1,0,1]=4 4809 B15R1.27 CCOC(=O)CNc1cccc(c1C)I 34a_100000761887_100000188475 [0,2,0,0,0,0|1,0,1]=4 4810 B15R1.27 CCOC(=O)CNc1cccc(c1C)O 34a_100011216573_100000188475 [0,2,0,0,0,0|1,0,1]=4 4811 B15R1.27 CCOC(=O)CNc1cccc(c1C)O 7a_100011216573_100000188475 [0,2,0,0,0,0|1,0,1]=4 4812 B15R1.27 CCOC(=O)CNc1cccc(c1Cl)Br 34a_100000687075_100000188475 [0,2,0,0,0,0|1,0,1]=4 4813 B15R1.27 CCOC(=O)CNc1cccc(c1Cl)C 34a_100000765562_100000188475 [0,2,0,0,0,0|1,0,1]=4 4814 B15R1.27 CCOC(=O)CNc1cccc(c1Cl)C 7a_100000765562_100000188475 [0,2,0,0,0,0|1,0,1]=4 4815 B15R1.27 CCOC(=O)CNc1cccc(c1Cl)Cl 34a_100000185733_100000188475 [0,2,0,0,0,0|1,0,1]=4 4816 B15R1.27 CCOC(=O)CNc1cccc(c1Cl)F 34a_100000692321_100000188475 [0,2,0,0,0,0|1,0,1]=4 4817 B15R1.27 CCOC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000188475 [0,2,0,0,0,0|1,0,1]=4 4818 B15R1.27 CCOC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000188475 [0,2,0,0,0,0|1,0,1]=4 4819 B15R1.27 CCOC(=O)CNc1cccc(c1F)Br 2230a_100011935091_100000188475 [0,2,0,0,0,0|1,0,1]=4 4820 B15R1.27 CCOC(=O)CNc1cccc(c1F)Br 34a_100011935091_100000188475 [0,2,0,0,0,0|1,0,1]=4 4821 B15R1.27 CCOC(=O)CNc1cccc(c1F)C 2230a_100000697159_100000188475 [0,2,0,0,0,0|1,0,1]=4 4822 B15R1.27 CCOC(=O)CNc1cccc(c1F)C 34a_100000697159_100000188475 [0,2,0,0,0,0|1,0,1]=4 4823 B15R1.27 CCOC(=O)CNc1cccc(c1F)C 7a_100000697159_100000188475 [0,2,0,0,0,0|1,0,1]=4 4824 B15R1.27 CCOC(=O)CNc1cccc(c1F)Cl 2230a_100000199060_100000188475 [0,2,0,0,0,0|1,0,1]=4 4825 B15R1.27 CCOC(=O)CNc1cccc(c1F)Cl 34a_100000199060_100000188475 [0,2,0,0,0,0|1,0,1]=4 4826 B15R1.27 CCOC(=O)CNc1cccc(c1F)F 34a_100000743855_100000188475 [0,2,0,0,0,0|1,0,1]=4 4827 B15R1.27 CCOC(=O)CNc1cccc(c1I)Br 34a_100020590159_100000188475 [0,2,0,0,0,0|1,0,1]=4 4828 B15R1.27 CCOC(=O)CNc1cccc(c1I)C 34a_100000761888_100000188475 [0,2,0,0,0,0|1,0,1]=4 4829 B15R1.27 CCOC(=O)CNc1cccc(c1I)Cl 34a_100000049713_100000188475 [0,2,0,0,0,0|1,0,1]=4 4830 B15R1.27 CCOC(=O)CNc1cccc(c1I)F 34a_100000690935_100000188475 [0,2,0,0,0,0|1,0,1]=4 4831 B15R1.27 CCOC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000188475 [0,2,0,0,0,0|1,0,1]=4 4832 B15R1.27 CCOC(=O)CNc1cccc(c1O)C 34a_100000756359_100000188475 [0,2,0,0,0,0|1,0,1]=4 4833 B15R1.27 CCOC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000188475 [0,2,0,0,0,0|1,0,1]=4 4834 B15R1.27 CCOC(=O)CNc1cccc(c1O)F 34a_100011934987_100000188475 [0,2,0,0,0,0|1,0,1]=4 4835 B15R1.27 CCOC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000188475 [0,2,0,0,0,0|1,0,1]=4 4836 B15R1.27 CCOC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000188475 [0,2,0,0,0,0|1,0,1]=4 4837 B15R1.27 CCOC(=O)COc1cccc(c1Br)C 34a_100000686692_100000188475 [0,2,0,0,0,0|1,0,1]=4 4838 B15R1.27 CCOC(=O)COc1cccc(c1Br)C 7a_100000686692_100000188475 [0,2,0,0,0,0|1,0,1]=4 4839 B15R1.27 CCOC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000188475 [0,2,0,0,0,0|1,0,1]=4 4840 B15R1.27 CCOC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000188475 [0,2,0,0,0,0|1,0,1]=4 4841 B15R1.27 CCOC(=O)COc1cccc(c1Br)F 34a_100009820682_100000188475 [0,2,0,0,0,0|1,0,1]=4 4842 B15R1.27 CCOC(=O)COc1cccc(c1Br)F 7a_100009820682_100000188475 [0,2,0,0,0,0|1,0,1]=4 4843 B15R1.27 CCOC(=O)COc1cccc(c1Br)I 34a_100010187914_100000188475 [0,2,0,0,0,0|1,0,1]=4 4844 B15R1.27 CCOC(=O)COc1cccc(c1Br)I 7a_100010187914_100000188475 [0,2,0,0,0,0|1,0,1]=4 4845 B15R1.27 CCOC(=O)COc1cccc(c1Br)N 34a_100012183704_100000188475 [0,2,0,0,0,0|1,0,1]=4 4846 B15R1.27 CCOC(=O)COc1cccc(c1Br)N 7a_100012183704_100000188475 [0,2,0,0,0,0|1,0,1]=4 4847 B15R1.27 CCOC(=O)COc1cccc(c1C)Br 34a_100012002258_100000188475 [0,2,0,0,0,0|1,0,1]=4 4848 B15R1.27 CCOC(=O)COc1cccc(c1C)Br 7a_100012002258_100000188475 [0,2,0,0,0,0|1,0,1]=4 4849 B15R1.27 CCOC(=O)COc1cccc(c1C)C 34a_100000185855_100000188475 [0,2,0,0,0,0|1,0,1]=4 4850 B15R1.27 CCOC(=O)COc1cccc(c1C)C 7a_100000185855_100000188475 [0,2,0,0,0,0|1,0,1]=4 4851 B15R1.27 CCOC(=O)COc1cccc(c1C)Cl 34a_100011265684_100000188475 [0,2,0,0,0,0|1,0,1]=4 4852 B15R1.27 CCOC(=O)COc1cccc(c1C)Cl 7a_100011265684_100000188475 [0,2,0,0,0,0|1,0,1]=4 4853 B15R1.27 CCOC(=O)COc1cccc(c1C)F 34a_100011217231_100000188475 [0,2,0,0,0,0|1,0,1]=4 4854 B15R1.27 CCOC(=O)COc1cccc(c1C)F 7a_100011217231_100000188475 [0,2,0,0,0,0|1,0,1]=4 4855 B15R1.27 CCOC(=O)COc1cccc(c1C)N 34a_100011216573_100000188475 [0,2,0,0,0,0|1,0,1]=4 4856 B15R1.27 CCOC(=O)COc1cccc(c1C)N 7a_100011216573_100000188475 [0,2,0,0,0,0|1,0,1]=4 4857 B15R1.27 CCOC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000188475 [0,2,0,0,0,0|1,0,1]=4 4858 B15R1.27 CCOC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000188475 [0,2,0,0,0,0|1,0,1]=4 4859 B15R1.27 CCOC(=O)COc1cccc(c1Cl)C 34a_100000695629_100000188475 [0,2,0,0,0,0|1,0,1]=4 4860 B15R1.27 CCOC(=O)COc1cccc(c1Cl)C 7a_100000695629_100000188475 [0,2,0,0,0,0|1,0,1]=4 4861 B15R1.27 CCOC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000188475 [0,2,0,0,0,0|1,0,1]=4 4862 B15R1.27 CCOC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000188475 [0,2,0,0,0,0|1,0,1]=4 4863 B15R1.27 CCOC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000188475 [0,2,0,0,0,0|1,0,1]=4 4864 B15R1.27 CCOC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000188475 [0,2,0,0,0,0|1,0,1]=4 4865 B15R1.27 CCOC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000188475 [0,2,0,0,0,0|1,0,1]=4 4866 B15R1.27 CCOC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000188475 [0,2,0,0,0,0|1,0,1]=4 4867 B15R1.27 CCOC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000188475 [0,2,0,0,0,0|1,0,1]=4 4868 B15R1.27 CCOC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000188475 [0,2,0,0,0,0|1,0,1]=4 4869 B15R1.27 CCOC(=O)COc1cccc(c1F)Br 34a_100009817021_100000188475 [0,2,0,0,0,0|1,0,1]=4 4870 B15R1.27 CCOC(=O)COc1cccc(c1F)Br 7a_100009817021_100000188475 [0,2,0,0,0,0|1,0,1]=4 4871 B15R1.27 CCOC(=O)COc1cccc(c1F)C 34a_100000751311_100000188475 [0,2,0,0,0,0|1,0,1]=4 4872 B15R1.27 CCOC(=O)COc1cccc(c1F)C 7a_100000751311_100000188475 [0,2,0,0,0,0|1,0,1]=4 4873 B15R1.27 CCOC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000188475 [0,2,0,0,0,0|1,0,1]=4 4874 B15R1.27 CCOC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000188475 [0,2,0,0,0,0|1,0,1]=4 4875 B15R1.27 CCOC(=O)COc1cccc(c1F)F 34a_100000751161_100000188475 [0,2,0,0,0,0|1,0,1]=4 4876 B15R1.27 CCOC(=O)COc1cccc(c1F)F 7a_100000751161_100000188475 [0,2,0,0,0,0|1,0,1]=4 4877 B15R1.27 CCOC(=O)COc1cccc(c1I)Br 34a_100010187912_100000188475 [0,2,0,0,0,0|1,0,1]=4 4878 B15R1.27 CCOC(=O)COc1cccc(c1I)Br 7a_100010187912_100000188475 [0,2,0,0,0,0|1,0,1]=4 4879 B15R1.27 CCOC(=O)COc1cccc(c1I)C 34a_100010083724_100000188475 [0,2,0,0,0,0|1,0,1]=4 4880 B15R1.27 CCOC(=O)COc1cccc(c1I)C 7a_100010083724_100000188475 [0,2,0,0,0,0|1,0,1]=4 4881 B15R1.27 CCOC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000188475 [0,2,0,0,0,0|1,0,1]=4 4882 B15R1.27 CCOC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000188475 [0,2,0,0,0,0|1,0,1]=4 4883 B15R1.27 CCOC(=O)COc1cccc(c1I)F 34a_100000690913_100000188475 [0,2,0,0,0,0|1,0,1]=4 4884 B15R1.27 CCOC(=O)COc1cccc(c1I)F 7a_100000690913_100000188475 [0,2,0,0,0,0|1,0,1]=4 4885 B15R1.27 CCOC(=O)COc1cccc(c1N)Br 34a_100011934926_100000188475 [0,2,0,0,0,0|1,0,1]=4 4886 B15R1.27 CCOC(=O)COc1cccc(c1N)Br 7a_100011934926_100000188475 [0,2,0,0,0,0|1,0,1]=4 4887 B15R1.27 CCOC(=O)COc1cccc(c1N)C 34a_100000743429_100000188475 [0,2,0,0,0,0|1,0,1]=4 4888 B15R1.27 CCOC(=O)COc1cccc(c1N)C 7a_100000743429_100000188475 [0,2,0,0,0,0|1,0,1]=4 4889 B15R1.27 CCOC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000188475 [0,2,0,0,0,0|1,0,1]=4 4890 B15R1.27 CCOC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000188475 [0,2,0,0,0,0|1,0,1]=4 4891 B15R1.27 CCOC(=O)COc1cccc(c1N)F 34a_100020591140_100000188475 [0,2,0,0,0,0|1,0,1]=4 4892 B15R1.27 CCOC(=O)COc1cccc(c1N)F 7a_100020591140_100000188475 [0,2,0,0,0,0|1,0,1]=4 4893 B15R1.27 CCOC(=O)COc1cccc(c1N)I 34a_200000049512_100000188475 [0,2,0,0,0,0|1,0,1]=4 4894 B15R1.27 CCOC(=O)COc1cccc(c1N)I 7a_200000049512_100000188475 [0,2,0,0,0,0|1,0,1]=4 4895 B15R1.27 CCOC(=O)COc1cccc(c1N)N 34a_100000033209_100000188475 [0,2,0,0,0,0|1,0,1]=4 4896 B15R1.27 CCOC(=O)CSc1cccc(c1Br)Br 62a_100000188475_100010175083 [0,2,0,0,0,0|1,0,1]=4 4897 B15R1.27 CCOC(=O)CSc1cccc(c1Br)Br 62a_100010175083_100000188475 [0,2,0,0,0,0|1,0,1]=4 4898 B15R1.27 CCOC(=O)CSc1cccc(c1Br)C 62a_100000188475_100012362457 [0,2,0,0,0,0|1,0,1]=4 4899 B15R1.27 CCOC(=O)CSc1cccc(c1Br)C 62a_100012362457_100000188475 [0,2,0,0,0,0|1,0,1]=4 4900 B15R1.27 CCOC(=O)CSc1cccc(c1Br)Cl 62a_100000188475_100014021842 [0,2,0,0,0,0|1,0,1]=4 4901 B15R1.27 CCOC(=O)CSc1cccc(c1Br)Cl 62a_100014021842_100000188475 [0,2,0,0,0,0|1,0,1]=4 4902 B15R1.27 CCOC(=O)CSc1cccc(c1Br)F 62a_100000188475_100010202630 [0,2,0,0,0,0|1,0,1]=4 4903 B15R1.27 CCOC(=O)CSc1cccc(c1Br)F 62a_100010202630_100000188475 [0,2,0,0,0,0|1,0,1]=4 4904 B15R1.27 CCOC(=O)CSc1cccc(c1Br)O 62a_100000188475_100010187914 [0,2,0,0,0,0|1,0,1]=4 4905 B15R1.27 CCOC(=O)CSc1cccc(c1Br)O 62a_100010187914_100000188475 [0,2,0,0,0,0|1,0,1]=4 4906 B15R1.27 CCOC(=O)CSc1cccc(c1C)Br 62a_100000188475_100012353703 [0,2,0,0,0,0|1,0,1]=4 4907 B15R1.27 CCOC(=O)CSc1cccc(c1C)Br 62a_100012353703_100000188475 [0,2,0,0,0,0|1,0,1]=4 4908 B15R1.27 CCOC(=O)CSc1cccc(c1C)C 62a_100000188475_100011214922 [0,2,0,0,0,0|1,0,1]=4 4909 B15R1.27 CCOC(=O)CSc1cccc(c1C)C 62a_100011214922_100000188475 [0,2,0,0,0,0|1,0,1]=4 4910 B15R1.27 CCOC(=O)CSc1cccc(c1C)Cl 62a_100000188475_100000726075 [0,2,0,0,0,0|1,0,1]=4 4911 B15R1.27 CCOC(=O)CSc1cccc(c1C)Cl 62a_100000726075_100000188475 [0,2,0,0,0,0|1,0,1]=4 4912 B15R1.27 CCOC(=O)CSc1cccc(c1C)F 62a_100000188475_100011216893 [0,2,0,0,0,0|1,0,1]=4 4913 B15R1.27 CCOC(=O)CSc1cccc(c1C)F 62a_100011216893_100000188475 [0,2,0,0,0,0|1,0,1]=4 4914 B15R1.27 CCOC(=O)CSc1cccc(c1C)N 62a_100000188475_100000761887 [0,2,0,0,0,0|1,0,1]=4 4915 B15R1.27 CCOC(=O)CSc1cccc(c1C)N 62a_100000761887_100000188475 [0,2,0,0,0,0|1,0,1]=4 4916 B15R1.27 CCOC(=O)CSc1cccc(c1C)O 62a_100000188475_100012002258 [0,2,0,0,0,0|1,0,1]=4 4917 B15R1.27 CCOC(=O)CSc1cccc(c1C)O 62a_100012002258_100000188475 [0,2,0,0,0,0|1,0,1]=4 4918 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)Br 62a_100000188475_100010142854 [0,2,0,0,0,0|1,0,1]=4 4919 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)Br 62a_100010142854_100000188475 [0,2,0,0,0,0|1,0,1]=4 4920 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)C 62a_100000188475_200012352035 [0,2,0,0,0,0|1,0,1]=4 4921 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)C 62a_200012352035_100000188475 [0,2,0,0,0,0|1,0,1]=4 4922 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)Cl 62a_100000188475_100011215384 [0,2,0,0,0,0|1,0,1]=4 4923 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)Cl 62a_100011215384_100000188475 [0,2,0,0,0,0|1,0,1]=4 4924 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)F 62a_100000188475_200010234923 [0,2,0,0,0,0|1,0,1]=4 4925 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)F 62a_200010234923_100000188475 [0,2,0,0,0,0|1,0,1]=4 4926 B15R1.27 CCOC(=O)CSc1cccc(c1Cl)O 62a_100000188475_100000049636 [0,2,0,0,0,0|1,0,1]=4 4927 B15R1.27 CCOC(=O)CSc1cccc(c1F)Br 62a_100000188475_100000702267 [0,2,0,0,0,0|1,0,1]=4 4928 B15R1.27 CCOC(=O)CSc1cccc(c1F)Br 62a_100000702267_100000188475 [0,2,0,0,0,0|1,0,1]=4 4929 B15R1.27 CCOC(=O)CSc1cccc(c1F)C 62a_100000188475_100000717567 [0,2,0,0,0,0|1,0,1]=4 4930 B15R1.27 CCOC(=O)CSc1cccc(c1F)C 62a_100000717567_100000188475 [0,2,0,0,0,0|1,0,1]=4 4931 B15R1.27 CCOC(=O)CSc1cccc(c1F)Cl 62a_100000188475_100011217346 [0,2,0,0,0,0|1,0,1]=4 4932 B15R1.27 CCOC(=O)CSc1cccc(c1F)Cl 62a_100011217346_100000188475 [0,2,0,0,0,0|1,0,1]=4 4933 B15R1.27 CCOC(=O)CSc1cccc(c1F)F 62a_100000188475_100000694657 [0,2,0,0,0,0|1,0,1]=4 4934 B15R1.27 CCOC(=O)CSc1cccc(c1F)F 62a_100000694657_100000188475 [0,2,0,0,0,0|1,0,1]=4 4935 B15R1.27 CCOC(=O)CSc1cccc(c1F)N 62a_100000188475_100011935091 [0,2,0,0,0,0|1,0,1]=4 4936 B15R1.27 CCOC(=O)CSc1cccc(c1F)N 62a_100011935091_100000188475 [0,2,0,0,0,0|1,0,1]=4 4937 B15R1.27 CCOC(=O)CSc1cccc(c1F)O 62a_100000188475_100009817021 [0,2,0,0,0,0|1,0,1]=4 4938 B15R1.27 CCOC(=O)CSc1cccc(c1F)O 62a_100009817021_100000188475 [0,2,0,0,0,0|1,0,1]=4 4939 B15R1.27 CCOC(=O)CSc1cccc(c1N)Br 62a_100000188475_100010146558 [0,2,0,0,0,0|1,0,1]=4 4940 B15R1.27 CCOC(=O)CSc1cccc(c1N)Br 62a_100010146558_100000188475 [0,2,0,0,0,0|1,0,1]=4 4941 B15R1.27 CCOC(=O)CSc1cccc(c1N)C 62a_100000188475_100011834072 [0,2,0,0,0,0|1,0,1]=4 4942 B15R1.27 CCOC(=O)CSc1cccc(c1N)C 62a_100011834072_100000188475 [0,2,0,0,0,0|1,0,1]=4 4943 B15R1.27 CCOC(=O)CSc1cccc(c1N)Cl 62a_100000188475_100010190421 [0,2,0,0,0,0|1,0,1]=4 4944 B15R1.27 CCOC(=O)CSc1cccc(c1N)Cl 62a_100010190421_100000188475 [0,2,0,0,0,0|1,0,1]=4 4945 B15R1.27 CCOC(=O)CSc1cccc(c1N)F 62a_100000042321_100000188475 [0,2,0,0,0,0|1,0,1]=4 4946 B15R1.27 CCOC(=O)CSc1cccc(c1N)F 62a_100000188475_100000042321 [0,2,0,0,0,0|1,0,1]=4 4947 B15R1.27 CCOC(=O)CSc1cccc(c1N)N 62a_100015191791_100000188475 [0,2,0,0,0,0|1,0,1]=4 4948 B15R1.27 CCOC(=O)CSc1cccc(c1N)O 62a_100000188475_100011934926 [0,2,0,0,0,0|1,0,1]=4 4949 B15R1.27 CCOC(=O)CSc1cccc(c1O)Br 62a_100000188475_100010084509 [0,2,0,0,0,0|1,0,1]=4 4950 B15R1.27 CCOC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000188475 [0,2,0,0,0,0|1,0,1]=4 4951 B15R1.27 CCOC(=O)CSc1cccc(c1O)C 62a_100000188475_100009817157 [0,2,0,0,0,0|1,0,1]=4 4952 B15R1.27 CCOC(=O)CSc1cccc(c1O)C 62a_100009817157_100000188475 [0,2,0,0,0,0|1,0,1]=4 4953 B15R1.27 CCOC(=O)CSc1cccc(c1O)Cl 62a_100000188475_100010202889 [0,2,0,0,0,0|1,0,1]=4 4954 B15R1.27 CCOC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000188475 [0,2,0,0,0,0|1,0,1]=4 4955 B15R1.27 CCOC(=O)CSc1cccc(c1O)F 62a_100000188475_100009813666 [0,2,0,0,0,0|1,0,1]=4 4956 B15R1.27 CCOC(=O)CSc1cccc(c1O)F 62a_100009813666_100000188475 [0,2,0,0,0,0|1,0,1]=4 4957 B15R1.27 CCOC(=O)CSc1cccc(c1O)N 62a_100000188475_100010084371 [0,2,0,0,0,0|1,0,1]=4 4958 B15R1.27 CCOC(=O)CSc1cccc(c1O)N 62a_100011934915_100000188475 [0,2,0,0,0,0|1,0,1]=4 4959 B15R1.27 CCOC(=O)CSc1cccc(c1O)O 62a_100000188475_100009815950 [0,2,0,0,0,0|1,0,1]=4 4960 B15R1.27 CNNC(=O)C=Cc1cccc(c1C)F 22a_100016993582_100102526135 [0,2,0,0,0,0|2,0,0]=4 4961 B15R1.27 CNNC(=O)C=Cc1cccc(c1Cl)Cl 22a_100016993582_100000184505 [0,2,0,0,0,0|2,0,0]=4 4962 B15R1.27 CNNC(=O)C=Cc1cccc(c1F)Br 22a_100016993582_100012351547 [0,2,0,0,0,0|2,0,0]=4 4963 B15R1.27 CNNC(=O)C=Cc1cccc(c1F)Cl 22a_100016993582_100011217667 [0,2,0,0,0,0|2,0,0]=4 4964 B15R1.27 CNNC(=O)C=Cc1cccc(c1F)F 22a_100016993582_100102526107 [0,2,0,0,0,0|2,0,0]=4 4965 B15R1.27 COCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100000211753 [0,2,0,0,0,0|2,0,0]=4 4966 B15R1.27 COCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100000211753 [0,2,0,0,0,0|2,0,0]=4 4967 B15R1.27 COCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100000211753 [0,2,0,0,0,0|2,0,0]=4 4968 B15R1.27 CSCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100011216314 [0,2,0,0,0,0|2,0,0]=4 4969 B15R1.27 CSCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100011216314 [0,2,0,0,0,0|2,0,0]=4 4970 B15R1.27 CSCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100011216314 [0,2,0,0,0,0|2,0,0]=4 4971 B15R1.27 Cc1c(cccc1C=CC(=O)CCF)F 1458a_100102526135_100011217306 [0,2,0,0,0,0|2,0,0]=4 4972 B15R1.27 Cc1c(cccc1C=CC(=O)CCO)F 1458a_100102526135_100000211926 [0,2,0,0,0,0|2,0,0]=4 4973 B15R1.27 O=C(C=Cc1cccc(c1Cl)Cl)CCF 1458a_100000184505_100011217306 [0,2,0,0,0,0|2,0,0]=4 4974 B15R1.27 O=C(C=Cc1cccc(c1Cl)Cl)CCO 1458a_100000184505_100000211926 [0,2,0,0,0,0|2,0,0]=4 4975 B15R1.27 O=C(C=Cc1cccc(c1F)Br)CCF 1458a_100012351547_100011217306 [0,2,0,0,0,0|2,0,0]=4 4976 B15R1.27 O=C(C=Cc1cccc(c1F)Br)CCO 1458a_100012351547_100000211926 [0,2,0,0,0,0|2,0,0]=4 4977 B15R1.27 O=C(C=Cc1cccc(c1F)Cl)CCF 1458a_100011217667_100011217306 [0,2,0,0,0,0|2,0,0]=4 4978 B15R1.27 O=C(C=Cc1cccc(c1F)Cl)CCO 1458a_100011217667_100000211926 [0,2,0,0,0,0|2,0,0]=4 4979 B15R1.27 O=C(C=Cc1cccc(c1F)F)CCBr 6a_100000753312_100011261029 [0,2,0,0,0,0|2,0,0]=4 4980 B15R1.27 O=C(C=Cc1cccc(c1F)F)CCCl 6a_100000753312_100000053229 [0,2,0,0,0,0|2,0,0]=4 4981 B15R1.27 O=C(C=Cc1cccc(c1F)F)CCF 1458a_100102526107_100011217306 [0,2,0,0,0,0|2,0,0]=4 4982 B15R1.27 O=C(C=Cc1cccc(c1F)F)CCO 1458a_100102526107_100000211926 [0,2,0,0,0,0|2,0,0]=4 4983 B15R1.27 O=C(C=Cc1cccc(c1F)I)CCBr 6a_100010202174_100011261029 [0,2,0,0,0,0|2,0,0]=4 4984 B15R1.27 O=C(C=Cc1cccc(c1F)I)CCCl 6a_100010202174_100000053229 [0,2,0,0,0,0|2,0,0]=4 4985 B15R1.27 O=C(C=Cc1cccc(c1I)F)CCBr 6a_100010186293_100011261029 [0,2,0,0,0,0|2,0,0]=4 4986 B15R1.27 O=C(C=Cc1cccc(c1I)F)CCCl 6a_100010186293_100000053229 [0,2,0,0,0,0|2,0,0]=4 4987 B15R1.49 CCCC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100000210303 [0,2,0,0,0,0|2,0,0]=4 4988 B15R1.49 CCCC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_100000210303 [0,2,0,0,0,0|2,0,0]=4 4989 B15R1.49 CCNC(=O)C(=O)Cc1cccc(c1)Br 1458a_200011297158_100000211773 [0,2,0,0,0,0|1,0,1]=4 4990 B15R1.49 CCNC(=O)C(=O)Cc1cccc(c1)C 1458a_200011297158_100000211840 [0,2,0,0,0,0|1,0,1]=4 4991 B15R1.49 CCNC(=O)C(=O)Cc1cccc(c1)Cl 1458a_200011297158_100000181238 [0,2,0,0,0,0|1,0,1]=4 4992 B15R1.49 CCNC(=O)C(=O)Cc1cccc(c1)F 1458a_200011297158_100000230114 [0,2,0,0,0,0|1,0,1]=4 4993 B15R1.49 CCNC(=O)C(=O)Cc1cccc(c1)I 1458a_200011297158_100011218688 [0,2,0,0,0,0|1,0,1]=4 4994 B15R1.49 CCNC(=O)C(=O)Cc1cccc(c1)O 1458a_200011297158_100011660834 [0,2,0,0,0,0|1,0,1]=4 4995 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_200011297158 [0,2,0,0,0,0|2,0,0]=4 4996 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_200011297158 [0,2,0,0,0,0|2,0,0]=4 4997 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)Br 527a_100000210019_200011297158 [0,2,0,0,0,0|2,0,0]=4 4998 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)C 1626a_100000188690_200011297158 [0,2,0,0,0,0|2,0,0]=4 4999 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)C 22a_100000188690_200011297158 [0,2,0,0,0,0|2,0,0]=4 5000 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)C 527a_100000188690_200011297158 [0,2,0,0,0,0|2,0,0]=4 5001 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_200011297158 [0,2,0,0,0,0|2,0,0]=4 5002 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_200011297158 [0,2,0,0,0,0|2,0,0]=4 5003 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100015525214_200011297299 [0,2,0,0,0,0|2,0,0]=4 5004 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_200011297158 [0,2,0,0,0,0|2,0,0]=4 5005 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_200011297158 [0,2,0,0,0,0|2,0,0]=4 5006 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)F 240690a_100015525214_200011297300 [0,2,0,0,0,0|2,0,0]=4 5007 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)F 527a_100000210047_200011297158 [0,2,0,0,0,0|2,0,0]=4 5008 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_200011297158 [0,2,0,0,0,0|2,0,0]=4 5009 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_200011297158 [0,2,0,0,0,0|2,0,0]=4 5010 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)I 527a_100000211102_200011297158 [0,2,0,0,0,0|2,0,0]=4 5011 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_200011297158 [0,2,0,0,0,0|2,0,0]=4 5012 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_200011297158 [0,2,0,0,0,0|2,0,0]=4 5013 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_200011297158 [0,2,0,0,0,0|2,0,0]=4 5014 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)Br 11a_100000210019_100014798877 [0,2,0,0,0,0|1,0,0]=3 5015 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100014798877 [0,2,0,0,0,0|1,0,0]=3 5016 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)C 11a_100000188690_100014798877 [0,2,0,0,0,0|1,0,0]=3 5017 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)C 1626a_100000188690_100014798877 [0,2,0,0,0,0|1,0,0]=3 5018 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100014798877 [0,2,0,0,0,0|1,0,0]=3 5019 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100014798877 [0,2,0,0,0,0|1,0,0]=3 5020 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)F 11a_100000210047_100014798877 [0,2,0,0,0,0|1,0,0]=3 5021 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_100014798877 [0,2,0,0,0,0|1,0,0]=3 5022 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)I 11a_100000211102_100014798877 [0,2,0,0,0,0|1,0,0]=3 5023 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_100014798877 [0,2,0,0,0,0|1,0,0]=3 5024 B15R1.49 CCOC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_100014798877 [0,2,0,0,0,0|1,0,0]=3 5025 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)Br 34a_100000210019_100011216346 [0,2,0,0,0,0|1,0,1]=4 5026 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100011215307 [0,2,0,0,0,0|1,0,1]=4 5027 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)C 34a_100000188690_100011216346 [0,2,0,0,0,0|1,0,1]=4 5028 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)Cl 34a_100000185859_100011216346 [0,2,0,0,0,0|1,0,1]=4 5029 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)F 34a_100000210047_100011216346 [0,2,0,0,0,0|1,0,1]=4 5030 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)I 34a_100000211102_100011216346 [0,2,0,0,0,0|1,0,1]=4 5031 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100011216346 [0,2,0,0,0,0|1,0,1]=4 5032 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Br 34a_100000210342_100011216346 [0,2,0,0,0,0|1,0,1]=4 5033 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100011216346 [0,2,0,0,0,0|1,0,1]=4 5034 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)C 34a_100000210337_100011216346 [0,2,0,0,0,0|1,0,1]=4 5035 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100011216346 [0,2,0,0,0,0|1,0,1]=4 5036 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Cl 34a_100000210295_100011216346 [0,2,0,0,0,0|1,0,1]=4 5037 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100011216346 [0,2,0,0,0,0|1,0,1]=4 5038 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)F 34a_100000210426_100011216346 [0,2,0,0,0,0|1,0,1]=4 5039 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100011216346 [0,2,0,0,0,0|1,0,1]=4 5040 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)I 34a_100000211634_100011216346 [0,2,0,0,0,0|1,0,1]=4 5041 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100011216346 [0,2,0,0,0,0|1,0,1]=4 5042 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)N 34a_100000210217_100011216346 [0,2,0,0,0,0|1,0,1]=4 5043 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)O 271570a_203496583355_200011537522 [0,2,0,0,0,0|1,0,1]=4 5044 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100011216346 [0,2,0,0,0,0|1,0,1]=4 5045 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Br 62a_100011216346_100000691529 [0,2,0,0,0,0|1,0,1]=4 5046 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100011216346 [0,2,0,0,0,0|1,0,1]=4 5047 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)C 62a_100011216346_100011215228 [0,2,0,0,0,0|1,0,1]=4 5048 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100011216346 [0,2,0,0,0,0|1,0,1]=4 5049 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)Cl 62a_100011216346_100000699651 [0,2,0,0,0,0|1,0,1]=4 5050 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100011216346 [0,2,0,0,0,0|1,0,1]=4 5051 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)F 62a_100011216346_100000685547 [0,2,0,0,0,0|1,0,1]=4 5052 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100011216346 [0,2,0,0,0,0|1,0,1]=4 5053 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)N 62a_100011216346_100000210019 [0,2,0,0,0,0|1,0,1]=4 5054 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)O 271570a_203496583355_200011756048 [0,2,0,0,0,0|1,0,1]=4 5055 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)O 62a_100011216346_100000211634 [0,2,0,0,0,0|1,0,1]=4 5056 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)[S] 62a_100011216346_114929384022 [0,2,0,0,0,0|1,0,1]=4 5057 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100011216346 [0,2,0,0,0,0|1,0,1]=4 5058 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)Br 34a_100000210019_100000760018 [0,2,0,0,0,0|1,0,1]=4 5059 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)C 2230a_100000188690_100000760018 [0,2,0,0,0,0|1,0,1]=4 5060 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)C 34a_100000188690_100000760018 [0,2,0,0,0,0|1,0,1]=4 5061 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)Cl 34a_100000185859_100000760018 [0,2,0,0,0,0|1,0,1]=4 5062 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)F 34a_100000210047_100000760018 [0,2,0,0,0,0|1,0,1]=4 5063 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)I 34a_100000211102_100000760018 [0,2,0,0,0,0|1,0,1]=4 5064 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100000760018 [0,2,0,0,0,0|1,0,1]=4 5065 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Br 34a_100000210342_100000760018 [0,2,0,0,0,0|1,0,1]=4 5066 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Br 7a_100000210342_100000040065 [0,2,0,0,0,0|1,0,1]=4 5067 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)C 34a_100000210337_100000760018 [0,2,0,0,0,0|1,0,1]=4 5068 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)C 7a_100000210337_100000040065 [0,2,0,0,0,0|1,0,1]=4 5069 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Cl 34a_100000210295_100000760018 [0,2,0,0,0,0|1,0,1]=4 5070 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)Cl 7a_100000210295_100000040065 [0,2,0,0,0,0|1,0,1]=4 5071 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100000760018 [0,2,0,0,0,0|1,0,1]=4 5072 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100000040065 [0,2,0,0,0,0|1,0,1]=4 5073 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100000760018 [0,2,0,0,0,0|1,0,1]=4 5074 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100000040065 [0,2,0,0,0,0|1,0,1]=4 5075 B15R1.49 CCOC(=O)C(F)Oc1cccc(c1)N 34a_100000210217_100000760018 [0,2,0,0,0,0|1,0,1]=4 5076 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Br 62a_100000691529_100000760018 [0,2,0,0,0,0|1,0,1]=4 5077 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Br 62a_100000760018_100000691529 [0,2,0,0,0,0|1,0,1]=4 5078 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)C 62a_100000760018_100011215228 [0,2,0,0,0,0|1,0,1]=4 5079 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)C 62a_100011215228_100000760018 [0,2,0,0,0,0|1,0,1]=4 5080 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Cl 62a_100000699651_100000760018 [0,2,0,0,0,0|1,0,1]=4 5081 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)Cl 62a_100000760018_100000699651 [0,2,0,0,0,0|1,0,1]=4 5082 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)F 62a_100000685547_100000760018 [0,2,0,0,0,0|1,0,1]=4 5083 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)F 62a_100000760018_100000685547 [0,2,0,0,0,0|1,0,1]=4 5084 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)N 62a_100000210019_100000760018 [0,2,0,0,0,0|1,0,1]=4 5085 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)N 62a_100000760018_100000210019 [0,2,0,0,0,0|1,0,1]=4 5086 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)O 62a_100000760018_100000211634 [0,2,0,0,0,0|1,0,1]=4 5087 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)[S] 62a_100000760018_114929384022 [0,2,0,0,0,0|1,0,1]=4 5088 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)[S] 62a_114929384022_100000760018 [0,2,0,0,0,0|1,0,1]=4 5089 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000753159 [0,2,0,0,0,0|1,0,1]=4 5090 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000753159 [0,2,0,0,0,0|1,0,1]=4 5091 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000753159 [0,2,0,0,0,0|1,0,1]=4 5092 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000753159 [0,2,0,0,0,0|1,0,1]=4 5093 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000753159 [0,2,0,0,0,0|1,0,1]=4 5094 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 11a_100000212058_100016258244 [0,2,0,0,0,0|1,0,1]=4 5095 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000212058_100016258244 [0,2,0,0,0,0|1,0,1]=4 5096 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000212058_100016258244 [0,2,0,0,0,0|1,0,1]=4 5097 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 11a_100000212058_100000690095 [0,2,0,0,0,0|1,0,1]=4 5098 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 1626a_100000212058_100000690095 [0,2,0,0,0,0|1,0,1]=4 5099 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 240690a_100000212058_100000690095 [0,2,0,0,0,0|1,0,1]=4 5100 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000212058_100000184502 [0,2,0,0,0,0|1,0,1]=4 5101 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000212058_100000184502 [0,2,0,0,0,0|1,0,1]=4 5102 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000212058_100000184502 [0,2,0,0,0,0|1,0,1]=4 5103 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 11a_100000212058_100000718793 [0,2,0,0,0,0|1,0,1]=4 5104 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000212058_100000718793 [0,2,0,0,0,0|1,0,1]=4 5105 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 240690a_100000212058_100000718793 [0,2,0,0,0,0|1,0,1]=4 5106 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 11a_100000212058_100020647043 [0,2,0,0,0,0|1,0,1]=4 5107 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000212058_100020647043 [0,2,0,0,0,0|1,0,1]=4 5108 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 240690a_100000212058_100020647043 [0,2,0,0,0,0|1,0,1]=4 5109 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100102629194 [0,2,0,0,0,0|1,0,1]=4 5110 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100102629194 [0,2,0,0,0,0|1,0,1]=4 5111 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100102629194 [0,2,0,0,0,0|1,0,1]=4 5112 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100102629194 [0,2,0,0,0,0|1,0,1]=4 5113 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100102629194 [0,2,0,0,0,0|1,0,1]=4 5114 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000754431 [0,2,0,0,0,0|1,0,1]=4 5115 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000762624 [0,2,0,0,0,0|1,0,1]=4 5116 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000754431 [0,2,0,0,0,0|1,0,1]=4 5117 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000754431 [0,2,0,0,0,0|1,0,1]=4 5118 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000754431 [0,2,0,0,0,0|1,0,1]=4 5119 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000762624 [0,2,0,0,0,0|1,0,1]=4 5120 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000754431 [0,2,0,0,0,0|1,0,1]=4 5121 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000762624 [0,2,0,0,0,0|1,0,1]=4 5122 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Br 1626a_100020586998_100016258244 [0,2,0,0,0,0|1,0,1]=4 5123 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Br 240690a_100020586998_100016258244 [0,2,0,0,0,0|1,0,1]=4 5124 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)C 1626a_100020586998_100000690095 [0,2,0,0,0,0|1,0,1]=4 5125 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)C 240690a_100020586998_100000690095 [0,2,0,0,0,0|1,0,1]=4 5126 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020586998_100000184502 [0,2,0,0,0,0|1,0,1]=4 5127 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020586998_100000184502 [0,2,0,0,0,0|1,0,1]=4 5128 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)F 1626a_100020586998_100000718793 [0,2,0,0,0,0|1,0,1]=4 5129 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)F 240690a_100020586998_100000718793 [0,2,0,0,0,0|1,0,1]=4 5130 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)I 1626a_100020586998_100020647043 [0,2,0,0,0,0|1,0,1]=4 5131 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)I 240690a_100020586998_100020647043 [0,2,0,0,0,0|1,0,1]=4 5132 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000748600 [0,2,0,0,0,0|1,0,1]=4 5133 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000748600 [0,2,0,0,0,0|1,0,1]=4 5134 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000748600 [0,2,0,0,0,0|1,0,1]=4 5135 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000748600 [0,2,0,0,0,0|1,0,1]=4 5136 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000748600 [0,2,0,0,0,0|1,0,1]=4 5137 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000070051 [0,2,0,0,0,0|1,0,1]=4 5138 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000070051 [0,2,0,0,0,0|1,0,1]=4 5139 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000070051 [0,2,0,0,0,0|1,0,1]=4 5140 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000070051 [0,2,0,0,0,0|1,0,1]=4 5141 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000070051 [0,2,0,0,0,0|1,0,1]=4 5142 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210211 [0,2,0,0,0,0|1,0,0]=3 5143 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000032102 [0,2,0,0,0,0|1,0,0]=3 5144 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210211 [0,2,0,0,0,0|1,0,0]=3 5145 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210211 [0,2,0,0,0,0|1,0,0]=3 5146 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210211 [0,2,0,0,0,0|1,0,0]=3 5147 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000032102 [0,2,0,0,0,0|1,0,0]=3 5148 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210211 [0,2,0,0,0,0|1,0,0]=3 5149 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000032102 [0,2,0,0,0,0|1,0,0]=3 5150 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000032102 [0,2,0,0,0,0|2,0,0]=4 5151 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000032102 [0,2,0,0,0,0|2,0,0]=4 5152 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000032102 [0,2,0,0,0,0|2,0,0]=4 5153 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000032102 [0,2,0,0,0,0|2,0,0]=4 5154 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 11a_100020643023_100016258244 [0,2,0,0,0,0|1,0,0]=3 5155 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020643023_100016258244 [0,2,0,0,0,0|1,0,0]=3 5156 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020643023_100016258244 [0,2,0,0,0,0|1,0,0]=3 5157 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 11a_100020643023_100000690095 [0,2,0,0,0,0|1,0,0]=3 5158 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 1626a_100020643023_100000690095 [0,2,0,0,0,0|1,0,0]=3 5159 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 240690a_100020643023_100000690095 [0,2,0,0,0,0|1,0,0]=3 5160 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020643023_100000184502 [0,2,0,0,0,0|1,0,0]=3 5161 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020643023_100000184502 [0,2,0,0,0,0|1,0,0]=3 5162 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020643023_100000184502 [0,2,0,0,0,0|1,0,0]=3 5163 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 11a_100020643023_100000718793 [0,2,0,0,0,0|1,0,0]=3 5164 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 1626a_100020643023_100000718793 [0,2,0,0,0,0|1,0,0]=3 5165 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 240690a_100020643023_100000718793 [0,2,0,0,0,0|1,0,0]=3 5166 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 11a_100020643023_100020647043 [0,2,0,0,0,0|1,0,0]=3 5167 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 1626a_100020643023_100020647043 [0,2,0,0,0,0|1,0,0]=3 5168 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 240690a_100020643023_100020647043 [0,2,0,0,0,0|1,0,0]=3 5169 B15R1.127 CCCOC(=O)CNc1cccc(c1)Br 34a_100000210019_200011215008 [0,2,0,0,0,0|1,0,1]=4 5170 B15R1.127 CCCOC(=O)CNc1cccc(c1)C 2230a_100000188690_200011215008 [0,2,0,0,0,0|1,0,1]=4 5171 B15R1.127 CCCOC(=O)CNc1cccc(c1)C 34a_100000188690_200011215008 [0,2,0,0,0,0|1,0,1]=4 5172 B15R1.127 CCCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_200011215008 [0,2,0,0,0,0|1,0,1]=4 5173 B15R1.127 CCCOC(=O)CNc1cccc(c1)F 34a_100000210047_200011215008 [0,2,0,0,0,0|1,0,1]=4 5174 B15R1.127 CCCOC(=O)CNc1cccc(c1)I 34a_100000211102_200011215008 [0,2,0,0,0,0|1,0,1]=4 5175 B15R1.127 CCCOC(=O)CNc1cccc(c1)O 34a_100000210217_200011215008 [0,2,0,0,0,0|1,0,1]=4 5176 B15R1.127 CCCOC(=O)COc1cccc(c1)Br 34a_100000210342_200011215008 [0,2,0,0,0,0|1,0,1]=4 5177 B15R1.127 CCCOC(=O)COc1cccc(c1)Br 7a_100000210342_200011215008 [0,2,0,0,0,0|1,0,1]=4 5178 B15R1.127 CCCOC(=O)COc1cccc(c1)C 34a_100000210337_200011215008 [0,2,0,0,0,0|1,0,1]=4 5179 B15R1.127 CCCOC(=O)COc1cccc(c1)C 7a_100000210337_200011215008 [0,2,0,0,0,0|1,0,1]=4 5180 B15R1.127 CCCOC(=O)COc1cccc(c1)Cl 34a_100000210295_200011215008 [0,2,0,0,0,0|1,0,1]=4 5181 B15R1.127 CCCOC(=O)COc1cccc(c1)Cl 7a_100000210295_200011215008 [0,2,0,0,0,0|1,0,1]=4 5182 B15R1.127 CCCOC(=O)COc1cccc(c1)F 34a_100000210426_200011215008 [0,2,0,0,0,0|1,0,1]=4 5183 B15R1.127 CCCOC(=O)COc1cccc(c1)F 7a_100000210426_200011215008 [0,2,0,0,0,0|1,0,1]=4 5184 B15R1.127 CCCOC(=O)COc1cccc(c1)I 34a_100000211634_200011215008 [0,2,0,0,0,0|1,0,1]=4 5185 B15R1.127 CCCOC(=O)COc1cccc(c1)I 7a_100000211634_200011215008 [0,2,0,0,0,0|1,0,1]=4 5186 B15R1.127 CCCOC(=O)COc1cccc(c1)N 34a_100000210217_200011215008 [0,2,0,0,0,0|1,0,1]=4 5187 B15R1.127 CCCOC(=O)CSc1cccc(c1)Br 62a_100000691529_200011215008 [0,2,0,0,0,0|1,0,1]=4 5188 B15R1.127 CCCOC(=O)CSc1cccc(c1)Br 62a_200011215008_100000691529 [0,2,0,0,0,0|1,0,1]=4 5189 B15R1.127 CCCOC(=O)CSc1cccc(c1)C 62a_100011215228_200011215008 [0,2,0,0,0,0|1,0,1]=4 5190 B15R1.127 CCCOC(=O)CSc1cccc(c1)C 62a_200011215008_100011215228 [0,2,0,0,0,0|1,0,1]=4 5191 B15R1.127 CCCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_200011215008 [0,2,0,0,0,0|1,0,1]=4 5192 B15R1.127 CCCOC(=O)CSc1cccc(c1)Cl 62a_200011215008_100000699651 [0,2,0,0,0,0|1,0,1]=4 5193 B15R1.127 CCCOC(=O)CSc1cccc(c1)F 62a_100000685547_200011215008 [0,2,0,0,0,0|1,0,1]=4 5194 B15R1.127 CCCOC(=O)CSc1cccc(c1)F 62a_200011215008_100000685547 [0,2,0,0,0,0|1,0,1]=4 5195 B15R1.127 CCCOC(=O)CSc1cccc(c1)N 62a_100000210019_200011215008 [0,2,0,0,0,0|1,0,1]=4 5196 B15R1.127 CCCOC(=O)CSc1cccc(c1)N 62a_200011215008_100000210019 [0,2,0,0,0,0|1,0,1]=4 5197 B15R1.127 CCCOC(=O)CSc1cccc(c1)O 62a_200011215008_100000211634 [0,2,0,0,0,0|1,0,1]=4 5198 B15R1.127 CCCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_200011215008 [0,2,0,0,0,0|1,0,1]=4 5199 B15R1.127 CCCOC(=O)CSc1cccc(c1)[S] 62a_200011215008_114929384022 [0,2,0,0,0,0|1,0,1]=4 5200 B15R1.127 CCNN=C(C)C=Cc1cccc(c1)Br 4a_100000756455_200016266566 [0,2,0,0,0,0|2,0,0]=4 5201 B15R1.127 CCNN=C(C)C=Cc1cccc(c1)Cl 4a_100000756455_200016280735 [0,2,0,0,0,0|2,0,0]=4 5202 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Br 22a_100000756455_100016258244 [0,2,0,0,0,0|1,0,0]=3 5203 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)C 22a_100000756455_100000690095 [0,2,0,0,0,0|1,0,0]=3 5204 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000756455_100000184502 [0,2,0,0,0,0|1,0,0]=3 5205 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)F 22a_100000756455_100000718793 [0,2,0,0,0,0|1,0,0]=3 5206 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)I 22a_100000756455_100020647043 [0,2,0,0,0,0|1,0,0]=3 5207 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)O 22a_100000756455_100102525460 [0,2,0,0,0,0|1,0,0]=3 5208 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000209952 [0,2,0,0,0,0|0,0,0]=2 5209 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000209952 [0,2,0,0,0,0|0,0,0]=2 5210 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000209952 [0,2,0,0,0,0|0,0,0]=2 5211 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000209952 [0,2,0,0,0,0|1,0,0]=3 5212 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000209952 [0,2,0,0,0,0|1,0,0]=3 5213 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000209952 [0,2,0,0,0,0|1,0,0]=3 5214 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000209952 [0,2,0,0,0,0|1,0,0]=3 5215 B15R1.127 CCOCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100000209952 [0,2,0,0,0,0|2,0,0]=4 5216 B15R1.127 CCOCC(=O)CCc1cccc(c1)Br 1458a_100000211967_100011740638 [0,2,0,0,0,0|0,0,2]=4 5217 B15R1.127 CCOCC(=O)CCc1cccc(c1)C 1458a_100000211967_100011713685 [0,2,0,0,0,0|0,0,2]=4 5218 B15R1.127 CCOCC(=O)CCc1cccc(c1)Cl 1458a_100000211967_100011713710 [0,2,0,0,0,0|0,0,2]=4 5219 B15R1.127 CCOCC(=O)CCc1cccc(c1)F 1458a_100000211967_100011217235 [0,2,0,0,0,0|0,0,2]=4 5220 B15R1.127 CCOCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000211967 [0,2,0,0,0,0|1,0,1]=4 5221 B15R1.127 CCOCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000211967 [0,2,0,0,0,0|1,0,1]=4 5222 B15R1.127 CCOCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000211967 [0,2,0,0,0,0|1,0,1]=4 5223 B15R1.127 CCOCC(=O)NCc1cccc(c1)Br 34a_100121572206_100011263252 [0,2,0,0,0,0|1,0,1]=4 5224 B15R1.127 CCOCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000211967 [0,2,0,0,0,0|1,0,1]=4 5225 B15R1.127 CCOCC(=O)NCc1cccc(c1)C 11a_100000185548_100000211967 [0,2,0,0,0,0|1,0,1]=4 5226 B15R1.127 CCOCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000211967 [0,2,0,0,0,0|1,0,1]=4 5227 B15R1.127 CCOCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000211967 [0,2,0,0,0,0|1,0,1]=4 5228 B15R1.127 CCOCC(=O)NCc1cccc(c1)C 34a_100121572206_100000754571 [0,2,0,0,0,0|1,0,1]=4 5229 B15R1.127 CCOCC(=O)NCc1cccc(c1)C 527a_100000185548_100000211967 [0,2,0,0,0,0|1,0,1]=4 5230 B15R1.127 CCOCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000211967 [0,2,0,0,0,0|1,0,1]=4 5231 B15R1.127 CCOCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000211967 [0,2,0,0,0,0|1,0,1]=4 5232 B15R1.127 CCOCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000211967 [0,2,0,0,0,0|1,0,1]=4 5233 B15R1.127 CCOCC(=O)NCc1cccc(c1)Cl 34a_100121572206_100000181154 [0,2,0,0,0,0|1,0,1]=4 5234 B15R1.127 CCOCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000211967 [0,2,0,0,0,0|1,0,1]=4 5235 B15R1.127 CCOCC(=O)NCc1cccc(c1)F 11a_100000174948_100000211967 [0,2,0,0,0,0|1,0,1]=4 5236 B15R1.127 CCOCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000211967 [0,2,0,0,0,0|1,0,1]=4 5237 B15R1.127 CCOCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000211967 [0,2,0,0,0,0|1,0,1]=4 5238 B15R1.127 CCOCC(=O)NCc1cccc(c1)F 34a_100121572206_100000738998 [0,2,0,0,0,0|1,0,1]=4 5239 B15R1.127 CCOCC(=O)NCc1cccc(c1)F 527a_100000174948_100000211967 [0,2,0,0,0,0|1,0,1]=4 5240 B15R1.127 CCOCC(=O)NCc1cccc(c1)I 11a_100000106179_100000211967 [0,2,0,0,0,0|1,0,1]=4 5241 B15R1.127 CCOCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000211967 [0,2,0,0,0,0|1,0,1]=4 5242 B15R1.127 CCOCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000211967 [0,2,0,0,0,0|1,0,1]=4 5243 B15R1.127 CCOCC(=O)NCc1cccc(c1)I 527a_100000106179_100000211967 [0,2,0,0,0,0|1,0,1]=4 5244 B15R1.127 CCOCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000211967 [0,2,0,0,0,0|1,0,1]=4 5245 B15R1.127 CCOCC(=O)NCc1cccc(c1)O 527a_100000743036_100000211967 [0,2,0,0,0,0|1,0,1]=4 5246 B15R1.127 CCOCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000211967 [0,2,0,0,0,0|2,0,0]=4 5247 B15R1.127 CCOCC(=O)NNc1cccc(c1)C 22a_100000681630_100000211967 [0,2,0,0,0,0|2,0,0]=4 5248 B15R1.127 CCOCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000211967 [0,2,0,0,0,0|2,0,0]=4 5249 B15R1.127 CCOCC(=O)NNc1cccc(c1)F 22a_100000745080_100000211967 [0,2,0,0,0,0|2,0,0]=4 5250 B15R1.127 CCOCC(=O)NNc1cccc(c1)I 22a_100020605690_100000211967 [0,2,0,0,0,0|2,0,0]=4 5251 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216171 [0,2,0,0,0,0|0,1,0]=3 5252 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216171 [0,2,0,0,0,0|0,1,0]=3 5253 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216171 [0,2,0,0,0,0|0,1,0]=3 5254 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_200011216171 [0,2,0,0,0,0|1,1,0]=4 5255 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)C 6a_100011998712_200011216171 [0,2,0,0,0,0|1,1,0]=4 5256 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_200011216171 [0,2,0,0,0,0|1,1,0]=4 5257 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)F 6a_100011361476_200011216171 [0,2,0,0,0,0|1,1,0]=4 5258 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000233755 [0,2,0,0,0,0|1,0,0]=3 5259 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000742357 [0,2,0,0,0,0|1,0,0]=3 5260 B15R1.127 COCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000233755 [0,2,0,0,0,0|1,0,0]=3 5261 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000233755 [0,2,0,0,0,0|1,0,0]=3 5262 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000233755 [0,2,0,0,0,0|1,0,0]=3 5263 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000742357 [0,2,0,0,0,0|1,0,0]=3 5264 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000233755 [0,2,0,0,0,0|1,0,0]=3 5265 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000742357 [0,2,0,0,0,0|1,0,0]=3 5266 B15R1.127 COCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000742357 [0,2,0,0,0,0|2,0,0]=4 5267 B15R1.127 COCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000742357 [0,2,0,0,0,0|2,0,0]=4 5268 B15R1.127 COCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000742357 [0,2,0,0,0,0|2,0,0]=4 5269 B15R1.127 COCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000742357 [0,2,0,0,0,0|2,0,0]=4 5270 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000751147 [0,2,0,0,0,0|1,0,0]=3 5271 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011217047 [0,2,0,0,0,0|1,0,0]=3 5272 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000751147 [0,2,0,0,0,0|1,0,0]=3 5273 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000751147 [0,2,0,0,0,0|1,0,0]=3 5274 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000751147 [0,2,0,0,0,0|1,0,0]=3 5275 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011217047 [0,2,0,0,0,0|1,0,0]=3 5276 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000751147 [0,2,0,0,0,0|1,0,0]=3 5277 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011217047 [0,2,0,0,0,0|1,0,0]=3 5278 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011217047 [0,2,0,0,0,0|2,0,0]=4 5279 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011217047 [0,2,0,0,0,0|2,0,0]=4 5280 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011217047 [0,2,0,0,0,0|2,0,0]=4 5281 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011217047 [0,2,0,0,0,0|2,0,0]=4 5282 B15R1.127 Cc1cccc(c1)C=CC(=O)CCC#N 1458a_100000690095_100011215226 [0,2,0,0,0,0|1,0,1]=4 5283 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCF 1458a_100000690095_100011934791 [0,2,0,0,0,0|1,0,0]=3 5284 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCO 1458a_100000690095_100011215043 [0,2,0,0,0,0|1,0,0]=3 5285 B15R1.127 Cc1cccc(c1)C=CC(=O)NCC#N 1626a_100000734998_100000690095 [0,2,0,0,0,0|1,0,1]=4 5286 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 11a_100000724931_100000690095 [0,2,0,0,0,0|1,0,0]=3 5287 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 1626a_100000724931_100000690095 [0,2,0,0,0,0|1,0,0]=3 5288 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 240690a_100000724931_100000690095 [0,2,0,0,0,0|1,0,0]=3 5289 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCO 240690a_100000210304_100000690095 [0,2,0,0,0,0|1,0,0]=3 5290 B15R1.127 Cc1cncc(c1)C=CC(=O)CCCBr 6a_100011998712_100000685027 [0,2,0,0,0,0|2,0,0]=4 5291 B15R1.127 Cc1cncc(c1)C=CC(=O)CCCCl 6a_100011998712_100011215641 [0,2,0,0,0,0|2,0,0]=4 5292 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215226 [0,2,0,0,0,0|1,0,1]=4 5293 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215226 [0,2,0,0,0,0|1,0,1]=4 5294 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215226 [0,2,0,0,0,0|1,0,1]=4 5295 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215226 [0,2,0,0,0,0|1,0,1]=4 5296 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000734998_100016258244 [0,2,0,0,0,0|1,0,1]=4 5297 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000734998_100000184502 [0,2,0,0,0,0|1,0,1]=4 5298 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000734998_100000718793 [0,2,0,0,0,0|1,0,1]=4 5299 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000734998_100020647043 [0,2,0,0,0,0|1,0,1]=4 5300 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCBr 6a_100000210085_100000685027 [0,2,0,0,0,0|1,0,0]=3 5301 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCCl 6a_100000210085_100011215641 [0,2,0,0,0,0|1,0,0]=3 5302 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCF 1458a_100016258244_100011934791 [0,2,0,0,0,0|1,0,0]=3 5303 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCO 1458a_100016258244_100011215043 [0,2,0,0,0,0|1,0,0]=3 5304 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 11a_100000724931_100016258244 [0,2,0,0,0,0|1,0,0]=3 5305 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 1626a_100000724931_100016258244 [0,2,0,0,0,0|1,0,0]=3 5306 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 240690a_100000724931_100016258244 [0,2,0,0,0,0|1,0,0]=3 5307 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCO 240690a_100000210304_100016258244 [0,2,0,0,0,0|1,0,0]=3 5308 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCF 1458a_100000184502_100011934791 [0,2,0,0,0,0|1,0,0]=3 5309 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCO 1458a_100000184502_100011215043 [0,2,0,0,0,0|1,0,0]=3 5310 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 11a_100000724931_100000184502 [0,2,0,0,0,0|1,0,0]=3 5311 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 1626a_100000724931_100000184502 [0,2,0,0,0,0|1,0,0]=3 5312 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100000184502 [0,2,0,0,0,0|1,0,0]=3 5313 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000184502 [0,2,0,0,0,0|1,0,0]=3 5314 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCBr 6a_100000210812_100000685027 [0,2,0,0,0,0|1,0,0]=3 5315 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCCl 6a_100000210812_100011215641 [0,2,0,0,0,0|1,0,0]=3 5316 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCF 1458a_100000718793_100011934791 [0,2,0,0,0,0|1,0,0]=3 5317 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCO 1458a_100000718793_100011215043 [0,2,0,0,0,0|1,0,0]=3 5318 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 11a_100000724931_100000718793 [0,2,0,0,0,0|1,0,0]=3 5319 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 1626a_100000724931_100000718793 [0,2,0,0,0,0|1,0,0]=3 5320 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 240690a_100000724931_100000718793 [0,2,0,0,0,0|1,0,0]=3 5321 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCO 240690a_100000210304_100000718793 [0,2,0,0,0,0|1,0,0]=3 5322 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCBr 6a_100000014684_100000685027 [0,2,0,0,0,0|1,0,0]=3 5323 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCCl 6a_100000014684_100011215641 [0,2,0,0,0,0|1,0,0]=3 5324 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCF 1458a_100020647043_100011934791 [0,2,0,0,0,0|1,0,0]=3 5325 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCO 1458a_100020647043_100011215043 [0,2,0,0,0,0|1,0,0]=3 5326 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 11a_100000724931_100020647043 [0,2,0,0,0,0|1,0,0]=3 5327 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 1626a_100000724931_100020647043 [0,2,0,0,0,0|1,0,0]=3 5328 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 240690a_100000724931_100020647043 [0,2,0,0,0,0|1,0,0]=3 5329 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCO 240690a_100000210304_100020647043 [0,2,0,0,0,0|1,0,0]=3 5330 B15R1.127 O=C(C=Cc1cncc(c1)Br)CCCBr 6a_100000687066_100000685027 [0,2,0,0,0,0|2,0,0]=4 5331 B15R1.127 O=C(C=Cc1cncc(c1)Br)CCCCl 6a_100000687066_100011215641 [0,2,0,0,0,0|2,0,0]=4 5332 B15R1.127 O=C(C=Cc1cncc(c1)Cl)CCCBr 6a_100000088910_100000685027 [0,2,0,0,0,0|2,0,0]=4 5333 B15R1.127 O=C(C=Cc1cncc(c1)Cl)CCCCl 6a_100000088910_100011215641 [0,2,0,0,0,0|2,0,0]=4 5334 B15R1.127 O=C(C=Cc1cncc(c1)F)CCCBr 6a_100011361476_100000685027 [0,2,0,0,0,0|2,0,0]=4 5335 B15R1.127 O=C(C=Cc1cncc(c1)F)CCCCl 6a_100011361476_100011215641 [0,2,0,0,0,0|2,0,0]=4 5336 B15R1.1002 CCC(C)C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000758301 [0,2,0,0,0,0|1,0,0]=3 5337 B15R1.1002 CCC(C)C(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000758301 [0,2,0,0,0,0|1,0,0]=3 5338 B15R1.1002 CCC(C)C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000758301 [0,2,0,0,0,0|1,0,0]=3 5339 B15R1.1002 CCC(C)C(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000758301 [0,2,0,0,0,0|1,0,0]=3 5340 B15R1.1002 CCC(C)C(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000758301 [0,2,0,0,0,0|1,0,0]=3 5341 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000225621_100016258244 [0,2,0,0,0,0|1,0,0]=3 5342 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000225621_100016258244 [0,2,0,0,0,0|1,0,0]=3 5343 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000225621_100016258244 [0,2,0,0,0,0|1,0,0]=3 5344 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000225621_100000690095 [0,2,0,0,0,0|1,0,0]=3 5345 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000225621_100000690095 [0,2,0,0,0,0|1,0,0]=3 5346 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)C 240690a_100000225621_100000690095 [0,2,0,0,0,0|1,0,0]=3 5347 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000225621_100000184502 [0,2,0,0,0,0|1,0,0]=3 5348 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000225621_100000184502 [0,2,0,0,0,0|1,0,0]=3 5349 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000225621_100000184502 [0,2,0,0,0,0|1,0,0]=3 5350 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000225621_100000718793 [0,2,0,0,0,0|1,0,0]=3 5351 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000225621_100000718793 [0,2,0,0,0,0|1,0,0]=3 5352 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000225621_100000718793 [0,2,0,0,0,0|1,0,0]=3 5353 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000225621_100020647043 [0,2,0,0,0,0|1,0,0]=3 5354 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000225621_100020647043 [0,2,0,0,0,0|1,0,0]=3 5355 B15R1.1002 CCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000225621_100020647043 [0,2,0,0,0,0|1,0,0]=3 5356 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000210303 [0,2,0,0,0,0|1,0,0]=3 5357 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100011215381 [0,2,0,0,0,0|1,0,0]=3 5358 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000210303 [0,2,0,0,0,0|1,0,0]=3 5359 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100011215381 [0,2,0,0,0,0|1,0,0]=3 5360 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000210303 [0,2,0,0,0,0|1,0,0]=3 5361 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100011215381 [0,2,0,0,0,0|1,0,0]=3 5362 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000210303 [0,2,0,0,0,0|1,0,0]=3 5363 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100011215381 [0,2,0,0,0,0|1,0,0]=3 5364 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100011215381 [0,2,0,0,0,0|1,0,0]=3 5365 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000210303 [0,2,0,0,0,0|1,0,0]=3 5366 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100011215381 [0,2,0,0,0,0|1,0,0]=3 5367 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100011215381 [0,2,0,0,0,0|1,0,0]=3 5368 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100011215381 [0,2,0,0,0,0|1,0,0]=3 5369 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100011215381 [0,2,0,0,0,0|1,0,0]=3 5370 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100011215381 [0,2,0,0,0,0|1,0,0]=3 5371 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100011215381 [0,2,0,0,0,0|1,0,0]=3 5372 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100011215381 [0,2,0,0,0,0|1,0,0]=3 5373 B15R1.3858 CCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100011215381 [0,2,0,0,0,0|1,0,0]=3 5374 B15R1.3858 CCCC(=O)C=Cc1cc(ncc1Br)I 6a_200135154921_100011215381 [0,2,0,0,0,0|2,0,0]=4 5375 B15R1.3858 CCCC(=O)C=Cc1cc(ncc1F)Br 6a_100000707870_100011215381 [0,2,0,0,0,0|2,0,0]=4 5376 B15R1.3858 CCCC(=O)C=Cc1cc(ncc1F)F 6a_100000731253_100011215381 [0,2,0,0,0,0|2,0,0]=4 5377 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1Br)F 11a_100015525214_100102525183 [0,2,0,0,0,0|1,0,0]=3 5378 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100015525214_100102525183 [0,2,0,0,0,0|1,0,0]=3 5379 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100015525214_200159324452 [0,2,0,0,0,0|1,0,0]=3 5380 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1C)F 11a_100015525214_100102526137 [0,2,0,0,0,0|1,0,0]=3 5381 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100015525214_100000234794 [0,2,0,0,0,0|1,0,0]=3 5382 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100015525214_100000234794 [0,2,0,0,0,0|1,0,0]=3 5383 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1F)Br 11a_100015525214_100000718207 [0,2,0,0,0,0|1,0,0]=3 5384 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100015525214_100000718207 [0,2,0,0,0,0|1,0,0]=3 5385 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1F)C 11a_100015525214_100102526132 [0,2,0,0,0,0|1,0,0]=3 5386 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1F)C 240690a_100015525214_100102526132 [0,2,0,0,0,0|1,0,0]=3 5387 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1F)F 11a_100015525214_100000744626 [0,2,0,0,0,0|1,0,0]=3 5388 B15R1.3858 CCNC(=O)C=Cc1cc(ccc1F)F 240690a_100015525214_100000744626 [0,2,0,0,0,0|1,0,0]=3 5389 B15R1.3858 CCOC(=O)/C=C/c1cc(cnc1N)O 271570a_203496583355_200020645896 [0,2,0,0,0,0|1,0,0]=3 5390 B15R1.3858 CCOC(=O)C=Cc1cc(=O)[nH]cc1F 271570a_100010199719_100009817642 [0,2,0,0,0,0|1,0,0]=3 5391 B15R1.3858 CCOC(=O)C=Cc1cc(c[nH]c1=O)F 271570a_100010199719_100009817720 [0,2,0,0,0,0|1,0,0]=3 5392 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Br)Br 271570a_100010199719_100011483371 [0,2,0,0,0,0|0,0,0]=2 5393 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Br)C 271570a_100010199719_100012353751 [0,2,0,0,0,0|0,0,0]=2 5394 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Br)Cl 271570a_100010199719_100012339723 [0,2,0,0,0,0|0,0,0]=2 5395 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Br)F 271570a_100010199719_100011217576 [0,2,0,0,0,0|0,0,0]=2 5396 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Br)N 271570a_100010199719_100000750459 [0,2,0,0,0,0|0,0,0]=2 5397 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Br)O 271570a_100010199719_100012339312 [0,2,0,0,0,0|0,0,0]=2 5398 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1C)Br 271570a_100010199719_100011344865 [0,2,0,0,0,0|0,0,0]=2 5399 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1C)C 271570a_100010199719_100000210833 [0,2,0,0,0,0|0,0,0]=2 5400 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1C)Cl 271570a_100010199719_100011263213 [0,2,0,0,0,0|0,0,0]=2 5401 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1C)F 271570a_100010199719_100011218078 [0,2,0,0,0,0|0,0,0]=2 5402 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1C)N 271570a_100010199719_100000736455 [0,2,0,0,0,0|0,0,0]=2 5403 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1C)O 271570a_100010199719_100011380479 [0,2,0,0,0,0|0,0,0]=2 5404 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Cl)Br 271570a_100010199719_100011772130 [0,2,0,0,0,0|0,0,0]=2 5405 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Cl)C 271570a_100010199719_100012356289 [0,2,0,0,0,0|0,0,0]=2 5406 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Cl)Cl 271570a_100010199719_100000707729 [0,2,0,0,0,0|0,0,0]=2 5407 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Cl)F 271570a_100010199719_100011217299 [0,2,0,0,0,0|0,0,0]=2 5408 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Cl)N 271570a_100010199719_100012360549 [0,2,0,0,0,0|0,0,0]=2 5409 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1Cl)O 271570a_100010199719_100000049588 [0,2,0,0,0,0|0,0,0]=2 5410 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1F)Br 271570a_100010199719_100011217312 [0,2,0,0,0,0|0,0,0]=2 5411 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1F)C 271570a_100010199719_100000736223 [0,2,0,0,0,0|0,0,0]=2 5412 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1F)Cl 271570a_100010199719_100011218116 [0,2,0,0,0,0|0,0,0]=2 5413 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1F)F 271570a_100010199719_100000750033 [0,2,0,0,0,0|0,0,0]=2 5414 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1F)N 271570a_100010199719_100000760356 [0,2,0,0,0,0|0,0,0]=2 5415 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1F)O 271570a_100010199719_100000693481 [0,2,0,0,0,0|0,0,0]=2 5416 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1N)Br 271570a_100010199719_100000187925 [0,2,0,0,0,0|0,0,0]=2 5417 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1N)C 271570a_100010199719_100000210942 [0,2,0,0,0,0|0,0,0]=2 5418 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1N)Cl 271570a_100010199719_100000761889 [0,2,0,0,0,0|0,0,0]=2 5419 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1N)F 271570a_100010199719_100000760547 [0,2,0,0,0,0|0,0,0]=2 5420 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1N)N 271570a_100010199719_100011534242 [0,2,0,0,0,0|0,0,0]=2 5421 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1N)O 271570a_100010199719_100012001276 [0,2,0,0,0,0|0,0,0]=2 5422 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1O)Br 271570a_100010199719_100012355227 [0,2,0,0,0,0|0,0,0]=2 5423 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1O)C 271570a_100010199719_100000765521 [0,2,0,0,0,0|0,0,0]=2 5424 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1O)Cl 271570a_100010199719_100011356953 [0,2,0,0,0,0|0,0,0]=2 5425 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1O)F 271570a_100010199719_100000211999 [0,2,0,0,0,0|0,0,0]=2 5426 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1O)N 271570a_100010199719_100011534360 [0,2,0,0,0,0|0,0,0]=2 5427 B15R1.3858 CCOC(=O)C=Cc1cc(ccc1O)O 271570a_100010199719_100009813629 [0,2,0,0,0,0|0,0,0]=2 5428 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1Br)N 271570a_100010199719_100010201102 [0,2,0,0,0,0|1,0,0]=3 5429 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1C)Br 271570a_100010199719_200010090566 [0,2,0,0,0,0|1,0,0]=3 5430 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1C)C 271570a_100010199719_100009817436 [0,2,0,0,0,0|1,0,0]=3 5431 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1C)F 271570a_100010199719_100009860710 [0,2,0,0,0,0|1,0,0]=3 5432 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1C)N 271570a_100010199719_100011998591 [0,2,0,0,0,0|1,0,0]=3 5433 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1C)O 271570a_100010199719_100009819603 [0,2,0,0,0,0|1,0,0]=3 5434 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1Cl)Br 271570a_100010199719_100009814771 [0,2,0,0,0,0|1,0,0]=3 5435 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1Cl)C 271570a_100010199719_100010210167 [0,2,0,0,0,0|1,0,0]=3 5436 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1Cl)Cl 271570a_100010199719_200000062399 [0,2,0,0,0,0|1,0,0]=3 5437 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1Cl)N 271570a_100010199719_100010253917 [0,2,0,0,0,0|1,0,0]=3 5438 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1F)Br 271570a_100010199719_100010172738 [0,2,0,0,0,0|1,0,0]=3 5439 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1F)C 271570a_100010199719_100000049784 [0,2,0,0,0,0|1,0,0]=3 5440 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1F)Cl 271570a_100010199719_100010188783 [0,2,0,0,0,0|1,0,0]=3 5441 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1F)F 271570a_100010199719_100009820768 [0,2,0,0,0,0|1,0,0]=3 5442 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1F)N 271570a_100010199719_100009840397 [0,2,0,0,0,0|1,0,0]=3 5443 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1F)O 271570a_100010199719_100009817267 [0,2,0,0,0,0|1,0,0]=3 5444 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1N)Br 271570a_100010199719_100000760472 [0,2,0,0,0,0|1,0,0]=3 5445 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1N)C 271570a_100010199719_100000049664 [0,2,0,0,0,0|1,0,0]=3 5446 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1N)Cl 271570a_100010199719_100000050159 [0,2,0,0,0,0|1,0,0]=3 5447 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1N)F 271570a_100010199719_100009814671 [0,2,0,0,0,0|1,0,0]=3 5448 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1N)N 271570a_100010199719_200011934315 [0,2,0,0,0,0|1,0,0]=3 5449 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1O)Br 271570a_100010199719_100010197142 [0,2,0,0,0,0|1,0,0]=3 5450 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1O)C 271570a_100010199719_100000049931 [0,2,0,0,0,0|1,0,0]=3 5451 B15R1.3858 CCOC(=O)C=Cc1cc(cnc1O)Cl 271570a_100010199719_100010188700 [0,2,0,0,0,0|1,0,0]=3 5452 B15R1.3858 CCOC(=O)C=Cc1cc(n[nH]c1=O)C 271570a_100010199719_100009819039 [0,2,0,0,0,0|2,0,0]=4 5453 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1Br)Br 271570a_100010199719_100010171693 [0,2,0,0,0,0|1,0,0]=3 5454 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1Br)Cl 271570a_100010199719_100009815598 [0,2,0,0,0,0|1,0,0]=3 5455 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1C)Br 271570a_100010199719_100010067628 [0,2,0,0,0,0|1,0,0]=3 5456 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1C)C 271570a_100010199719_100009862788 [0,2,0,0,0,0|1,0,0]=3 5457 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1C)Cl 271570a_100010199719_100010068021 [0,2,0,0,0,0|1,0,0]=3 5458 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1C)F 271570a_100010199719_100000049870 [0,2,0,0,0,0|1,0,0]=3 5459 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1C)N 271570a_100010199719_100009819938 [0,2,0,0,0,0|1,0,0]=3 5460 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1C)O 271570a_100010199719_100009831917 [0,2,0,0,0,0|1,0,0]=3 5461 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1Cl)Br 271570a_100010199719_100010223331 [0,2,0,0,0,0|1,0,0]=3 5462 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1Cl)Cl 271570a_100010199719_100010172835 [0,2,0,0,0,0|1,0,0]=3 5463 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1Cl)F 271570a_100010199719_100009892587 [0,2,0,0,0,0|1,0,0]=3 5464 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1Cl)N 271570a_100010199719_100010134119 [0,2,0,0,0,0|1,0,0]=3 5465 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1F)Br 271570a_100010199719_100010193852 [0,2,0,0,0,0|1,0,0]=3 5466 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1F)C 271570a_100010199719_100009867690 [0,2,0,0,0,0|1,0,0]=3 5467 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1F)Cl 271570a_100010199719_100000708277 [0,2,0,0,0,0|1,0,0]=3 5468 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1F)F 271570a_100010199719_100010233071 [0,2,0,0,0,0|1,0,0]=3 5469 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1F)N 271570a_100010199719_100015713587 [0,2,0,0,0,0|1,0,0]=3 5470 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1N)Cl 271570a_100010199719_100000050123 [0,2,0,0,0,0|1,0,0]=3 5471 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1O)C 271570a_100010199719_100009843476 [0,2,0,0,0,0|1,0,0]=3 5472 B15R1.3858 CCOC(=O)C=Cc1cc(ncc1O)Cl 271570a_100010199719_100000698892 [0,2,0,0,0,0|1,0,0]=3 5473 B15R1.3858 CCOC(=O)C=Cc1cc(nnc1O)O 271570a_100010199719_100000759565 [0,2,0,0,0,0|2,0,0]=4 5474 B15R1.3858 CCOC(=O)C=Cc1cn(ccc1=O)C 271570a_100010199719_100010750718 [0,2,0,0,0,0|1,0,0]=3 5475 B15R1.3858 CCOC(=O)C=Cc1nc(c[nH]c1=O)C 271570a_100010199719_100009858157 [0,2,0,0,0,0|2,0,0]=4 5476 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1Br)N 271570a_100010199719_100010192275 [0,2,0,0,0,0|1,0,0]=3 5477 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1C)C 271570a_100010199719_100009854376 [0,2,0,0,0,0|1,0,0]=3 5478 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1C)N 271570a_100010199719_100000126722 [0,2,0,0,0,0|1,0,0]=3 5479 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1F)C 271570a_100010199719_100009817602 [0,2,0,0,0,0|1,0,0]=3 5480 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1F)Cl 271570a_100010199719_100010136221 [0,2,0,0,0,0|1,0,0]=3 5481 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1F)F 271570a_100010199719_100010997973 [0,2,0,0,0,0|1,0,0]=3 5482 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1F)N 271570a_100010199719_100010892222 [0,2,0,0,0,0|1,0,0]=3 5483 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1N)Br 271570a_100010199719_100010168765 [0,2,0,0,0,0|1,0,0]=3 5484 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1N)C 271570a_100010199719_100000685570 [0,2,0,0,0,0|1,0,0]=3 5485 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1N)Cl 271570a_100010199719_100010233647 [0,2,0,0,0,0|1,0,0]=3 5486 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1N)F 271570a_100010199719_100009879877 [0,2,0,0,0,0|1,0,0]=3 5487 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1N)N 271570a_100010199719_200009884323 [0,2,0,0,0,0|1,0,0]=3 5488 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1O)Br 271570a_100010199719_100010253912 [0,2,0,0,0,0|1,0,0]=3 5489 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1O)C 271570a_100010199719_100000702858 [0,2,0,0,0,0|1,0,0]=3 5490 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1O)Cl 271570a_100010199719_100000696390 [0,2,0,0,0,0|1,0,0]=3 5491 B15R1.3858 CCOC(=O)C=Cc1nc(ccc1O)F 271570a_100010199719_100010382442 [0,2,0,0,0,0|1,0,0]=3 5492 B15R1.3858 CCOC(=O)C=Cc1nc(cnc1C)C 271570a_100010199719_100000211308 [0,2,0,0,0,0|2,0,0]=4 5493 B15R1.3858 CCOC(=O)C=Cc1nc(cnc1C)N 271570a_100010199719_100009877824 [0,2,0,0,0,0|2,0,0]=4 5494 B15R1.3858 CCOC(=O)C=Cc1nc(cnc1N)Br 271570a_100010199719_100010988662 [0,2,0,0,0,0|2,0,0]=4 5495 B15R1.3858 CCOC(=O)C=Cc1nc(cnc1N)C 271570a_100010199719_100009819049 [0,2,0,0,0,0|2,0,0]=4 5496 B15R1.3858 CCOC(=O)C=Cc1nc(ncc1C)N 271570a_100010199719_100000016107 [0,2,0,0,0,0|2,0,0]=4 5497 B15R1.3858 CCOC(=O)C=Cc1nc(ncc1F)C 271570a_100010199719_100000059819 [0,2,0,0,0,0|2,0,0]=4 5498 B15R1.3858 CCOC(=O)C=Cc1nc(ncc1F)N 271570a_100010199719_200000093006 [0,2,0,0,0,0|2,0,0]=4 5499 B15R1.3858 CCOC(=O)C=Cc1nc(ncc1N)C 271570a_100010199719_100009873743 [0,2,0,0,0,0|2,0,0]=4 5500 B15R1.3858 CCOC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000188475 [0,2,0,0,0,0|1,0,1]=4 5501 B15R1.3858 CCOC(=O)CNc1cc(ccc1Br)C 34a_100000745044_100000188475 [0,2,0,0,0,0|1,0,1]=4 5502 B15R1.3858 CCOC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000188475 [0,2,0,0,0,0|1,0,1]=4 5503 B15R1.3858 CCOC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000188475 [0,2,0,0,0,0|1,0,1]=4 5504 B15R1.3858 CCOC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000188475 [0,2,0,0,0,0|1,0,1]=4 5505 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)Br 34a_100000741167_100000188475 [0,2,0,0,0,0|1,0,1]=4 5506 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)Br 7a_100000741167_100000188475 [0,2,0,0,0,0|1,0,1]=4 5507 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)C 2230a_100000185781_100000188475 [0,2,0,0,0,0|1,0,1]=4 5508 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)C 34a_100000185781_100000188475 [0,2,0,0,0,0|1,0,1]=4 5509 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)C 7a_100000185781_100000188475 [0,2,0,0,0,0|1,0,1]=4 5510 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)Cl 34a_100000211374_100000188475 [0,2,0,0,0,0|1,0,1]=4 5511 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)Cl 7a_100000211374_100000188475 [0,2,0,0,0,0|1,0,1]=4 5512 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)F 34a_100000211107_100000188475 [0,2,0,0,0,0|1,0,1]=4 5513 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)F 7a_100000211107_100000188475 [0,2,0,0,0,0|1,0,1]=4 5514 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)I 7a_100000761890_100000188475 [0,2,0,0,0,0|1,0,1]=4 5515 B15R1.3858 CCOC(=O)CNc1cc(ccc1C)O 34a_100011216113_100000188475 [0,2,0,0,0,0|1,0,1]=4 5516 B15R1.3858 CCOC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000188475 [0,2,0,0,0,0|1,0,1]=4 5517 B15R1.3858 CCOC(=O)CNc1cc(ccc1Cl)C 34a_100011215360_100000188475 [0,2,0,0,0,0|1,0,1]=4 5518 B15R1.3858 CCOC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000188475 [0,2,0,0,0,0|1,0,1]=4 5519 B15R1.3858 CCOC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000188475 [0,2,0,0,0,0|1,0,1]=4 5520 B15R1.3858 CCOC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000188475 [0,2,0,0,0,0|1,0,1]=4 5521 B15R1.3858 CCOC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000188475 [0,2,0,0,0,0|1,0,1]=4 5522 B15R1.3858 CCOC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000188475 [0,2,0,0,0,0|1,0,1]=4 5523 B15R1.3858 CCOC(=O)CNc1cc(ccc1F)C 34a_100000211285_100000188475 [0,2,0,0,0,0|1,0,1]=4 5524 B15R1.3858 CCOC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000188475 [0,2,0,0,0,0|1,0,1]=4 5525 B15R1.3858 CCOC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000188475 [0,2,0,0,0,0|1,0,1]=4 5526 B15R1.3858 CCOC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000188475 [0,2,0,0,0,0|1,0,1]=4 5527 B15R1.3858 CCOC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000188475 [0,2,0,0,0,0|1,0,1]=4 5528 B15R1.3858 CCOC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000188475 [0,2,0,0,0,0|1,0,1]=4 5529 B15R1.3858 CCOC(=O)CNc1cc(ccc1I)C 34a_100011216686_100000188475 [0,2,0,0,0,0|1,0,1]=4 5530 B15R1.3858 CCOC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000188475 [0,2,0,0,0,0|1,0,1]=4 5531 B15R1.3858 CCOC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000188475 [0,2,0,0,0,0|1,0,1]=4 5532 B15R1.3858 CCOC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000188475 [0,2,0,0,0,0|1,0,1]=4 5533 B15R1.3858 CCOC(=O)CNc1cc(ccc1O)C 34a_100011215204_100000188475 [0,2,0,0,0,0|1,0,1]=4 5534 B15R1.3858 CCOC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000188475 [0,2,0,0,0,0|1,0,1]=4 5535 B15R1.3858 CCOC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000188475 [0,2,0,0,0,0|1,0,1]=4 5536 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000188475 [0,2,0,0,0,0|1,0,1]=4 5537 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000188475 [0,2,0,0,0,0|1,0,1]=4 5538 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)C 34a_100012002257_100000188475 [0,2,0,0,0,0|1,0,1]=4 5539 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)C 7a_100012002257_100000188475 [0,2,0,0,0,0|1,0,1]=4 5540 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000188475 [0,2,0,0,0,0|1,0,1]=4 5541 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000188475 [0,2,0,0,0,0|1,0,1]=4 5542 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000188475 [0,2,0,0,0,0|1,0,1]=4 5543 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000188475 [0,2,0,0,0,0|1,0,1]=4 5544 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000188475 [0,2,0,0,0,0|1,0,1]=4 5545 B15R1.3858 CCOC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000188475 [0,2,0,0,0,0|1,0,1]=4 5546 B15R1.3858 CCOC(=O)COc1cc(ccc1C)Br 34a_100000685420_100000188475 [0,2,0,0,0,0|1,0,1]=4 5547 B15R1.3858 CCOC(=O)COc1cc(ccc1C)Br 7a_100000685420_100000188475 [0,2,0,0,0,0|1,0,1]=4 5548 B15R1.3858 CCOC(=O)COc1cc(ccc1C)C 34a_100000210931_100000188475 [0,2,0,0,0,0|1,0,1]=4 5549 B15R1.3858 CCOC(=O)COc1cc(ccc1C)C 7a_100000210931_100000188475 [0,2,0,0,0,0|1,0,1]=4 5550 B15R1.3858 CCOC(=O)COc1cc(ccc1C)Cl 34a_100000756515_100000188475 [0,2,0,0,0,0|1,0,1]=4 5551 B15R1.3858 CCOC(=O)COc1cc(ccc1C)Cl 7a_100000756515_100000188475 [0,2,0,0,0,0|1,0,1]=4 5552 B15R1.3858 CCOC(=O)COc1cc(ccc1C)F 34a_100000690566_100000188475 [0,2,0,0,0,0|1,0,1]=4 5553 B15R1.3858 CCOC(=O)COc1cc(ccc1C)F 7a_100000690566_100000188475 [0,2,0,0,0,0|1,0,1]=4 5554 B15R1.3858 CCOC(=O)COc1cc(ccc1C)I 7a_100000766334_100000188475 [0,2,0,0,0,0|1,0,1]=4 5555 B15R1.3858 CCOC(=O)COc1cc(ccc1C)N 34a_100000759471_100000188475 [0,2,0,0,0,0|1,0,1]=4 5556 B15R1.3858 CCOC(=O)COc1cc(ccc1C)N 7a_100000759471_100000188475 [0,2,0,0,0,0|1,0,1]=4 5557 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000188475 [0,2,0,0,0,0|1,0,1]=4 5558 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000188475 [0,2,0,0,0,0|1,0,1]=4 5559 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)C 34a_100000211493_100000188475 [0,2,0,0,0,0|1,0,1]=4 5560 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)C 7a_100000211493_100000188475 [0,2,0,0,0,0|1,0,1]=4 5561 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000188475 [0,2,0,0,0,0|1,0,1]=4 5562 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000188475 [0,2,0,0,0,0|1,0,1]=4 5563 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000188475 [0,2,0,0,0,0|1,0,1]=4 5564 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000188475 [0,2,0,0,0,0|1,0,1]=4 5565 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000188475 [0,2,0,0,0,0|1,0,1]=4 5566 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000188475 [0,2,0,0,0,0|1,0,1]=4 5567 B15R1.3858 CCOC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000188475 [0,2,0,0,0,0|1,0,1]=4 5568 B15R1.3858 CCOC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000188475 [0,2,0,0,0,0|1,0,1]=4 5569 B15R1.3858 CCOC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000188475 [0,2,0,0,0,0|1,0,1]=4 5570 B15R1.3858 CCOC(=O)COc1cc(ccc1F)C 34a_100000759540_100000188475 [0,2,0,0,0,0|1,0,1]=4 5571 B15R1.3858 CCOC(=O)COc1cc(ccc1F)C 7a_100000759540_100000188475 [0,2,0,0,0,0|1,0,1]=4 5572 B15R1.3858 CCOC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000188475 [0,2,0,0,0,0|1,0,1]=4 5573 B15R1.3858 CCOC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000188475 [0,2,0,0,0,0|1,0,1]=4 5574 B15R1.3858 CCOC(=O)COc1cc(ccc1F)F 34a_100000752141_100000188475 [0,2,0,0,0,0|1,0,1]=4 5575 B15R1.3858 CCOC(=O)COc1cc(ccc1F)F 7a_100000752141_100000188475 [0,2,0,0,0,0|1,0,1]=4 5576 B15R1.3858 CCOC(=O)COc1cc(ccc1F)I 34a_100009958187_100000188475 [0,2,0,0,0,0|1,0,1]=4 5577 B15R1.3858 CCOC(=O)COc1cc(ccc1F)I 7a_100009958187_100000188475 [0,2,0,0,0,0|1,0,1]=4 5578 B15R1.3858 CCOC(=O)COc1cc(ccc1F)N 34a_100012017398_100000188475 [0,2,0,0,0,0|1,0,1]=4 5579 B15R1.3858 CCOC(=O)COc1cc(ccc1F)N 7a_100012017398_100000188475 [0,2,0,0,0,0|1,0,1]=4 5580 B15R1.3858 CCOC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000188475 [0,2,0,0,0,0|1,0,1]=4 5581 B15R1.3858 CCOC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000188475 [0,2,0,0,0,0|1,0,1]=4 5582 B15R1.3858 CCOC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000188475 [0,2,0,0,0,0|1,0,1]=4 5583 B15R1.3858 CCOC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000188475 [0,2,0,0,0,0|1,0,1]=4 5584 B15R1.3858 CCOC(=O)COc1cc(ccc1I)F 34a_100010084537_100000188475 [0,2,0,0,0,0|1,0,1]=4 5585 B15R1.3858 CCOC(=O)COc1cc(ccc1I)F 7a_100010084537_100000188475 [0,2,0,0,0,0|1,0,1]=4 5586 B15R1.3858 CCOC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000188475 [0,2,0,0,0,0|1,0,1]=4 5587 B15R1.3858 CCOC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000188475 [0,2,0,0,0,0|1,0,1]=4 5588 B15R1.3858 CCOC(=O)COc1cc(ccc1N)C 34a_100000211527_100000188475 [0,2,0,0,0,0|1,0,1]=4 5589 B15R1.3858 CCOC(=O)COc1cc(ccc1N)C 7a_100000211527_100000188475 [0,2,0,0,0,0|1,0,1]=4 5590 B15R1.3858 CCOC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000188475 [0,2,0,0,0,0|1,0,1]=4 5591 B15R1.3858 CCOC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000188475 [0,2,0,0,0,0|1,0,1]=4 5592 B15R1.3858 CCOC(=O)COc1cc(ccc1N)F 34a_100000753323_100000188475 [0,2,0,0,0,0|1,0,1]=4 5593 B15R1.3858 CCOC(=O)COc1cc(ccc1N)F 7a_100000753323_100000188475 [0,2,0,0,0,0|1,0,1]=4 5594 B15R1.3858 CCOC(=O)COc1cc(ccc1N)I 34a_100000057187_100000188475 [0,2,0,0,0,0|1,0,1]=4 5595 B15R1.3858 CCOC(=O)COc1cc(ccc1N)I 7a_100000057187_100000188475 [0,2,0,0,0,0|1,0,1]=4 5596 B15R1.3858 CCOC(=O)COc1cc(ccc1N)N 34a_100025717382_100000188475 [0,2,0,0,0,0|1,0,1]=4 5597 B15R1.3858 CCOC(=O)COc1cc(ccc1O)F 271570a_203496583355_200012344433 [0,2,0,0,0,0|1,0,1]=4 5598 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)Br 62a_100000188475_100011483371 [0,2,0,0,0,0|1,0,1]=4 5599 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)Br 62a_100011483371_100000188475 [0,2,0,0,0,0|1,0,1]=4 5600 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)C 62a_100000188475_100012353751 [0,2,0,0,0,0|1,0,1]=4 5601 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)C 62a_100012353751_100000188475 [0,2,0,0,0,0|1,0,1]=4 5602 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)Cl 62a_100000188475_100012339723 [0,2,0,0,0,0|1,0,1]=4 5603 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)Cl 62a_100012339723_100000188475 [0,2,0,0,0,0|1,0,1]=4 5604 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)F 62a_100000188475_100011217576 [0,2,0,0,0,0|1,0,1]=4 5605 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)F 62a_100011217576_100000188475 [0,2,0,0,0,0|1,0,1]=4 5606 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)N 62a_100000188475_100000750459 [0,2,0,0,0,0|1,0,1]=4 5607 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000188475 [0,2,0,0,0,0|1,0,1]=4 5608 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)O 62a_100000188475_100012339312 [0,2,0,0,0,0|1,0,1]=4 5609 B15R1.3858 CCOC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000188475 [0,2,0,0,0,0|1,0,1]=4 5610 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)Br 62a_100000188475_100011344865 [0,2,0,0,0,0|1,0,1]=4 5611 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)Br 62a_100011344865_100000188475 [0,2,0,0,0,0|1,0,1]=4 5612 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)C 62a_100000188475_100000210833 [0,2,0,0,0,0|1,0,1]=4 5613 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)C 62a_100000210833_100000188475 [0,2,0,0,0,0|1,0,1]=4 5614 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)Cl 62a_100000188475_100011263213 [0,2,0,0,0,0|1,0,1]=4 5615 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)Cl 62a_100011263213_100000188475 [0,2,0,0,0,0|1,0,1]=4 5616 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)F 62a_100000188475_100011218078 [0,2,0,0,0,0|1,0,1]=4 5617 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)F 62a_100011218078_100000188475 [0,2,0,0,0,0|1,0,1]=4 5618 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)N 62a_100000188475_100000736455 [0,2,0,0,0,0|1,0,1]=4 5619 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)N 62a_100000736455_100000188475 [0,2,0,0,0,0|1,0,1]=4 5620 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)O 62a_100000188475_100011380479 [0,2,0,0,0,0|1,0,1]=4 5621 B15R1.3858 CCOC(=O)CSc1cc(ccc1C)O 62a_100011380479_100000188475 [0,2,0,0,0,0|1,0,1]=4 5622 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)Br 62a_100000188475_100011772130 [0,2,0,0,0,0|1,0,1]=4 5623 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)Br 62a_100011772130_100000188475 [0,2,0,0,0,0|1,0,1]=4 5624 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)C 62a_100000188475_100012356289 [0,2,0,0,0,0|1,0,1]=4 5625 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)C 62a_100012356289_100000188475 [0,2,0,0,0,0|1,0,1]=4 5626 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)Cl 62a_100000188475_100000707729 [0,2,0,0,0,0|1,0,1]=4 5627 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000188475 [0,2,0,0,0,0|1,0,1]=4 5628 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)F 62a_100000188475_100011217299 [0,2,0,0,0,0|1,0,1]=4 5629 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)F 62a_100011217299_100000188475 [0,2,0,0,0,0|1,0,1]=4 5630 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)N 62a_100000188475_100012360549 [0,2,0,0,0,0|1,0,1]=4 5631 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000188475 [0,2,0,0,0,0|1,0,1]=4 5632 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000188475 [0,2,0,0,0,0|1,0,1]=4 5633 B15R1.3858 CCOC(=O)CSc1cc(ccc1Cl)O 62a_100000188475_100000049588 [0,2,0,0,0,0|1,0,1]=4 5634 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)Br 62a_100000188475_100011217312 [0,2,0,0,0,0|1,0,1]=4 5635 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)Br 62a_100011217312_100000188475 [0,2,0,0,0,0|1,0,1]=4 5636 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)C 62a_100000188475_100000736223 [0,2,0,0,0,0|1,0,1]=4 5637 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)C 62a_100000736223_100000188475 [0,2,0,0,0,0|1,0,1]=4 5638 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)Cl 62a_100000188475_100011218116 [0,2,0,0,0,0|1,0,1]=4 5639 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)Cl 62a_100011218116_100000188475 [0,2,0,0,0,0|1,0,1]=4 5640 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)F 62a_100000188475_100011219198 [0,2,0,0,0,0|1,0,1]=4 5641 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)F 62a_100011219198_100000188475 [0,2,0,0,0,0|1,0,1]=4 5642 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)N 62a_100000188475_100000760356 [0,2,0,0,0,0|1,0,1]=4 5643 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000188475 [0,2,0,0,0,0|1,0,1]=4 5644 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)O 62a_100000188475_100000693481 [0,2,0,0,0,0|1,0,1]=4 5645 B15R1.3858 CCOC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000188475 [0,2,0,0,0,0|1,0,1]=4 5646 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)Br 62a_100000187925_100000188475 [0,2,0,0,0,0|1,0,1]=4 5647 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)Br 62a_100000188475_100000187925 [0,2,0,0,0,0|1,0,1]=4 5648 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)C 62a_100000188475_100011356834 [0,2,0,0,0,0|1,0,1]=4 5649 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)C 62a_100011356834_100000188475 [0,2,0,0,0,0|1,0,1]=4 5650 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)Cl 62a_100000188475_100000761889 [0,2,0,0,0,0|1,0,1]=4 5651 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)Cl 62a_100000761889_100000188475 [0,2,0,0,0,0|1,0,1]=4 5652 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)F 62a_100000188475_100000760547 [0,2,0,0,0,0|1,0,1]=4 5653 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)F 62a_100000760547_100000188475 [0,2,0,0,0,0|1,0,1]=4 5654 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)N 62a_100000188475_100011534242 [0,2,0,0,0,0|1,0,1]=4 5655 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000188475 [0,2,0,0,0,0|1,0,1]=4 5656 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)O 62a_100000188475_100012001276 [0,2,0,0,0,0|1,0,1]=4 5657 B15R1.3858 CCOC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000188475 [0,2,0,0,0,0|1,0,1]=4 5658 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)Br 62a_100000188475_100012355227 [0,2,0,0,0,0|1,0,1]=4 5659 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000188475 [0,2,0,0,0,0|1,0,1]=4 5660 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)C 62a_100000188475_100000765521 [0,2,0,0,0,0|1,0,1]=4 5661 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000188475 [0,2,0,0,0,0|1,0,1]=4 5662 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)Cl 62a_100000188475_100011356953 [0,2,0,0,0,0|1,0,1]=4 5663 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000188475 [0,2,0,0,0,0|1,0,1]=4 5664 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)F 62a_100000188475_100000211999 [0,2,0,0,0,0|1,0,1]=4 5665 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000188475 [0,2,0,0,0,0|1,0,1]=4 5666 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)N 62a_100000188475_100011534360 [0,2,0,0,0,0|1,0,1]=4 5667 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000188475 [0,2,0,0,0,0|1,0,1]=4 5668 B15R1.3858 CCOC(=O)CSc1cc(ccc1O)O 62a_100000188475_100009813629 [0,2,0,0,0,0|1,0,1]=4 5669 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1Br)F 22a_100016993582_100102525183 [0,2,0,0,0,0|2,0,0]=4 5670 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1Br)O 22a_100016993582_200159324452 [0,2,0,0,0,0|2,0,0]=4 5671 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1C)C 22a_100016993582_200016256798 [0,2,0,0,0,0|2,0,0]=4 5672 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1C)F 22a_100016993582_100102526137 [0,2,0,0,0,0|2,0,0]=4 5673 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1Cl)Cl 22a_100016993582_100000234794 [0,2,0,0,0,0|2,0,0]=4 5674 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1F)Br 22a_100016993582_100000718207 [0,2,0,0,0,0|2,0,0]=4 5675 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1F)C 22a_100016993582_100102526132 [0,2,0,0,0,0|2,0,0]=4 5676 B15R1.3858 CNNC(=O)C=Cc1cc(ccc1F)F 22a_100016993582_100000744626 [0,2,0,0,0,0|2,0,0]=4 5677 B15R1.3858 COCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100000211753 [0,2,0,0,0,0|2,0,0]=4 5678 B15R1.3858 COCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100000211753 [0,2,0,0,0,0|2,0,0]=4 5679 B15R1.3858 COCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100000211753 [0,2,0,0,0,0|2,0,0]=4 5680 B15R1.3858 COCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100000211753 [0,2,0,0,0,0|2,0,0]=4 5681 B15R1.3858 COCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100000211753 [0,2,0,0,0,0|2,0,0]=4 5682 B15R1.3858 COCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100000211753 [0,2,0,0,0,0|2,0,0]=4 5683 B15R1.3858 COCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100000211753 [0,2,0,0,0,0|2,0,0]=4 5684 B15R1.3858 COCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100000211753 [0,2,0,0,0,0|2,0,0]=4 5685 B15R1.3858 COCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100000211753 [0,2,0,0,0,0|2,0,0]=4 5686 B15R1.3858 COCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100000211753 [0,2,0,0,0,0|2,0,0]=4 5687 B15R1.3858 COCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100000211753 [0,2,0,0,0,0|2,0,0]=4 5688 B15R1.3858 COCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100000211753 [0,2,0,0,0,0|2,0,0]=4 5689 B15R1.3858 COCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000211753 [0,2,0,0,0,0|2,0,0]=4 5690 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100011216314 [0,2,0,0,0,0|2,0,0]=4 5691 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100011216314 [0,2,0,0,0,0|2,0,0]=4 5692 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100011216314 [0,2,0,0,0,0|2,0,0]=4 5693 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100011216314 [0,2,0,0,0,0|2,0,0]=4 5694 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100011216314 [0,2,0,0,0,0|2,0,0]=4 5695 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100011216314 [0,2,0,0,0,0|2,0,0]=4 5696 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100011216314 [0,2,0,0,0,0|2,0,0]=4 5697 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100011216314 [0,2,0,0,0,0|2,0,0]=4 5698 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100011216314 [0,2,0,0,0,0|2,0,0]=4 5699 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100011216314 [0,2,0,0,0,0|2,0,0]=4 5700 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100011216314 [0,2,0,0,0,0|2,0,0]=4 5701 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100011216314 [0,2,0,0,0,0|2,0,0]=4 5702 B15R1.3858 CSCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100011216314 [0,2,0,0,0,0|2,0,0]=4 5703 B15R1.3858 Cc1ccc(c(c1)C=CC(=O)CCBr)F 6a_100000756917_100011261029 [0,2,0,0,0,0|2,0,0]=4 5704 B15R1.3858 Cc1ccc(c(c1)C=CC(=O)CCBr)I 6a_100010150105_100011261029 [0,2,0,0,0,0|2,0,0]=4 5705 B15R1.3858 Cc1ccc(c(c1)C=CC(=O)CCCl)F 6a_100000756917_100000053229 [0,2,0,0,0,0|2,0,0]=4 5706 B15R1.3858 Cc1ccc(c(c1)C=CC(=O)CCCl)I 6a_100010150105_100000053229 [0,2,0,0,0,0|2,0,0]=4 5707 B15R1.3858 Cc1ccc(c(c1)C=CC(=O)CCF)F 1458a_100102526132_100011217306 [0,2,0,0,0,0|2,0,0]=4 5708 B15R1.3858 Cc1ccc(c(c1)C=CC(=O)CCO)F 1458a_100102526132_100000211926 [0,2,0,0,0,0|2,0,0]=4 5709 B15R1.3858 O=C(C=Cc1cc(ccc1Br)F)CCF 1458a_100102525183_100011217306 [0,2,0,0,0,0|2,0,0]=4 5710 B15R1.3858 O=C(C=Cc1cc(ccc1Br)F)CCO 1458a_100102525183_100000211926 [0,2,0,0,0,0|2,0,0]=4 5711 B15R1.3858 O=C(C=Cc1cc(ccc1Br)I)CCBr 6a_100010185652_100011261029 [0,2,0,0,0,0|2,0,0]=4 5712 B15R1.3858 O=C(C=Cc1cc(ccc1Br)I)CCCl 6a_100010185652_100000053229 [0,2,0,0,0,0|2,0,0]=4 5713 B15R1.3858 O=C(C=Cc1cc(ccc1Cl)Cl)CCF 1458a_100000234794_100011217306 [0,2,0,0,0,0|2,0,0]=4 5714 B15R1.3858 O=C(C=Cc1cc(ccc1Cl)Cl)CCO 1458a_100000234794_100000211926 [0,2,0,0,0,0|2,0,0]=4 5715 B15R1.3858 O=C(C=Cc1cc(ccc1Cl)I)CCBr 6a_100010254384_100011261029 [0,2,0,0,0,0|2,0,0]=4 5716 B15R1.3858 O=C(C=Cc1cc(ccc1Cl)I)CCCl 6a_100010254384_100000053229 [0,2,0,0,0,0|2,0,0]=4 5717 B15R1.3858 O=C(C=Cc1cc(ccc1F)Br)CCBr 6a_100000211465_100011261029 [0,2,0,0,0,0|2,0,0]=4 5718 B15R1.3858 O=C(C=Cc1cc(ccc1F)Br)CCCl 6a_100000211465_100000053229 [0,2,0,0,0,0|2,0,0]=4 5719 B15R1.3858 O=C(C=Cc1cc(ccc1F)Br)CCF 1458a_100000718207_100011217306 [0,2,0,0,0,0|2,0,0]=4 5720 B15R1.3858 O=C(C=Cc1cc(ccc1F)Br)CCO 1458a_100000718207_100000211926 [0,2,0,0,0,0|2,0,0]=4 5721 B15R1.3858 O=C(C=Cc1cc(ccc1F)Cl)CCBr 6a_100000745245_100011261029 [0,2,0,0,0,0|2,0,0]=4 5722 B15R1.3858 O=C(C=Cc1cc(ccc1F)Cl)CCCl 6a_100000745245_100000053229 [0,2,0,0,0,0|2,0,0]=4 5723 B15R1.3858 O=C(C=Cc1cc(ccc1F)F)CCBr 6a_100000740046_100011261029 [0,2,0,0,0,0|2,0,0]=4 5724 B15R1.3858 O=C(C=Cc1cc(ccc1F)F)CCCl 6a_100000740046_100000053229 [0,2,0,0,0,0|2,0,0]=4 5725 B15R1.3858 O=C(C=Cc1cc(ccc1F)F)CCF 1458a_100000744626_100011217306 [0,2,0,0,0,0|2,0,0]=4 5726 B15R1.3858 O=C(C=Cc1cc(ccc1F)F)CCO 1458a_100000744626_100000211926 [0,2,0,0,0,0|2,0,0]=4 5727 B15R1.3858 O=C(C=Cc1cc(ccc1F)I)CCBr 6a_100000050626_100011261029 [0,2,0,0,0,0|2,0,0]=4 5728 B15R1.3858 O=C(C=Cc1cc(ccc1F)I)CCCl 6a_100000050626_100000053229 [0,2,0,0,0,0|2,0,0]=4 5729 B15R1.3858 O=C(C=Cc1cc(ccc1I)Br)CCBr 6a_100010185651_100011261029 [0,2,0,0,0,0|2,0,0]=4 5730 B15R1.3858 O=C(C=Cc1cc(ccc1I)Br)CCCl 6a_100010185651_100000053229 [0,2,0,0,0,0|2,0,0]=4 5731 B15R1.3858 O=C(C=Cc1cc(ccc1I)Cl)CCBr 6a_100010254386_100011261029 [0,2,0,0,0,0|2,0,0]=4 5732 B15R1.3858 O=C(C=Cc1cc(ccc1I)Cl)CCCl 6a_100010254386_100000053229 [0,2,0,0,0,0|2,0,0]=4 5733 B15R1.3858 O=C(C=Cc1cc(ccc1I)F)CCBr 6a_100010186294_100011261029 [0,2,0,0,0,0|2,0,0]=4 5734 B15R1.3858 O=C(C=Cc1cc(ccc1I)F)CCCl 6a_100010186294_100000053229 [0,2,0,0,0,0|2,0,0]=4 5735 B15R1.3858 O=C(C=Cc1cc(ccc1I)O)CCBr 6a_100000069132_100011261029 [0,2,0,0,0,0|2,0,0]=4 5736 B15R1.3858 O=C(C=Cc1cc(ccc1I)O)CCCl 6a_100000069132_100000053229 [0,2,0,0,0,0|2,0,0]=4 5737 B15R1.3858 O=C(C=Cc1cc(ccc1O)I)CCBr 6a_100011215628_100011261029 [0,2,0,0,0,0|2,0,0]=4 5738 B15R1.3858 O=C(C=Cc1cc(ccc1O)I)CCCl 6a_100011215628_100000053229 [0,2,0,0,0,0|2,0,0]=4 5739 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000748629 [0,2,0,0,0,0|1,0,1]=4 5740 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000748629 [0,2,0,0,0,0|1,0,1]=4 5741 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000748629 [0,2,0,0,0,0|1,0,1]=4 5742 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000748629 [0,2,0,0,0,0|1,0,1]=4 5743 B15R1.8263 C=C(C)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000748629 [0,2,0,0,0,0|1,0,1]=4 5744 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210624 [0,2,0,0,0,0|1,0,0]=3 5745 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210624 [0,2,0,0,0,0|1,0,0]=3 5746 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210624 [0,2,0,0,0,0|1,0,0]=3 5747 B15R1.8263 CC(C)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210624 [0,2,0,0,0,0|1,0,0]=3 5748 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Br 11a_100138425928_100016258244 [0,2,0,0,0,0|1,0,0]=3 5749 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Br 1626a_100138425928_100016258244 [0,2,0,0,0,0|1,0,0]=3 5750 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Br 240690a_100138425928_100016258244 [0,2,0,0,0,0|1,0,0]=3 5751 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl 11a_100138425928_100000184502 [0,2,0,0,0,0|1,0,0]=3 5752 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100138425928_100000184502 [0,2,0,0,0,0|1,0,0]=3 5753 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100138425928_100000184502 [0,2,0,0,0,0|1,0,0]=3 5754 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)F 11a_100138425928_100000718793 [0,2,0,0,0,0|1,0,0]=3 5755 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)F 1626a_100138425928_100000718793 [0,2,0,0,0,0|1,0,0]=3 5756 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)F 240690a_100138425928_100000718793 [0,2,0,0,0,0|1,0,0]=3 5757 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)I 11a_100138425928_100020647043 [0,2,0,0,0,0|1,0,0]=3 5758 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)I 1626a_100138425928_100020647043 [0,2,0,0,0,0|1,0,0]=3 5759 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)I 240690a_100138425928_100020647043 [0,2,0,0,0,0|1,0,0]=3 5760 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)Br 34a_100000210019_100011215430 [0,2,0,0,0,0|1,0,1]=4 5761 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)Cl 34a_100000185859_100011215430 [0,2,0,0,0,0|1,0,1]=4 5762 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)F 34a_100000210047_100011215430 [0,2,0,0,0,0|1,0,1]=4 5763 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)I 34a_100000211102_100011215430 [0,2,0,0,0,0|1,0,1]=4 5764 B15R1.8263 CC(C)OC(=O)CNc1cccc(c1)O 34a_100000210217_100011215430 [0,2,0,0,0,0|1,0,1]=4 5765 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Br 34a_100000210342_100011215430 [0,2,0,0,0,0|1,0,1]=4 5766 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Br 7a_100000210342_100011215430 [0,2,0,0,0,0|1,0,1]=4 5767 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Cl 34a_100000210295_100011215430 [0,2,0,0,0,0|1,0,1]=4 5768 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)Cl 7a_100000210295_100011215430 [0,2,0,0,0,0|1,0,1]=4 5769 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)F 34a_100000210426_100011215430 [0,2,0,0,0,0|1,0,1]=4 5770 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)F 7a_100000210426_100011215430 [0,2,0,0,0,0|1,0,1]=4 5771 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)I 34a_100000211634_100011215430 [0,2,0,0,0,0|1,0,1]=4 5772 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)I 7a_100000211634_100011215430 [0,2,0,0,0,0|1,0,1]=4 5773 B15R1.8263 CC(C)OC(=O)COc1cccc(c1)N 34a_100000210217_100011215430 [0,2,0,0,0,0|1,0,1]=4 5774 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Br 62a_100000691529_100011215430 [0,2,0,0,0,0|1,0,1]=4 5775 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Br 62a_100011215430_100000691529 [0,2,0,0,0,0|1,0,1]=4 5776 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Cl 62a_100000699651_100011215430 [0,2,0,0,0,0|1,0,1]=4 5777 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)Cl 62a_100011215430_100000699651 [0,2,0,0,0,0|1,0,1]=4 5778 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)F 62a_100000685547_100011215430 [0,2,0,0,0,0|1,0,1]=4 5779 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)F 62a_100011215430_100000685547 [0,2,0,0,0,0|1,0,1]=4 5780 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)N 62a_100000210019_100011215430 [0,2,0,0,0,0|1,0,1]=4 5781 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)N 62a_100011215430_100000210019 [0,2,0,0,0,0|1,0,1]=4 5782 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)O 62a_100011215430_100000211634 [0,2,0,0,0,0|1,0,1]=4 5783 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)[S] 62a_100011215430_114929384022 [0,2,0,0,0,0|1,0,1]=4 5784 B15R1.8263 CC(C)OC(=O)CSc1cccc(c1)[S] 62a_114929384022_100011215430 [0,2,0,0,0,0|1,0,1]=4 5785 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011218427 [0,2,0,0,0,0|1,0,0]=3 5786 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011218427 [0,2,0,0,0,0|1,0,0]=3 5787 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011218427 [0,2,0,0,0,0|1,0,0]=3 5788 B15R1.8263 CC(O)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011218427 [0,2,0,0,0,0|1,0,0]=3 5789 B15R1.8263 Cc1cccc(c1)C=CC(=O)CC(C)C 1458a_100000690095_100000210624 [0,2,0,0,0,0|1,0,0]=3 5790 B15R1.8263 Cc1cccc(c1)C=CC(=O)CC(C)O 1458a_100000690095_100011218427 [0,2,0,0,0,0|1,0,0]=3 5791 B15R1.8263 Cc1cccc(c1)C=CC(=O)CC(F)F 1458a_100000690095_100011934356 [0,2,0,0,0,0|2,0,0]=4 5792 B15R1.8263 Cc1cccc(c1)C=CC(=O)NC(C)C 11a_100138425928_100000690095 [0,2,0,0,0,0|1,0,0]=3 5793 B15R1.8263 Cc1cccc(c1)C=CC(=O)NC(C)C 1626a_100138425928_100000690095 [0,2,0,0,0,0|1,0,0]=3 5794 B15R1.8263 Cc1cccc(c1)C=CC(=O)NC(C)C 240690a_100138425928_100000690095 [0,2,0,0,0,0|1,0,0]=3 5795 B15R1.8263 Cc1cccc(c1)NCC(=O)OC(C)C 2230a_100000188690_100011215430 [0,2,0,0,0,0|1,0,1]=4 5796 B15R1.8263 Cc1cccc(c1)NCC(=O)OC(C)C 34a_100000188690_100011215430 [0,2,0,0,0,0|1,0,1]=4 5797 B15R1.8263 Cc1cccc(c1)OCC(=O)OC(C)C 34a_100000210337_100011215430 [0,2,0,0,0,0|1,0,1]=4 5798 B15R1.8263 Cc1cccc(c1)OCC(=O)OC(C)C 7a_100000210337_100011215430 [0,2,0,0,0,0|1,0,1]=4 5799 B15R1.8263 Cc1cccc(c1)SCC(=O)OC(C)C 62a_100011215228_100011215430 [0,2,0,0,0,0|1,0,1]=4 5800 B15R1.8263 Cc1cccc(c1)SCC(=O)OC(C)C 62a_100011215430_100011215228 [0,2,0,0,0,0|1,0,1]=4 5801 B15R1.8263 O=C(C=Cc1cccc(c1)Br)CC(F)F 1458a_100016258244_100011934356 [0,2,0,0,0,0|2,0,0]=4 5802 B15R1.8263 O=C(C=Cc1cccc(c1)Cl)CC(F)F 1458a_100000184502_100011934356 [0,2,0,0,0,0|2,0,0]=4 5803 B15R1.8263 O=C(C=Cc1cccc(c1)F)CC(F)F 1458a_100000718793_100011934356 [0,2,0,0,0,0|2,0,0]=4 5804 B15R1.8263 O=C(C=Cc1cccc(c1)I)CC(F)F 1458a_100020647043_100011934356 [0,2,0,0,0,0|2,0,0]=4 5805 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100011215381 [0,2,0,0,0,0|1,0,0]=3 5806 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100011215381 [0,2,0,0,0,0|1,0,0]=3 5807 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100011215381 [0,2,0,0,0,0|1,0,0]=3 5808 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100011215381 [0,2,0,0,0,0|1,0,0]=3 5809 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100011215381 [0,2,0,0,0,0|1,0,0]=3 5810 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100000210303 [0,2,0,0,0,0|1,0,0]=3 5811 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100011215381 [0,2,0,0,0,0|1,0,0]=3 5812 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100011215381 [0,2,0,0,0,0|1,0,0]=3 5813 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000210303 [0,2,0,0,0,0|1,0,0]=3 5814 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100011215381 [0,2,0,0,0,0|1,0,0]=3 5815 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000210303 [0,2,0,0,0,0|1,0,0]=3 5816 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100011215381 [0,2,0,0,0,0|1,0,0]=3 5817 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100011215381 [0,2,0,0,0,0|1,0,0]=3 5818 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100000210303 [0,2,0,0,0,0|1,0,0]=3 5819 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100011215381 [0,2,0,0,0,0|1,0,0]=3 5820 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000210303 [0,2,0,0,0,0|1,0,0]=3 5821 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100011215381 [0,2,0,0,0,0|1,0,0]=3 5822 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100011215381 [0,2,0,0,0,0|1,0,0]=3 5823 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100011215381 [0,2,0,0,0,0|1,0,0]=3 5824 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100011215381 [0,2,0,0,0,0|1,0,0]=3 5825 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100011215381 [0,2,0,0,0,0|1,0,0]=3 5826 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100011215381 [0,2,0,0,0,0|1,0,0]=3 5827 B15R1.9720 CCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100011215381 [0,2,0,0,0,0|1,0,0]=3 5828 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)C)C 11a_100015525214_100016257640 [0,2,0,0,0,0|1,0,0]=3 5829 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100015525214_100016257640 [0,2,0,0,0,0|1,0,0]=3 5830 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100015525214_100000234795 [0,2,0,0,0,0|1,0,0]=3 5831 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100015525214_100000234795 [0,2,0,0,0,0|1,0,0]=3 5832 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100015525214_100012349021 [0,2,0,0,0,0|1,0,0]=3 5833 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100015525214_100012349021 [0,2,0,0,0,0|1,0,0]=3 5834 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)F)C 11a_100015525214_100102526130 [0,2,0,0,0,0|1,0,0]=3 5835 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100015525214_100102526130 [0,2,0,0,0,0|1,0,0]=3 5836 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)F)F 11a_100015525214_100015207409 [0,2,0,0,0,0|1,0,0]=3 5837 B15R1.9720 CCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100015525214_100015207409 [0,2,0,0,0,0|1,0,0]=3 5838 B15R1.9720 CCOC(=O)C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100010199719_100000015670 [0,2,0,0,0,0|2,0,0]=4 5839 B15R1.9720 CCOC(=O)C=Cc1cc([nH]c(=O)c1)C 271570a_100010199719_100009861981 [0,2,0,0,0,0|1,0,0]=3 5840 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Br)Br 271570a_100010199719_100009814770 [0,2,0,0,0,0|0,0,0]=2 5841 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Br)Cl 271570a_100010199719_100009814755 [0,2,0,0,0,0|0,0,0]=2 5842 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Br)F 271570a_100010199719_100009814764 [0,2,0,0,0,0|0,0,0]=2 5843 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Br)N 271570a_100010199719_100009814763 [0,2,0,0,0,0|0,0,0]=2 5844 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Br)O 271570a_100010199719_100010068917 [0,2,0,0,0,0|0,0,0]=2 5845 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)C)C 271570a_100010199719_100011215608 [0,2,0,0,0,0|0,0,0]=2 5846 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Cl)C 271570a_100010199719_100010172791 [0,2,0,0,0,0|0,0,0]=2 5847 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Cl)Cl 271570a_100010199719_100000747138 [0,2,0,0,0,0|0,0,0]=2 5848 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Cl)F 271570a_100010199719_100013859453 [0,2,0,0,0,0|0,0,0]=2 5849 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Cl)N 271570a_100010199719_100010147676 [0,2,0,0,0,0|0,0,0]=2 5850 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)Cl)O 271570a_100010199719_100010068924 [0,2,0,0,0,0|0,0,0]=2 5851 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)F)C 271570a_100010199719_100011356977 [0,2,0,0,0,0|0,0,0]=2 5852 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)F)F 271570a_100010199719_100011218498 [0,2,0,0,0,0|0,0,0]=2 5853 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)F)N 271570a_100010199719_100011356972 [0,2,0,0,0,0|0,0,0]=2 5854 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)F)O 271570a_100010199719_100000717995 [0,2,0,0,0,0|0,0,0]=2 5855 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)N)C 271570a_100010199719_100000695972 [0,2,0,0,0,0|0,0,0]=2 5856 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)N)N 271570a_100010199719_100011999608 [0,2,0,0,0,0|0,0,0]=2 5857 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)O)C 271570a_100010199719_100011999630 [0,2,0,0,0,0|0,0,0]=2 5858 B15R1.9720 CCOC(=O)C=Cc1cc(cc(c1)O)O 271570a_100010199719_100009868816 [0,2,0,0,0,0|0,0,0]=2 5859 B15R1.9720 CCOC(=O)C=Cc1cc(cc(n1)C)C 271570a_100010199719_100000069240 [0,2,0,0,0,0|1,0,0]=3 5860 B15R1.9720 CCOC(=O)C=Cc1cc(cc(n1)F)C 271570a_100010199719_100009819601 [0,2,0,0,0,0|1,0,0]=3 5861 B15R1.9720 CCOC(=O)C=Cc1cc(cc(n1)N)C 271570a_100010199719_100009819863 [0,2,0,0,0,0|1,0,0]=3 5862 B15R1.9720 CCOC(=O)C=Cc1cc(nc(c1)C)C 271570a_100010199719_100009816552 [0,2,0,0,0,0|1,0,0]=3 5863 B15R1.9720 CCOC(=O)C=Cc1cc(nc(c1)F)C 271570a_100010199719_100010006595 [0,2,0,0,0,0|1,0,0]=3 5864 B15R1.9720 CCOC(=O)C=Cc1cc(nc(c1)F)F 271570a_100010199719_100000049587 [0,2,0,0,0,0|1,0,0]=3 5865 B15R1.9720 CCOC(=O)C=Cc1cc(nc(c1)N)C 271570a_100010199719_100000076705 [0,2,0,0,0,0|1,0,0]=3 5866 B15R1.9720 CCOC(=O)C=Cc1cc(nc(c1)N)N 271570a_100010199719_100009816676 [0,2,0,0,0,0|1,0,0]=3 5867 B15R1.9720 CCOC(=O)C=Cc1cc(nc(n1)C)C 271570a_100010199719_100000736142 [0,2,0,0,0,0|2,0,0]=4 5868 B15R1.9720 CCOC(=O)C=Cc1cc(nc(n1)C)N 271570a_100010199719_100012178882 [0,2,0,0,0,0|2,0,0]=4 5869 B15R1.9720 CCOC(=O)C=Cc1cc(nc(n1)C)O 271570a_100010199719_106741647437 [0,2,0,0,0,0|2,0,0]=4 5870 B15R1.9720 CCOC(=O)C=Cc1cc(nc(n1)N)C 271570a_100010199719_100000183061 [0,2,0,0,0,0|2,0,0]=4 5871 B15R1.9720 CCOC(=O)C=Cc1cc(nc(n1)N)N 271570a_100010199719_100011177858 [0,2,0,0,0,0|2,0,0]=4 5872 B15R1.9720 CCOC(=O)C=Cc1cc(nc(n1)N)O 271570a_100010199719_100000694715 [0,2,0,0,0,0|2,0,0]=4 5873 B15R1.9720 CCOC(=O)C=Cc1nc(cc(n1)C)C 271570a_100010199719_100000736147 [0,2,0,0,0,0|2,0,0]=4 5874 B15R1.9720 CCOC(=O)C=Cc1nc(cc(n1)N)C 271570a_100010199719_100000687285 [0,2,0,0,0,0|2,0,0]=4 5875 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000188475 [0,2,0,0,0,0|1,0,1]=4 5876 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000188475 [0,2,0,0,0,0|1,0,1]=4 5877 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)C 34a_100000695972_100000188475 [0,2,0,0,0,0|1,0,1]=4 5878 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)C 7a_100000695972_100000188475 [0,2,0,0,0,0|1,0,1]=4 5879 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000188475 [0,2,0,0,0,0|1,0,1]=4 5880 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000188475 [0,2,0,0,0,0|1,0,1]=4 5881 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)F 34a_100000705686_100000188475 [0,2,0,0,0,0|1,0,1]=4 5882 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Br)F 7a_100000705686_100000188475 [0,2,0,0,0,0|1,0,1]=4 5883 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)C)C 2230a_100000210930_100000188475 [0,2,0,0,0,0|1,0,1]=4 5884 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)C)C 34a_100000210930_100000188475 [0,2,0,0,0,0|1,0,1]=4 5885 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)C)C 7a_100000210930_100000188475 [0,2,0,0,0,0|1,0,1]=4 5886 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)C 2230a_100012022512_100000188475 [0,2,0,0,0,0|1,0,1]=4 5887 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)C 34a_100012022512_100000188475 [0,2,0,0,0,0|1,0,1]=4 5888 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)C 7a_100012022512_100000188475 [0,2,0,0,0,0|1,0,1]=4 5889 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000188475 [0,2,0,0,0,0|1,0,1]=4 5890 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000188475 [0,2,0,0,0,0|1,0,1]=4 5891 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)F 34a_100000686136_100000188475 [0,2,0,0,0,0|1,0,1]=4 5892 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000188475 [0,2,0,0,0,0|1,0,1]=4 5893 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000188475 [0,2,0,0,0,0|1,0,1]=4 5894 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000188475 [0,2,0,0,0,0|1,0,1]=4 5895 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)F)C 2230a_100000742734_100000188475 [0,2,0,0,0,0|1,0,1]=4 5896 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)F)C 34a_100000742734_100000188475 [0,2,0,0,0,0|1,0,1]=4 5897 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)F)C 7a_100000742734_100000188475 [0,2,0,0,0,0|1,0,1]=4 5898 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)F)F 34a_100000233717_100000188475 [0,2,0,0,0,0|1,0,1]=4 5899 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)F)F 7a_100000233717_100000188475 [0,2,0,0,0,0|1,0,1]=4 5900 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)I)Br 7a_100009814763_100000188475 [0,2,0,0,0,0|1,0,1]=4 5901 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000188475 [0,2,0,0,0,0|1,0,1]=4 5902 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)I)F 34a_100011356972_100000188475 [0,2,0,0,0,0|1,0,1]=4 5903 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)I)F 7a_100011356972_100000188475 [0,2,0,0,0,0|1,0,1]=4 5904 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)I)I 7a_200000696836_100000188475 [0,2,0,0,0,0|1,0,1]=4 5905 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)O)C 34a_100011995906_100000188475 [0,2,0,0,0,0|1,0,1]=4 5906 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)O)C 7a_100011995906_100000188475 [0,2,0,0,0,0|1,0,1]=4 5907 B15R1.9720 CCOC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000188475 [0,2,0,0,0,0|1,0,1]=4 5908 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)Br 34a_100010167048_100000188475 [0,2,0,0,0,0|1,0,1]=4 5909 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)Br 7a_100010167048_100000188475 [0,2,0,0,0,0|1,0,1]=4 5910 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)C 34a_100011999630_100000188475 [0,2,0,0,0,0|1,0,1]=4 5911 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)C 7a_100011999630_100000188475 [0,2,0,0,0,0|1,0,1]=4 5912 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000188475 [0,2,0,0,0,0|1,0,1]=4 5913 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000188475 [0,2,0,0,0,0|1,0,1]=4 5914 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)F 34a_100000688818_100000188475 [0,2,0,0,0,0|1,0,1]=4 5915 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Br)F 7a_100000688818_100000188475 [0,2,0,0,0,0|1,0,1]=4 5916 B15R1.9720 CCOC(=O)COc1cc(cc(c1)C)C 34a_100000210933_100000188475 [0,2,0,0,0,0|1,0,1]=4 5917 B15R1.9720 CCOC(=O)COc1cc(cc(c1)C)C 7a_100000210933_100000188475 [0,2,0,0,0,0|1,0,1]=4 5918 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)C 34a_100000087485_100000188475 [0,2,0,0,0,0|1,0,1]=4 5919 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)C 7a_100000087485_100000188475 [0,2,0,0,0,0|1,0,1]=4 5920 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000188475 [0,2,0,0,0,0|1,0,1]=4 5921 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000188475 [0,2,0,0,0,0|1,0,1]=4 5922 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)F 34a_100011219751_100000188475 [0,2,0,0,0,0|1,0,1]=4 5923 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)F 7a_100011219751_100000188475 [0,2,0,0,0,0|1,0,1]=4 5924 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)N 34a_100000123917_100000188475 [0,2,0,0,0,0|1,0,1]=4 5925 B15R1.9720 CCOC(=O)COc1cc(cc(c1)Cl)N 7a_100000123917_100000188475 [0,2,0,0,0,0|1,0,1]=4 5926 B15R1.9720 CCOC(=O)COc1cc(cc(c1)F)C 34a_100011830401_100000188475 [0,2,0,0,0,0|1,0,1]=4 5927 B15R1.9720 CCOC(=O)COc1cc(cc(c1)F)C 7a_100011830401_100000188475 [0,2,0,0,0,0|1,0,1]=4 5928 B15R1.9720 CCOC(=O)COc1cc(cc(c1)F)F 34a_100000747503_100000188475 [0,2,0,0,0,0|1,0,1]=4 5929 B15R1.9720 CCOC(=O)COc1cc(cc(c1)F)F 7a_100000747503_100000188475 [0,2,0,0,0,0|1,0,1]=4 5930 B15R1.9720 CCOC(=O)COc1cc(cc(c1)F)O 271570a_203496583355_100012888558 [0,2,0,0,0,0|1,0,1]=4 5931 B15R1.9720 CCOC(=O)COc1cc(cc(c1)I)Br 34a_100010068917_100000188475 [0,2,0,0,0,0|1,0,1]=4 5932 B15R1.9720 CCOC(=O)COc1cc(cc(c1)I)Br 7a_100010068917_100000188475 [0,2,0,0,0,0|1,0,1]=4 5933 B15R1.9720 CCOC(=O)COc1cc(cc(c1)I)Cl 34a_100010068924_100000188475 [0,2,0,0,0,0|1,0,1]=4 5934 B15R1.9720 CCOC(=O)COc1cc(cc(c1)I)Cl 7a_100010068924_100000188475 [0,2,0,0,0,0|1,0,1]=4 5935 B15R1.9720 CCOC(=O)COc1cc(cc(c1)I)F 34a_100000717995_100000188475 [0,2,0,0,0,0|1,0,1]=4 5936 B15R1.9720 CCOC(=O)COc1cc(cc(c1)I)F 7a_100000717995_100000188475 [0,2,0,0,0,0|1,0,1]=4 5937 B15R1.9720 CCOC(=O)COc1cc(cc(c1)N)C 34a_100011995906_100000188475 [0,2,0,0,0,0|1,0,1]=4 5938 B15R1.9720 CCOC(=O)COc1cc(cc(c1)N)C 7a_100011995906_100000188475 [0,2,0,0,0,0|1,0,1]=4 5939 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)Br 62a_100000188475_100009814770 [0,2,0,0,0,0|1,0,1]=4 5940 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000188475 [0,2,0,0,0,0|1,0,1]=4 5941 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)Cl 62a_100000188475_100009814755 [0,2,0,0,0,0|1,0,1]=4 5942 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000188475 [0,2,0,0,0,0|1,0,1]=4 5943 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)F 62a_100000188475_100009814764 [0,2,0,0,0,0|1,0,1]=4 5944 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)F 62a_100009814764_100000188475 [0,2,0,0,0,0|1,0,1]=4 5945 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)N 62a_100000188475_100009814763 [0,2,0,0,0,0|1,0,1]=4 5946 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)N 62a_100009814763_100000188475 [0,2,0,0,0,0|1,0,1]=4 5947 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)O 62a_100000188475_100010068917 [0,2,0,0,0,0|1,0,1]=4 5948 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Br)O 62a_100010068917_100000188475 [0,2,0,0,0,0|1,0,1]=4 5949 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)C)C 62a_100000188475_100011215608 [0,2,0,0,0,0|1,0,1]=4 5950 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)C)C 62a_100011215608_100000188475 [0,2,0,0,0,0|1,0,1]=4 5951 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)C 62a_100000188475_100010172791 [0,2,0,0,0,0|1,0,1]=4 5952 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)C 62a_100010172791_100000188475 [0,2,0,0,0,0|1,0,1]=4 5953 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000188475_100000747138 [0,2,0,0,0,0|1,0,1]=4 5954 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000188475 [0,2,0,0,0,0|1,0,1]=4 5955 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)F 62a_100000188475_100013859453 [0,2,0,0,0,0|1,0,1]=4 5956 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000188475 [0,2,0,0,0,0|1,0,1]=4 5957 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)N 62a_100000188475_100010147676 [0,2,0,0,0,0|1,0,1]=4 5958 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000188475 [0,2,0,0,0,0|1,0,1]=4 5959 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100000188475_100010068924 [0,2,0,0,0,0|1,0,1]=4 5960 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000188475 [0,2,0,0,0,0|1,0,1]=4 5961 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)C 62a_100000188475_100011356977 [0,2,0,0,0,0|1,0,1]=4 5962 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)C 62a_100011356977_100000188475 [0,2,0,0,0,0|1,0,1]=4 5963 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)F 62a_100000188475_100000233788 [0,2,0,0,0,0|1,0,1]=4 5964 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)F 62a_100000233788_100000188475 [0,2,0,0,0,0|1,0,1]=4 5965 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)N 62a_100000188475_100011356972 [0,2,0,0,0,0|1,0,1]=4 5966 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)N 62a_100011356972_100000188475 [0,2,0,0,0,0|1,0,1]=4 5967 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)O 62a_100000188475_100000688818 [0,2,0,0,0,0|1,0,1]=4 5968 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)F)O 62a_100000688818_100000188475 [0,2,0,0,0,0|1,0,1]=4 5969 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)N)C 62a_100000188475_100000695972 [0,2,0,0,0,0|1,0,1]=4 5970 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)N)C 62a_100000695972_100000188475 [0,2,0,0,0,0|1,0,1]=4 5971 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)N)N 62a_100000188475_100011999608 [0,2,0,0,0,0|1,0,1]=4 5972 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)N)N 62a_100011999608_100000188475 [0,2,0,0,0,0|1,0,1]=4 5973 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)O)C 62a_100000188475_100011999630 [0,2,0,0,0,0|1,0,1]=4 5974 B15R1.9720 CCOC(=O)CSc1cc(cc(c1)O)O 62a_100000188475_100009868816 [0,2,0,0,0,0|1,0,1]=4 5975 B15R1.9720 CNNC(=O)C=Cc1cc(cc(c1)C)C 22a_100016993582_100016257640 [0,2,0,0,0,0|2,0,0]=4 5976 B15R1.9720 CNNC(=O)C=Cc1cc(cc(c1)Cl)Cl 22a_100016993582_100000234795 [0,2,0,0,0,0|2,0,0]=4 5977 B15R1.9720 CNNC(=O)C=Cc1cc(cc(c1)Cl)F 22a_100016993582_100012349021 [0,2,0,0,0,0|2,0,0]=4 5978 B15R1.9720 CNNC(=O)C=Cc1cc(cc(c1)F)C 22a_100016993582_100102526130 [0,2,0,0,0,0|2,0,0]=4 5979 B15R1.9720 CNNC(=O)C=Cc1cc(cc(c1)F)F 22a_100016993582_100015207409 [0,2,0,0,0,0|2,0,0]=4 5980 B15R1.9720 CNNC(=O)C=Cc1cc(cc(c1)O)O 22a_100016993582_200016280741 [0,2,0,0,0,0|2,0,0]=4 5981 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100000211753 [0,2,0,0,0,0|2,0,0]=4 5982 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100000211753 [0,2,0,0,0,0|2,0,0]=4 5983 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100000211753 [0,2,0,0,0,0|2,0,0]=4 5984 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100000211753 [0,2,0,0,0,0|2,0,0]=4 5985 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100000211753 [0,2,0,0,0,0|2,0,0]=4 5986 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100000211753 [0,2,0,0,0,0|2,0,0]=4 5987 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100000211753 [0,2,0,0,0,0|2,0,0]=4 5988 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100000211753 [0,2,0,0,0,0|2,0,0]=4 5989 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100000211753 [0,2,0,0,0,0|2,0,0]=4 5990 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100000211753 [0,2,0,0,0,0|2,0,0]=4 5991 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100000211753 [0,2,0,0,0,0|2,0,0]=4 5992 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100000211753 [0,2,0,0,0,0|2,0,0]=4 5993 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100000211753 [0,2,0,0,0,0|2,0,0]=4 5994 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100000211753 [0,2,0,0,0,0|2,0,0]=4 5995 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100000211753 [0,2,0,0,0,0|2,0,0]=4 5996 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100000211753 [0,2,0,0,0,0|2,0,0]=4 5997 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100000211753 [0,2,0,0,0,0|2,0,0]=4 5998 B15R1.9720 COCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100000211753 [0,2,0,0,0,0|2,0,0]=4 5999 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100011216314 [0,2,0,0,0,0|2,0,0]=4 6000 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100011216314 [0,2,0,0,0,0|2,0,0]=4 6001 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100011216314 [0,2,0,0,0,0|2,0,0]=4 6002 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100011216314 [0,2,0,0,0,0|2,0,0]=4 6003 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100011216314 [0,2,0,0,0,0|2,0,0]=4 6004 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100011216314 [0,2,0,0,0,0|2,0,0]=4 6005 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100011216314 [0,2,0,0,0,0|2,0,0]=4 6006 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100011216314 [0,2,0,0,0,0|2,0,0]=4 6007 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100011216314 [0,2,0,0,0,0|2,0,0]=4 6008 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100011216314 [0,2,0,0,0,0|2,0,0]=4 6009 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100011216314 [0,2,0,0,0,0|2,0,0]=4 6010 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100011216314 [0,2,0,0,0,0|2,0,0]=4 6011 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100011216314 [0,2,0,0,0,0|2,0,0]=4 6012 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100011216314 [0,2,0,0,0,0|2,0,0]=4 6013 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100011216314 [0,2,0,0,0,0|2,0,0]=4 6014 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100011216314 [0,2,0,0,0,0|2,0,0]=4 6015 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100011216314 [0,2,0,0,0,0|2,0,0]=4 6016 B15R1.9720 CSCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100011216314 [0,2,0,0,0,0|2,0,0]=4 6017 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCBr)Br 6a_100000686105_100011261029 [0,2,0,0,0,0|2,0,0]=4 6018 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCBr)C 6a_100000745632_100011261029 [0,2,0,0,0,0|2,0,0]=4 6019 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCBr)Cl 6a_100000684525_100011261029 [0,2,0,0,0,0|2,0,0]=4 6020 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCBr)F 6a_100011217087_100011261029 [0,2,0,0,0,0|2,0,0]=4 6021 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCBr)O 6a_100009853434_100011261029 [0,2,0,0,0,0|2,0,0]=4 6022 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCCl)Br 6a_100000686105_100000053229 [0,2,0,0,0,0|2,0,0]=4 6023 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCCl)C 6a_100000745632_100000053229 [0,2,0,0,0,0|2,0,0]=4 6024 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCCl)Cl 6a_100000684525_100000053229 [0,2,0,0,0,0|2,0,0]=4 6025 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCCl)F 6a_100011217087_100000053229 [0,2,0,0,0,0|2,0,0]=4 6026 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCCl)O 6a_100009853434_100000053229 [0,2,0,0,0,0|2,0,0]=4 6027 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCF)C 1458a_100016257640_100011217306 [0,2,0,0,0,0|2,0,0]=4 6028 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCF)F 1458a_100102526130_100011217306 [0,2,0,0,0,0|2,0,0]=4 6029 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCO)C 1458a_100016257640_100000211926 [0,2,0,0,0,0|2,0,0]=4 6030 B15R1.9720 Cc1cc(cc(c1)C=CC(=O)CCO)F 1458a_100102526130_100000211926 [0,2,0,0,0,0|2,0,0]=4 6031 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)Br)CCBr 6a_100000719502_100011261029 [0,2,0,0,0,0|2,0,0]=4 6032 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)Br)CCCl 6a_100000719502_100000053229 [0,2,0,0,0,0|2,0,0]=4 6033 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)Cl)CCBr 6a_100011934515_100011261029 [0,2,0,0,0,0|2,0,0]=4 6034 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)Cl)CCCl 6a_100011934515_100000053229 [0,2,0,0,0,0|2,0,0]=4 6035 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)F)CCBr 6a_100011794424_100011261029 [0,2,0,0,0,0|2,0,0]=4 6036 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)F)CCCl 6a_100011794424_100000053229 [0,2,0,0,0,0|2,0,0]=4 6037 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)O)CCBr 6a_100010176088_100011261029 [0,2,0,0,0,0|2,0,0]=4 6038 B15R1.9720 O=C(C=Cc1cc(cc(c1)Br)O)CCCl 6a_100010176088_100000053229 [0,2,0,0,0,0|2,0,0]=4 6039 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCBr 6a_100000741761_100011261029 [0,2,0,0,0,0|2,0,0]=4 6040 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCl 6a_100000741761_100000053229 [0,2,0,0,0,0|2,0,0]=4 6041 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCF 1458a_100000234795_100011217306 [0,2,0,0,0,0|2,0,0]=4 6042 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCO 1458a_100000234795_100000211926 [0,2,0,0,0,0|2,0,0]=4 6043 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)F)CCBr 6a_100000703917_100011261029 [0,2,0,0,0,0|2,0,0]=4 6044 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)F)CCCl 6a_100000703917_100000053229 [0,2,0,0,0,0|2,0,0]=4 6045 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)F)CCF 1458a_100012349021_100011217306 [0,2,0,0,0,0|2,0,0]=4 6046 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)F)CCO 1458a_100012349021_100000211926 [0,2,0,0,0,0|2,0,0]=4 6047 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)O)CCBr 6a_100000050827_100011261029 [0,2,0,0,0,0|2,0,0]=4 6048 B15R1.9720 O=C(C=Cc1cc(cc(c1)Cl)O)CCCl 6a_100000050827_100000053229 [0,2,0,0,0,0|2,0,0]=4 6049 B15R1.9720 O=C(C=Cc1cc(cc(c1)F)F)CCBr 6a_100000743029_100011261029 [0,2,0,0,0,0|2,0,0]=4 6050 B15R1.9720 O=C(C=Cc1cc(cc(c1)F)F)CCCl 6a_100000743029_100000053229 [0,2,0,0,0,0|2,0,0]=4 6051 B15R1.9720 O=C(C=Cc1cc(cc(c1)F)F)CCF 1458a_100015207409_100011217306 [0,2,0,0,0,0|2,0,0]=4 6052 B15R1.9720 O=C(C=Cc1cc(cc(c1)F)F)CCO 1458a_100015207409_100000211926 [0,2,0,0,0,0|2,0,0]=4 6053 B15R1.9720 O=C(C=Cc1cc(cc(c1)F)O)CCBr 6a_100000703664_100011261029 [0,2,0,0,0,0|2,0,0]=4 6054 B15R1.9720 O=C(C=Cc1cc(cc(c1)F)O)CCCl 6a_100000703664_100000053229 [0,2,0,0,0,0|2,0,0]=4 6055 B15R1.9720 O=C(C=Cc1cc(cc(c1)I)Br)CCBr 6a_100010185649_100011261029 [0,2,0,0,0,0|2,0,0]=4 6056 B15R1.9720 O=C(C=Cc1cc(cc(c1)I)Br)CCCl 6a_100010185649_100000053229 [0,2,0,0,0,0|2,0,0]=4 6057 B15R1.9720 O=C(C=Cc1cc(cc(c1)I)F)CCBr 6a_100010185655_100011261029 [0,2,0,0,0,0|2,0,0]=4 6058 B15R1.9720 O=C(C=Cc1cc(cc(c1)I)F)CCCl 6a_100010185655_100000053229 [0,2,0,0,0,0|2,0,0]=4 6059 B15R1.9720 O=C(C=Cc1cc(cc(c1)I)I)CCBr 6a_100010185653_100011261029 [0,2,0,0,0,0|2,0,0]=4 6060 B15R1.9720 O=C(C=Cc1cc(cc(c1)I)I)CCCl 6a_100010185653_100000053229 [0,2,0,0,0,0|2,0,0]=4 6061 B15R1.9720 O=C(C=Cc1cc(cc(c1)O)O)CCBr 6a_100000043415_100011261029 [0,2,0,0,0,0|2,0,0]=4 6062 B15R1.9720 O=C(C=Cc1cc(cc(c1)O)O)CCCl 6a_100000043415_100000053229 [0,2,0,0,0,0|2,0,0]=4 6063 B15R1.10389 C#Cc1cccc(c1)NCC(=O)OCC 2230a_100000735509_100000188475 [0,2,0,0,0,0|1,0,1]=4 6064 B15R1.10389 C#Cc1cccc(c1)NCC(=O)OCC 34a_100000735509_100000188475 [0,2,0,0,0,0|1,0,1]=4 6065 B15R1.10389 C#Cc1cccc(c1)OCC(=O)OCC 34a_100011216014_100000188475 [0,2,0,0,0,0|1,0,1]=4 6066 B15R1.10389 C#Cc1cccc(c1)OCC(=O)OCC 7a_100011216014_100000188475 [0,2,0,0,0,0|1,0,1]=4 6067 B15R1.10389 C=Cc1cccc(c1)/C=C/C(=O)NCC 271570a_100011290941_200016266304 [0,2,0,0,0,0|1,0,0]=3 6068 B15R1.10389 C=Cc1cccc(c1)/C=C/C(=O)OCC 271570a_100011290941_200016304034 [0,2,0,0,0,0|0,0,0]=2 6069 B15R1.10389 C=Cc1cccc(c1)CCC(=O)OCC 271570a_100011290941_200000172381 [0,2,0,0,0,0|0,0,2]=4 6070 B15R1.10389 C=Cc1cccc(c1)NCC(=O)OCC 271570a_100011290941_200000219647 [0,2,0,0,0,0|1,0,1]=4 6071 B15R1.10389 C=Cc1cccc(c1)NCC(=O)OCC 34a_100011827668_100000188475 [0,2,0,0,0,0|1,0,1]=4 6072 B15R1.10389 C=Cc1cccc(c1)OCC(=O)OCC 271570a_100011290941_100000170171 [0,2,0,0,0,0|1,0,1]=4 6073 B15R1.10389 C=Cc1cccc(c1)OCC(=O)OCC 34a_100011309434_100000188475 [0,2,0,0,0,0|1,0,1]=4 6074 B15R1.10389 C=Cc1cccc(c1)OCC(=O)OCC 7a_100011309434_100000188475 [0,2,0,0,0,0|1,0,1]=4 6075 B15R1.10389 C=Cc1cccc(c1)SCC(=O)OCC 62a_100000188475_100011215241 [0,2,0,0,0,0|1,0,1]=4 6076 B15R1.10389 C=Cc1cccc(c1)SCC(=O)OCC 62a_100011215241_100000188475 [0,2,0,0,0,0|1,0,1]=4 6077 B15R1.10389 CCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000210303 [0,2,0,0,0,0|1,0,0]=3 6078 B15R1.10389 CCCC(=O)C=Cc1cncc(c1)C#N 6a_100011361567_100011215381 [0,2,0,0,0,0|2,0,0]=4 6079 B15R1.10389 CCNC(=O)/C=C/c1cccc(c1)SC 62a_200000210301_200016266304 [0,2,0,0,0,0|1,0,0]=3 6080 B15R1.10389 CCNC(=O)/C=C/c1cccc(c1)SC 62a_200016266304_200000210301 [0,2,0,0,0,0|1,0,0]=3 6081 B15R1.10389 CCNC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266304_200025704644 [0,2,0,0,0,0|1,0,0]=3 6082 B15R1.10389 CCNC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266304 [0,2,0,0,0,0|1,0,0]=3 6083 B15R1.10389 CCNC(=O)C=Cc1cccc(c1)C#N 11a_100015525214_100000738773 [0,2,0,0,0,0|1,0,0]=3 6084 B15R1.10389 CCNC(=O)C=Cc1cccc(c1)C#N 240690a_100015525214_100000738773 [0,2,0,0,0,0|1,0,0]=3 6085 B15R1.10389 CCOC(=O)/C=C/c1cccc(c1)OC 7a_200043700226_200000210301 [0,2,0,0,0,0|0,0,0]=2 6086 B15R1.10389 CCOC(=O)/C=C/c1cccc(c1)O[13CH3] 7a_200043700226_200025704644 [0,2,0,0,0,0|0,0,0]=2 6087 B15R1.10389 CCOC(=O)/C=C/c1cccc(c1)SC 62a_200000210301_200016304034 [0,2,0,0,0,0|0,0,0]=2 6088 B15R1.10389 CCOC(=O)/C=C/c1cccc(c1)SC 62a_200016304034_200000210301 [0,2,0,0,0,0|0,0,0]=2 6089 B15R1.10389 CCOC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016304034_200025704644 [0,2,0,0,0,0|0,0,0]=2 6090 B15R1.10389 CCOC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016304034 [0,2,0,0,0,0|0,0,0]=2 6091 B15R1.10389 CCOC(=O)C=Cc1cc(ccn1)C#N 271570a_100010199719_100011291639 [0,2,0,0,0,0|1,0,0]=3 6092 B15R1.10389 CCOC(=O)C=Cc1cc(ccn1)C=O 271570a_100010199719_100011290808 [0,2,0,0,0,0|1,0,0]=3 6093 B15R1.10389 CCOC(=O)C=Cc1cc(ccn1)CC 271570a_100010199719_100009817561 [0,2,0,0,0,0|1,0,0]=3 6094 B15R1.10389 CCOC(=O)C=Cc1cc(ccn1)CO 271570a_100010199719_100009814636 [0,2,0,0,0,0|1,0,0]=3 6095 B15R1.10389 CCOC(=O)C=Cc1cc(ccn1)NC 271570a_100010199719_100009869472 [0,2,0,0,0,0|1,0,0]=3 6096 B15R1.10389 CCOC(=O)C=Cc1cc(ccn1)OC 271570a_100010199719_100011216251 [0,2,0,0,0,0|1,0,0]=3 6097 B15R1.10389 CCOC(=O)C=Cc1cc(ccn1)SC 271570a_100010199719_100010883326 [0,2,0,0,0,0|1,0,0]=3 6098 B15R1.10389 CCOC(=O)C=Cc1cc(cnn1)OC 271570a_100010199719_100000087634 [0,2,0,0,0,0|2,0,0]=4 6099 B15R1.10389 CCOC(=O)C=Cc1cc(ncn1)C#N 271570a_100010199719_100000092509 [0,2,0,0,0,0|2,0,0]=4 6100 B15R1.10389 CCOC(=O)C=Cc1cc(ncn1)CC 271570a_100010199719_100000744278 [0,2,0,0,0,0|2,0,0]=4 6101 B15R1.10389 CCOC(=O)C=Cc1cc(ncn1)CO 271570a_100010199719_100000731546 [0,2,0,0,0,0|2,0,0]=4 6102 B15R1.10389 CCOC(=O)C=Cc1cc(ncn1)NC 271570a_100010199719_100000756605 [0,2,0,0,0,0|2,0,0]=4 6103 B15R1.10389 CCOC(=O)C=Cc1cc(ncn1)NN 271570a_100010199719_100000242035 [0,2,0,0,0,0|2,0,0]=4 6104 B15R1.10389 CCOC(=O)C=Cc1cc(ncn1)OC 271570a_100010199719_100012187182 [0,2,0,0,0,0|2,0,0]=4 6105 B15R1.10389 CCOC(=O)C=Cc1cc(ncn1)SC 271570a_100010199719_100011443430 [0,2,0,0,0,0|2,0,0]=4 6106 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)C#N 271570a_100010199719_100000189340 [0,2,0,0,0,0|0,0,0]=2 6107 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)C=O 271570a_100010199719_100000014684 [0,2,0,0,0,0|0,0,0]=2 6108 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)CC 271570a_100010199719_100000684523 [0,2,0,0,0,0|0,0,0]=2 6109 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)CF 271570a_100010199719_100010878472 [0,2,0,0,0,0|0,0,0]=2 6110 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)CN 271570a_100010199719_100000106179 [0,2,0,0,0,0|0,0,0]=2 6111 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)CO 271570a_100010199719_100000687537 [0,2,0,0,0,0|0,0,0]=2 6112 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)NC 271570a_100010199719_100000219648 [0,2,0,0,0,0|0,0,0]=2 6113 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)NN 271570a_100010199719_100000217339 [0,2,0,0,0,0|0,0,0]=2 6114 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)OC 271570a_100010199719_100000170001 [0,2,0,0,0,0|0,0,0]=2 6115 B15R1.10389 CCOC(=O)C=Cc1cccc(c1)SC 271570a_100010199719_100011215954 [0,2,0,0,0,0|0,0,0]=2 6116 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)C#N 271570a_100010199719_100011934037 [0,2,0,0,0,0|1,0,0]=3 6117 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)C=O 271570a_100010199719_100000688028 [0,2,0,0,0,0|1,0,0]=3 6118 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)CC 271570a_100010199719_100009856026 [0,2,0,0,0,0|1,0,0]=3 6119 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)CN 271570a_100010199719_100016990191 [0,2,0,0,0,0|1,0,0]=3 6120 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)CO 271570a_100010199719_100000694195 [0,2,0,0,0,0|1,0,0]=3 6121 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)NC 271570a_100010199719_100000703281 [0,2,0,0,0,0|1,0,0]=3 6122 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)NN 271570a_100010199719_100009817029 [0,2,0,0,0,0|1,0,0]=3 6123 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)OC 271570a_100010199719_100000760917 [0,2,0,0,0,0|1,0,0]=3 6124 B15R1.10389 CCOC(=O)C=Cc1cccc(n1)SC 271570a_100010199719_100011960944 [0,2,0,0,0,0|1,0,0]=3 6125 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)C#N 271570a_100010199719_100000685610 [0,2,0,0,0,0|1,0,0]=3 6126 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)C=O 271570a_100010199719_100011998288 [0,2,0,0,0,0|1,0,0]=3 6127 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)CC 271570a_100010199719_100009820011 [0,2,0,0,0,0|1,0,0]=3 6128 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)CN 271570a_100010199719_100000085674 [0,2,0,0,0,0|1,0,0]=3 6129 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)CO 271570a_100010199719_100009819072 [0,2,0,0,0,0|1,0,0]=3 6130 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)NC 271570a_100010199719_100009819592 [0,2,0,0,0,0|1,0,0]=3 6131 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)NN 271570a_100010199719_100000764631 [0,2,0,0,0,0|1,0,0]=3 6132 B15R1.10389 CCOC(=O)C=Cc1ccnc(c1)OC 271570a_100010199719_100000117307 [0,2,0,0,0,0|1,0,0]=3 6133 B15R1.10389 CCOC(=O)C=Cc1ccnc(n1)C#N 271570a_100010199719_100000092507 [0,2,0,0,0,0|2,0,0]=4 6134 B15R1.10389 CCOC(=O)C=Cc1ccnc(n1)NC 271570a_100010199719_100012000420 [0,2,0,0,0,0|2,0,0]=4 6135 B15R1.10389 CCOC(=O)C=Cc1ccnc(n1)OC 271570a_100010199719_100000069072 [0,2,0,0,0,0|2,0,0]=4 6136 B15R1.10389 CCOC(=O)C=Cc1ccnc(n1)SC 271570a_100010199719_100000032126 [0,2,0,0,0,0|2,0,0]=4 6137 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)C#N 271570a_100010199719_100000686085 [0,2,0,0,0,0|1,0,0]=3 6138 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)C=O 271570a_100010199719_100000687066 [0,2,0,0,0,0|1,0,0]=3 6139 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)CC 271570a_100010199719_200009819073 [0,2,0,0,0,0|1,0,0]=3 6140 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)CN 271570a_100010199719_100011249555 [0,2,0,0,0,0|1,0,0]=3 6141 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)CO 271570a_100010199719_100011259137 [0,2,0,0,0,0|1,0,0]=3 6142 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)NC 271570a_100010199719_100012184536 [0,2,0,0,0,0|1,0,0]=3 6143 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)NN 271570a_100010199719_100000727789 [0,2,0,0,0,0|1,0,0]=3 6144 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)OC 271570a_100010199719_100000684773 [0,2,0,0,0,0|1,0,0]=3 6145 B15R1.10389 CCOC(=O)C=Cc1cncc(c1)SC 271570a_100010199719_100009816972 [0,2,0,0,0,0|1,0,0]=3 6146 B15R1.10389 CCOC(=O)C=Cc1cncc(n1)C#N 271570a_100010199719_100009817212 [0,2,0,0,0,0|2,0,0]=4 6147 B15R1.10389 CCOC(=O)C=Cc1cncc(n1)CO 271570a_100010199719_100009853123 [0,2,0,0,0,0|2,0,0]=4 6148 B15R1.10389 CCOC(=O)C=Cc1cncc(n1)NC 271570a_100010199719_100011529438 [0,2,0,0,0,0|2,0,0]=4 6149 B15R1.10389 CCOC(=O)C=Cc1cncc(n1)NN 271570a_100010199719_100102525095 [0,2,0,0,0,0|2,0,0]=4 6150 B15R1.10389 CCOC(=O)C=Cc1cncc(n1)OC 271570a_100010199719_100000756030 [0,2,0,0,0,0|2,0,0]=4 6151 B15R1.10389 CCOC(=O)C=Cc1nccc(n1)C#N 271570a_100010199719_100000066186 [0,2,0,0,0,0|2,0,0]=4 6152 B15R1.10389 CCOC(=O)C=Cc1nccc(n1)CC 271570a_100010199719_100000100215 [0,2,0,0,0,0|2,0,0]=4 6153 B15R1.10389 CCOC(=O)C=Cc1nccc(n1)NC 271570a_100010199719_100011649947 [0,2,0,0,0,0|2,0,0]=4 6154 B15R1.10389 CCOC(=O)C=Cc1nccc(n1)OC 271570a_100010199719_100000182009 [0,2,0,0,0,0|2,0,0]=4 6155 B15R1.10389 CCOC(=O)C=Cc1nccc(n1)SC 271570a_100010199719_100011650323 [0,2,0,0,0,0|2,0,0]=4 6156 B15R1.10389 CCOC(=O)CCc1cccc(c1)SC 62a_200000172381_200000210301 [0,2,0,0,0,0|0,0,2]=4 6157 B15R1.10389 CCOC(=O)CCc1cccc(c1)SC 62a_200000210301_200000172381 [0,2,0,0,0,0|0,0,2]=4 6158 B15R1.10389 CCOC(=O)CCc1cccc(c1)S[13CH3] 62a_200000172381_200025704644 [0,2,0,0,0,0|0,0,2]=4 6159 B15R1.10389 CCOC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_200000172381 [0,2,0,0,0,0|0,0,2]=4 6160 B15R1.10389 CCOC(=O)CNc1cccc(c1)C#N 34a_100000210922_100000188475 [0,2,0,0,0,0|1,0,1]=4 6161 B15R1.10389 CCOC(=O)CNc1cccc(c1)C#N 7a_100000210922_100000188475 [0,2,0,0,0,0|1,0,1]=4 6162 B15R1.10389 CCOC(=O)CNc1cccc(c1)CC 2230a_100000211250_100000188475 [0,2,0,0,0,0|1,0,1]=4 6163 B15R1.10389 CCOC(=O)CNc1cccc(c1)CC 34a_100000211250_100000188475 [0,2,0,0,0,0|1,0,1]=4 6164 B15R1.10389 CCOC(=O)CNc1cccc(c1)CC 7a_100000211250_100000188475 [0,2,0,0,0,0|1,0,1]=4 6165 B15R1.10389 CCOC(=O)CNc1cccc(c1)CF 2230a_100000126320_100000188475 [0,2,0,0,0,0|1,0,1]=4 6166 B15R1.10389 CCOC(=O)CNc1cccc(c1)CF 34a_100000126320_100000188475 [0,2,0,0,0,0|1,0,1]=4 6167 B15R1.10389 CCOC(=O)CNc1cccc(c1)CF 7a_100000126320_100000188475 [0,2,0,0,0,0|1,0,1]=4 6168 B15R1.10389 CCOC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000188475 [0,2,0,0,0,0|1,0,1]=4 6169 B15R1.10389 CCOC(=O)CNc1cccc(c1)CO 34a_100000211919_100000188475 [0,2,0,0,0,0|1,0,1]=4 6170 B15R1.10389 CCOC(=O)CNc1cccc(c1)OC 34a_100000210024_100000188475 [0,2,0,0,0,0|1,0,1]=4 6171 B15R1.10389 CCOC(=O)CNc1cccc(c1)SC 2230a_100000210049_100000188475 [0,2,0,0,0,0|1,0,1]=4 6172 B15R1.10389 CCOC(=O)CNc1cccc(c1)SC 34a_100000210049_100000188475 [0,2,0,0,0,0|1,0,1]=4 6173 B15R1.10389 CCOC(=O)CNc1cccc(c1)SC 62a_200000210301_200000219647 [0,2,0,0,0,0|1,0,1]=4 6174 B15R1.10389 CCOC(=O)CNc1cccc(c1)SC 62a_200000219647_200000210301 [0,2,0,0,0,0|1,0,1]=4 6175 B15R1.10389 CCOC(=O)CNc1cccc(c1)S[13CH3] 62a_200000219647_200025704644 [0,2,0,0,0,0|1,0,1]=4 6176 B15R1.10389 CCOC(=O)CNc1cccc(c1)S[13CH3] 62a_200025704644_200000219647 [0,2,0,0,0,0|1,0,1]=4 6177 B15R1.10389 CCOC(=O)COc1cccc(c1)C#N 34a_100000184713_100000188475 [0,2,0,0,0,0|1,0,1]=4 6178 B15R1.10389 CCOC(=O)COc1cccc(c1)C#N 7a_100000184713_100000188475 [0,2,0,0,0,0|1,0,1]=4 6179 B15R1.10389 CCOC(=O)COc1cccc(c1)CBr 34a_100011660834_100000188475 [0,2,0,0,0,0|1,0,1]=4 6180 B15R1.10389 CCOC(=O)COc1cccc(c1)CBr 7a_100011660834_100000188475 [0,2,0,0,0,0|1,0,1]=4 6181 B15R1.10389 CCOC(=O)COc1cccc(c1)CC 34a_100000211550_100000188475 [0,2,0,0,0,0|1,0,1]=4 6182 B15R1.10389 CCOC(=O)COc1cccc(c1)CC 7a_100000211550_100000188475 [0,2,0,0,0,0|1,0,1]=4 6183 B15R1.10389 CCOC(=O)COc1cccc(c1)CCl 34a_100000084143_100000188475 [0,2,0,0,0,0|1,0,1]=4 6184 B15R1.10389 CCOC(=O)COc1cccc(c1)CCl 7a_100000084143_100000188475 [0,2,0,0,0,0|1,0,1]=4 6185 B15R1.10389 CCOC(=O)COc1cccc(c1)CN 34a_100000743036_100000188475 [0,2,0,0,0,0|1,0,1]=4 6186 B15R1.10389 CCOC(=O)COc1cccc(c1)CO 34a_100011214949_100000188475 [0,2,0,0,0,0|1,0,1]=4 6187 B15R1.10389 CCOC(=O)COc1cccc(c1)CO 7a_100011214949_100000188475 [0,2,0,0,0,0|1,0,1]=4 6188 B15R1.10389 CCOC(=O)COc1cccc(c1)NC 34a_100000756613_100000188475 [0,2,0,0,0,0|1,0,1]=4 6189 B15R1.10389 CCOC(=O)COc1cccc(c1)NC 7a_100000756613_100000188475 [0,2,0,0,0,0|1,0,1]=4 6190 B15R1.10389 CCOC(=O)COc1cccc(c1)OC 34a_100000211255_100000188475 [0,2,0,0,0,0|1,0,1]=4 6191 B15R1.10389 CCOC(=O)COc1cccc(c1)OC 7a_100000211255_100000188475 [0,2,0,0,0,0|1,0,1]=4 6192 B15R1.10389 CCOC(=O)COc1cccc(c1)SC 34a_100011265683_100000188475 [0,2,0,0,0,0|1,0,1]=4 6193 B15R1.10389 CCOC(=O)COc1cccc(c1)SC 62a_100000170171_200000210301 [0,2,0,0,0,0|1,0,1]=4 6194 B15R1.10389 CCOC(=O)COc1cccc(c1)SC 62a_200000210301_100000170171 [0,2,0,0,0,0|1,0,1]=4 6195 B15R1.10389 CCOC(=O)COc1cccc(c1)SC 7a_100011265683_100000188475 [0,2,0,0,0,0|1,0,1]=4 6196 B15R1.10389 CCOC(=O)COc1cccc(c1)S[13CH3] 62a_100000170171_200025704644 [0,2,0,0,0,0|1,0,1]=4 6197 B15R1.10389 CCOC(=O)COc1cccc(c1)S[13CH3] 62a_200025704644_100000170171 [0,2,0,0,0,0|1,0,1]=4 6198 B15R1.10389 CCOC(=O)CSc1cccc(c1)C#N 62a_100000188475_100000189340 [0,2,0,0,0,0|1,0,1]=4 6199 B15R1.10389 CCOC(=O)CSc1cccc(c1)C=O 62a_100000014684_100000188475 [0,2,0,0,0,0|1,0,1]=4 6200 B15R1.10389 CCOC(=O)CSc1cccc(c1)C=O 62a_100000188475_100000014684 [0,2,0,0,0,0|1,0,1]=4 6201 B15R1.10389 CCOC(=O)CSc1cccc(c1)CC 62a_100000188475_100011263222 [0,2,0,0,0,0|1,0,1]=4 6202 B15R1.10389 CCOC(=O)CSc1cccc(c1)CC 62a_100011263222_100000188475 [0,2,0,0,0,0|1,0,1]=4 6203 B15R1.10389 CCOC(=O)CSc1cccc(c1)CF 62a_100000188475_100010878472 [0,2,0,0,0,0|1,0,1]=4 6204 B15R1.10389 CCOC(=O)CSc1cccc(c1)CF 62a_100010878472_100000188475 [0,2,0,0,0,0|1,0,1]=4 6205 B15R1.10389 CCOC(=O)CSc1cccc(c1)CN 62a_100000106179_100000188475 [0,2,0,0,0,0|1,0,1]=4 6206 B15R1.10389 CCOC(=O)CSc1cccc(c1)CN 62a_100000188475_100000106179 [0,2,0,0,0,0|1,0,1]=4 6207 B15R1.10389 CCOC(=O)CSc1cccc(c1)CO 62a_100000188475_100000687537 [0,2,0,0,0,0|1,0,1]=4 6208 B15R1.10389 CCOC(=O)CSc1cccc(c1)CO 62a_100000687537_100000188475 [0,2,0,0,0,0|1,0,1]=4 6209 B15R1.10389 CCOC(=O)CSc1cccc(c1)NC 62a_100000188475_100000219648 [0,2,0,0,0,0|1,0,1]=4 6210 B15R1.10389 CCOC(=O)CSc1cccc(c1)NC 62a_100000219648_100000188475 [0,2,0,0,0,0|1,0,1]=4 6211 B15R1.10389 CCOC(=O)CSc1cccc(c1)NN 62a_100000188475_100000217339 [0,2,0,0,0,0|1,0,1]=4 6212 B15R1.10389 CCOC(=O)CSc1cccc(c1)NN 62a_100000217339_100000188475 [0,2,0,0,0,0|1,0,1]=4 6213 B15R1.10389 CCOC(=O)CSc1cccc(c1)OC 62a_100000188475_100000170001 [0,2,0,0,0,0|1,0,1]=4 6214 B15R1.10389 CCOC(=O)CSc1cccc(c1)SC 62a_100000188475_100011215954 [0,2,0,0,0,0|1,0,1]=4 6215 B15R1.10389 CCOC(=O)CSc1cccc(c1)SC 62a_100011215954_100000188475 [0,2,0,0,0,0|1,0,1]=4 6216 B15R1.10389 CNNC(=O)C=Cc1cccc(c1)C#N 22a_100016993582_100000738773 [0,2,0,0,0,0|2,0,0]=4 6217 B15R1.10389 CNNC(=O)C=Cc1cccc(c1)OC 22a_100016993582_100000211917 [0,2,0,0,0,0|2,0,0]=4 6218 B15R1.10389 N#Cc1cccc(c1)C=CC(=O)CCF 1458a_100000738773_100011217306 [0,2,0,0,0,0|2,0,0]=4 6219 B15R1.10389 N#Cc1cccc(c1)C=CC(=O)CCO 1458a_100000738773_100000211926 [0,2,0,0,0,0|2,0,0]=4 6220 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000210303 [0,2,0,0,0,0|1,0,0]=3 6221 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100011215381 [0,2,0,0,0,0|1,0,0]=3 6222 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000210303 [0,2,0,0,0,0|1,0,0]=3 6223 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100011215381 [0,2,0,0,0,0|1,0,0]=3 6224 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210303 [0,2,0,0,0,0|1,0,0]=3 6225 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210303 [0,2,0,0,0,0|1,0,0]=3 6226 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100011215381 [0,2,0,0,0,0|1,0,0]=3 6227 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100011215381 [0,2,0,0,0,0|1,0,0]=3 6228 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000210303 [0,2,0,0,0,0|1,0,0]=3 6229 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100011215381 [0,2,0,0,0,0|1,0,0]=3 6230 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100011215381 [0,2,0,0,0,0|1,0,0]=3 6231 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000210303 [0,2,0,0,0,0|1,0,0]=3 6232 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100011215381 [0,2,0,0,0,0|1,0,0]=3 6233 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000210303 [0,2,0,0,0,0|1,0,0]=3 6234 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100011215381 [0,2,0,0,0,0|1,0,0]=3 6235 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210303 [0,2,0,0,0,0|1,0,0]=3 6236 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100011215381 [0,2,0,0,0,0|1,0,0]=3 6237 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000210303 [0,2,0,0,0,0|1,0,0]=3 6238 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100011215381 [0,2,0,0,0,0|1,0,0]=3 6239 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000210303 [0,2,0,0,0,0|1,0,0]=3 6240 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100011215381 [0,2,0,0,0,0|1,0,0]=3 6241 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000210303 [0,2,0,0,0,0|1,0,0]=3 6242 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100011215381 [0,2,0,0,0,0|1,0,0]=3 6243 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000210303 [0,2,0,0,0,0|1,0,0]=3 6244 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100011215381 [0,2,0,0,0,0|1,0,0]=3 6245 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100011215381 [0,2,0,0,0,0|1,0,0]=3 6246 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100011215381 [0,2,0,0,0,0|1,0,0]=3 6247 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100011215381 [0,2,0,0,0,0|1,0,0]=3 6248 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100011215381 [0,2,0,0,0,0|1,0,0]=3 6249 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100011215381 [0,2,0,0,0,0|1,0,0]=3 6250 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100011215381 [0,2,0,0,0,0|1,0,0]=3 6251 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100011215381 [0,2,0,0,0,0|1,0,0]=3 6252 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100011215381 [0,2,0,0,0,0|1,0,0]=3 6253 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100011215381 [0,2,0,0,0,0|1,0,0]=3 6254 B15R1.10390 CCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100011215381 [0,2,0,0,0,0|1,0,0]=3 6255 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100015525214_100102889548 [0,2,0,0,0,0|1,0,0]=3 6256 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100015525214_100102889548 [0,2,0,0,0,0|1,0,0]=3 6257 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100015525214_100011195070 [0,2,0,0,0,0|1,0,0]=3 6258 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100015525214_100011195070 [0,2,0,0,0,0|1,0,0]=3 6259 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100015525214_200103079279 [0,2,0,0,0,0|1,0,0]=3 6260 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)C)C 11a_100015525214_100011338269 [0,2,0,0,0,0|1,0,0]=3 6261 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100015525214_100011338269 [0,2,0,0,0,0|1,0,0]=3 6262 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)C)F 11a_100015525214_100016261966 [0,2,0,0,0,0|1,0,0]=3 6263 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100015525214_100016261966 [0,2,0,0,0,0|1,0,0]=3 6264 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100015525214_100000716972 [0,2,0,0,0,0|1,0,0]=3 6265 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100015525214_100000716972 [0,2,0,0,0,0|1,0,0]=3 6266 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100015525214_100102525453 [0,2,0,0,0,0|1,0,0]=3 6267 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100015525214_100102525453 [0,2,0,0,0,0|1,0,0]=3 6268 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100015525214_200103117615 [0,2,0,0,0,0|1,0,0]=3 6269 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100015525214_100102601611 [0,2,0,0,0,0|1,0,0]=3 6270 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100015525214_100102601611 [0,2,0,0,0,0|1,0,0]=3 6271 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)C 11a_100015525214_100102526211 [0,2,0,0,0,0|1,0,0]=3 6272 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100015525214_100102526211 [0,2,0,0,0,0|1,0,0]=3 6273 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100015525214_100020610926 [0,2,0,0,0,0|1,0,0]=3 6274 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100015525214_100020610926 [0,2,0,0,0,0|1,0,0]=3 6275 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)F 11a_100015525214_100011195075 [0,2,0,0,0,0|1,0,0]=3 6276 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100015525214_100011195075 [0,2,0,0,0,0|1,0,0]=3 6277 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100015525214_100011195073 [0,2,0,0,0,0|1,0,0]=3 6278 B15R1.10390 CCOC(=O)C=Cc1c[nH]c(=O)c(c1)Br 271570a_100010199719_100010125443 [0,2,0,0,0,0|1,0,0]=3 6279 B15R1.10390 CCOC(=O)C=Cc1c[nH]c(=O)c(c1)F 271570a_100010199719_100000723523 [0,2,0,0,0,0|1,0,0]=3 6280 B15R1.10390 CCOC(=O)C=Cc1c[nH]c(=O)c(c1)O 271570a_100010199719_100009814561 [0,2,0,0,0,0|1,0,0]=3 6281 B15R1.10390 CCOC(=O)C=Cc1c[nH]c(=O)c(n1)C 271570a_100010199719_100010363809 [0,2,0,0,0,0|2,0,0]=4 6282 B15R1.10390 CCOC(=O)C=Cc1cc(=O)n(cn1)C 271570a_100010199719_100012179353 [0,2,0,0,0,0|2,0,0]=4 6283 B15R1.10390 CCOC(=O)C=Cc1cc(c(=O)[nH]n1)C 271570a_100010199719_100012187101 [0,2,0,0,0,0|2,0,0]=4 6284 B15R1.10390 CCOC(=O)C=Cc1cc(c(=O)[nH]n1)N 271570a_100010199719_100000102183 [0,2,0,0,0,0|2,0,0]=4 6285 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)Br)C 271570a_100010199719_100012356354 [0,2,0,0,0,0|1,0,0]=3 6286 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)C)C 271570a_100010199719_100009850809 [0,2,0,0,0,0|1,0,0]=3 6287 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)C)F 271570a_100010199719_100009841206 [0,2,0,0,0,0|1,0,0]=3 6288 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)C)N 271570a_100010199719_100000690170 [0,2,0,0,0,0|1,0,0]=3 6289 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)C)O 271570a_100010199719_100000704368 [0,2,0,0,0,0|1,0,0]=3 6290 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)F)C 271570a_100010199719_100009818257 [0,2,0,0,0,0|1,0,0]=3 6291 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)F)N 271570a_100010199719_100000126464 [0,2,0,0,0,0|1,0,0]=3 6292 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)F)O 271570a_100010199719_100009854642 [0,2,0,0,0,0|1,0,0]=3 6293 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)N)C 271570a_100010199719_100000765520 [0,2,0,0,0,0|1,0,0]=3 6294 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)N)N 271570a_100010199719_100000067514 [0,2,0,0,0,0|1,0,0]=3 6295 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)O)C 271570a_100010199719_100000692680 [0,2,0,0,0,0|1,0,0]=3 6296 B15R1.10390 CCOC(=O)C=Cc1cc(c(cn1)O)N 271570a_100010199719_100009819941 [0,2,0,0,0,0|1,0,0]=3 6297 B15R1.10390 CCOC(=O)C=Cc1cc(c(nn1)N)C 271570a_100010199719_100153394926 [0,2,0,0,0,0|2,0,0]=4 6298 B15R1.10390 CCOC(=O)C=Cc1ccc(=O)n(c1)C 271570a_100010199719_100011245003 [0,2,0,0,0,0|1,0,0]=3 6299 B15R1.10390 CCOC(=O)C=Cc1ccc(=O)n(n1)C 271570a_100010199719_100009820752 [0,2,0,0,0,0|2,0,0]=4 6300 B15R1.10390 CCOC(=O)C=Cc1ccc([n+](c1)[O-])C 271570a_100010199719_100000703231 [0,2,0,0,0,0|1,0,0]=3 6301 B15R1.10390 CCOC(=O)C=Cc1ccc(c(=S)[nH]1)N 271570a_100010199719_100116329207 [0,2,0,0,0,0|1,0,0]=3 6302 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)Br 271570a_100010199719_100012356285 [0,2,0,0,0,0|0,0,0]=2 6303 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)C 271570a_100010199719_100011847877 [0,2,0,0,0,0|0,0,0]=2 6304 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)Cl 271570a_100010199719_100012353702 [0,2,0,0,0,0|0,0,0]=2 6305 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)F 271570a_100010199719_100012047266 [0,2,0,0,0,0|0,0,0]=2 6306 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)N 271570a_100010199719_100000750455 [0,2,0,0,0,0|0,0,0]=2 6307 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Br)O 271570a_100010199719_100012361655 [0,2,0,0,0,0|0,0,0]=2 6308 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)Br 271570a_100010199719_100009813585 [0,2,0,0,0,0|0,0,0]=2 6309 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)C 271570a_100010199719_100011215607 [0,2,0,0,0,0|0,0,0]=2 6310 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)Cl 271570a_100010199719_100000049509 [0,2,0,0,0,0|0,0,0]=2 6311 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)F 271570a_100010199719_100011218330 [0,2,0,0,0,0|0,0,0]=2 6312 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)N 271570a_100010199719_100000211769 [0,2,0,0,0,0|0,0,0]=2 6313 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)C)O 271570a_100010199719_100000186361 [0,2,0,0,0,0|0,0,0]=2 6314 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)Br 271570a_100010199719_100012047281 [0,2,0,0,0,0|0,0,0]=2 6315 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)C 271570a_100010199719_100011216363 [0,2,0,0,0,0|0,0,0]=2 6316 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)Cl 271570a_100010199719_100011214914 [0,2,0,0,0,0|0,0,0]=2 6317 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)F 271570a_100010199719_100011215976 [0,2,0,0,0,0|0,0,0]=2 6318 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)N 271570a_100010199719_100011218065 [0,2,0,0,0,0|0,0,0]=2 6319 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)Cl)O 271570a_100010199719_100012360047 [0,2,0,0,0,0|0,0,0]=2 6320 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)Br 271570a_100010199719_100000685389 [0,2,0,0,0,0|0,0,0]=2 6321 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)C 271570a_100010199719_100000720648 [0,2,0,0,0,0|0,0,0]=2 6322 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)Cl 271570a_100010199719_100011216805 [0,2,0,0,0,0|0,0,0]=2 6323 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)F 271570a_100010199719_100000750028 [0,2,0,0,0,0|0,0,0]=2 6324 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)N 271570a_100010199719_100011215594 [0,2,0,0,0,0|0,0,0]=2 6325 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)F)O 271570a_100010199719_100000185481 [0,2,0,0,0,0|0,0,0]=2 6326 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)Br 271570a_100010199719_100000750456 [0,2,0,0,0,0|0,0,0]=2 6327 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)C 271570a_100010199719_100000761890 [0,2,0,0,0,0|0,0,0]=2 6328 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)Cl 271570a_100010199719_200000761891 [0,2,0,0,0,0|0,0,0]=2 6329 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)F 271570a_100010199719_100000740924 [0,2,0,0,0,0|0,0,0]=2 6330 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)N 271570a_100010199719_100000741789 [0,2,0,0,0,0|0,0,0]=2 6331 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)N)O 271570a_100010199719_100000752626 [0,2,0,0,0,0|0,0,0]=2 6332 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)Br 271570a_100010199719_100012356990 [0,2,0,0,0,0|0,0,0]=2 6333 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)C 271570a_100010199719_100000766334 [0,2,0,0,0,0|0,0,0]=2 6334 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)Cl 271570a_100010199719_100011356854 [0,2,0,0,0,0|0,0,0]=2 6335 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)F 271570a_100010199719_100000686035 [0,2,0,0,0,0|0,0,0]=2 6336 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)N 271570a_100010199719_100000739049 [0,2,0,0,0,0|0,0,0]=2 6337 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)O 271570a_100010199719_100009813601 [0,2,0,0,0,0|0,0,0]=2 6338 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)Br)O 271570a_100010199719_100000725334 [0,2,0,0,0,0|1,0,0]=3 6339 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)C)Br 271570a_100010199719_100012360386 [0,2,0,0,0,0|1,0,0]=3 6340 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)C)C 271570a_100010199719_100000103781 [0,2,0,0,0,0|1,0,0]=3 6341 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)C)F 271570a_100010199719_100009814307 [0,2,0,0,0,0|1,0,0]=3 6342 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)C)N 271570a_100010199719_100000760127 [0,2,0,0,0,0|1,0,0]=3 6343 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)C)O 271570a_100010199719_100010233687 [0,2,0,0,0,0|1,0,0]=3 6344 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)Cl)N 271570a_100010199719_200010233646 [0,2,0,0,0,0|1,0,0]=3 6345 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)Cl)O 271570a_100010199719_100000721234 [0,2,0,0,0,0|1,0,0]=3 6346 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)F)Br 271570a_100010199719_100010134343 [0,2,0,0,0,0|1,0,0]=3 6347 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)F)N 271570a_100010199719_100009856439 [0,2,0,0,0,0|1,0,0]=3 6348 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)F)O 271570a_100010199719_100009819667 [0,2,0,0,0,0|1,0,0]=3 6349 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)N)C 271570a_100010199719_100009857032 [0,2,0,0,0,0|1,0,0]=3 6350 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)N)F 271570a_100010199719_100016091773 [0,2,0,0,0,0|1,0,0]=3 6351 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)N)N 271570a_100010199719_100000747239 [0,2,0,0,0,0|1,0,0]=3 6352 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)N)O 271570a_100010199719_100000685527 [0,2,0,0,0,0|1,0,0]=3 6353 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)O)F 271570a_100010199719_100010729010 [0,2,0,0,0,0|1,0,0]=3 6354 B15R1.10390 CCOC(=O)C=Cc1ccc(c(n1)O)N 271570a_100010199719_100000718904 [0,2,0,0,0,0|1,0,0]=3 6355 B15R1.10390 CCOC(=O)C=Cc1ccn(c(=O)c1)C 271570a_100010199719_100009820031 [0,2,0,0,0,0|1,0,0]=3 6356 B15R1.10390 CCOC(=O)C=Cc1cn(c(=O)cn1)C 271570a_100010199719_100009843036 [0,2,0,0,0,0|2,0,0]=4 6357 B15R1.10390 CCOC(=O)C=Cc1cnc(=O)n(c1)C 271570a_100010199719_100009819886 [0,2,0,0,0,0|2,0,0]=4 6358 B15R1.10390 CCOC(=O)C=Cc1cnc(c(=O)[nH]1)N 271570a_100010199719_100009840296 [0,2,0,0,0,0|2,0,0]=4 6359 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)Br)Cl 271570a_100010199719_100010172733 [0,2,0,0,0,0|1,0,0]=3 6360 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)Br)N 271570a_100010199719_100012353989 [0,2,0,0,0,0|1,0,0]=3 6361 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)C)Br 271570a_100010199719_100009816107 [0,2,0,0,0,0|1,0,0]=3 6362 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)C)C 271570a_100010199719_100000697892 [0,2,0,0,0,0|1,0,0]=3 6363 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)C)Cl 271570a_100010199719_100009922867 [0,2,0,0,0,0|1,0,0]=3 6364 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)C)F 271570a_100010199719_100000709442 [0,2,0,0,0,0|1,0,0]=3 6365 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)C)N 271570a_100010199719_100000186686 [0,2,0,0,0,0|1,0,0]=3 6366 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)C)O 271570a_100010199719_100000685391 [0,2,0,0,0,0|1,0,0]=3 6367 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)Cl)N 271570a_100010199719_100012356299 [0,2,0,0,0,0|1,0,0]=3 6368 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)Cl)O 271570a_100010199719_100010238531 [0,2,0,0,0,0|1,0,0]=3 6369 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)F)C 271570a_100010199719_100009845756 [0,2,0,0,0,0|1,0,0]=3 6370 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)F)F 271570a_100010199719_100009817721 [0,2,0,0,0,0|1,0,0]=3 6371 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)F)N 271570a_100010199719_100000693161 [0,2,0,0,0,0|1,0,0]=3 6372 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)N)C 271570a_100010199719_100011999542 [0,2,0,0,0,0|1,0,0]=3 6373 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)N)Cl 271570a_100010199719_100009828400 [0,2,0,0,0,0|1,0,0]=3 6374 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)N)F 271570a_100010199719_100009816798 [0,2,0,0,0,0|1,0,0]=3 6375 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)N)N 271570a_100010199719_100000184470 [0,2,0,0,0,0|1,0,0]=3 6376 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)N)O 271570a_100010199719_100000743729 [0,2,0,0,0,0|1,0,0]=3 6377 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)O)C 271570a_100010199719_100009864810 [0,2,0,0,0,0|1,0,0]=3 6378 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)O)F 271570a_100010199719_100009819871 [0,2,0,0,0,0|1,0,0]=3 6379 B15R1.10390 CCOC(=O)C=Cc1cnc(c(c1)O)N 271570a_100010199719_100009819042 [0,2,0,0,0,0|1,0,0]=3 6380 B15R1.10390 CCOC(=O)C=Cc1cnc(c(n1)Br)N 271570a_100010199719_100010982571 [0,2,0,0,0,0|2,0,0]=4 6381 B15R1.10390 CCOC(=O)C=Cc1cnc(c(n1)C)C 271570a_100010199719_100009878948 [0,2,0,0,0,0|2,0,0]=4 6382 B15R1.10390 CCOC(=O)C=Cc1cnc(c(n1)C)N 271570a_100010199719_100009818571 [0,2,0,0,0,0|2,0,0]=4 6383 B15R1.10390 CCOC(=O)C=Cc1cnc(c(n1)Cl)N 271570a_100010199719_100010733632 [0,2,0,0,0,0|2,0,0]=4 6384 B15R1.10390 CCOC(=O)C=Cc1cnc(c(n1)N)N 271570a_100010199719_100009816827 [0,2,0,0,0,0|2,0,0]=4 6385 B15R1.10390 CCOC(=O)C=Cc1cnn(c(=O)c1)C 271570a_100010199719_200010986246 [0,2,0,0,0,0|2,0,0]=4 6386 B15R1.10390 CCOC(=O)C=Cc1ncc(c(n1)C)Cl 271570a_100010199719_100010174973 [0,2,0,0,0,0|2,0,0]=4 6387 B15R1.10390 CCOC(=O)C=Cc1ncc(c(n1)C)F 271570a_100010199719_100015641512 [0,2,0,0,0,0|2,0,0]=4 6388 B15R1.10390 CCOC(=O)C=Cc1ncc(c(n1)C)N 271570a_100010199719_100000123670 [0,2,0,0,0,0|2,0,0]=4 6389 B15R1.10390 CCOC(=O)C=Cc1ncc(c(n1)N)C 271570a_100010199719_100011996698 [0,2,0,0,0,0|2,0,0]=4 6390 B15R1.10390 CCOC(=O)C=Cc1ncc(c(n1)N)F 271570a_100010199719_100000185498 [0,2,0,0,0,0|2,0,0]=4 6391 B15R1.10390 CCOC(=O)C=Cc1ncc(c(n1)N)N 271570a_100010199719_100011933915 [0,2,0,0,0,0|2,0,0]=4 6392 B15R1.10390 CCOC(=O)C=Cc1ncc(c(n1)O)F 271570a_100010199719_100011995740 [0,2,0,0,0,0|2,0,0]=4 6393 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000188475 [0,2,0,0,0,0|1,0,1]=4 6394 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000188475 [0,2,0,0,0,0|1,0,1]=4 6395 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000188475 [0,2,0,0,0,0|1,0,1]=4 6396 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)C 2230a_100000736455_100000188475 [0,2,0,0,0,0|1,0,1]=4 6397 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)C 34a_100000736455_100000188475 [0,2,0,0,0,0|1,0,1]=4 6398 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)C 7a_100000736455_100000188475 [0,2,0,0,0,0|1,0,1]=4 6399 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000188475 [0,2,0,0,0,0|1,0,1]=4 6400 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000188475 [0,2,0,0,0,0|1,0,1]=4 6401 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000188475 [0,2,0,0,0,0|1,0,1]=4 6402 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000188475 [0,2,0,0,0,0|1,0,1]=4 6403 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000188475 [0,2,0,0,0,0|1,0,1]=4 6404 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000188475 [0,2,0,0,0,0|1,0,1]=4 6405 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000188475 [0,2,0,0,0,0|1,0,1]=4 6406 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)Br 2230a_100000210723_100000188475 [0,2,0,0,0,0|1,0,1]=4 6407 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)Br 34a_100000210723_100000188475 [0,2,0,0,0,0|1,0,1]=4 6408 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)Br 7a_100000210723_100000188475 [0,2,0,0,0,0|1,0,1]=4 6409 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)C 2230a_100000724040_100000188475 [0,2,0,0,0,0|1,0,1]=4 6410 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)C 34a_100000724040_100000188475 [0,2,0,0,0,0|1,0,1]=4 6411 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)C 7a_100000724040_100000188475 [0,2,0,0,0,0|1,0,1]=4 6412 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000188475 [0,2,0,0,0,0|1,0,1]=4 6413 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000188475 [0,2,0,0,0,0|1,0,1]=4 6414 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000188475 [0,2,0,0,0,0|1,0,1]=4 6415 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)F 2230a_100000750164_100000188475 [0,2,0,0,0,0|1,0,1]=4 6416 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)F 34a_100000750164_100000188475 [0,2,0,0,0,0|1,0,1]=4 6417 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)F 7a_100000750164_100000188475 [0,2,0,0,0,0|1,0,1]=4 6418 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)I 34a_100000198070_100000188475 [0,2,0,0,0,0|1,0,1]=4 6419 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)I 7a_100000198070_100000188475 [0,2,0,0,0,0|1,0,1]=4 6420 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000188475 [0,2,0,0,0,0|1,0,1]=4 6421 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000188475 [0,2,0,0,0,0|1,0,1]=4 6422 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000188475 [0,2,0,0,0,0|1,0,1]=4 6423 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000188475 [0,2,0,0,0,0|1,0,1]=4 6424 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000188475 [0,2,0,0,0,0|1,0,1]=4 6425 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100000188475 [0,2,0,0,0,0|1,0,1]=4 6426 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)C 34a_100000188892_100000188475 [0,2,0,0,0,0|1,0,1]=4 6427 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)C 7a_100000188892_100000188475 [0,2,0,0,0,0|1,0,1]=4 6428 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000188475 [0,2,0,0,0,0|1,0,1]=4 6429 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000188475 [0,2,0,0,0,0|1,0,1]=4 6430 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000188475 [0,2,0,0,0,0|1,0,1]=4 6431 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000188475 [0,2,0,0,0,0|1,0,1]=4 6432 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000188475 [0,2,0,0,0,0|1,0,1]=4 6433 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000188475 [0,2,0,0,0,0|1,0,1]=4 6434 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000188475 [0,2,0,0,0,0|1,0,1]=4 6435 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000188475 [0,2,0,0,0,0|1,0,1]=4 6436 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000188475 [0,2,0,0,0,0|1,0,1]=4 6437 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000188475 [0,2,0,0,0,0|1,0,1]=4 6438 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)C 2230a_100000210958_100000188475 [0,2,0,0,0,0|1,0,1]=4 6439 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)C 34a_100000210958_100000188475 [0,2,0,0,0,0|1,0,1]=4 6440 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)C 7a_100000210958_100000188475 [0,2,0,0,0,0|1,0,1]=4 6441 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000188475 [0,2,0,0,0,0|1,0,1]=4 6442 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000188475 [0,2,0,0,0,0|1,0,1]=4 6443 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000188475 [0,2,0,0,0,0|1,0,1]=4 6444 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000188475 [0,2,0,0,0,0|1,0,1]=4 6445 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000188475 [0,2,0,0,0,0|1,0,1]=4 6446 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000188475 [0,2,0,0,0,0|1,0,1]=4 6447 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000188475 [0,2,0,0,0,0|1,0,1]=4 6448 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000188475 [0,2,0,0,0,0|1,0,1]=4 6449 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000188475 [0,2,0,0,0,0|1,0,1]=4 6450 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000188475 [0,2,0,0,0,0|1,0,1]=4 6451 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000188475 [0,2,0,0,0,0|1,0,1]=4 6452 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)I)C 34a_100000184131_100000188475 [0,2,0,0,0,0|1,0,1]=4 6453 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)I)C 7a_100000184131_100000188475 [0,2,0,0,0,0|1,0,1]=4 6454 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000188475 [0,2,0,0,0,0|1,0,1]=4 6455 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000188475 [0,2,0,0,0,0|1,0,1]=4 6456 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000188475 [0,2,0,0,0,0|1,0,1]=4 6457 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000188475 [0,2,0,0,0,0|1,0,1]=4 6458 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000188475 [0,2,0,0,0,0|1,0,1]=4 6459 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000188475 [0,2,0,0,0,0|1,0,1]=4 6460 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000188475 [0,2,0,0,0,0|1,0,1]=4 6461 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000188475 [0,2,0,0,0,0|1,0,1]=4 6462 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000188475 [0,2,0,0,0,0|1,0,1]=4 6463 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)C 34a_100011380479_100000188475 [0,2,0,0,0,0|1,0,1]=4 6464 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)C 7a_100011380479_100000188475 [0,2,0,0,0,0|1,0,1]=4 6465 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000188475 [0,2,0,0,0,0|1,0,1]=4 6466 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000188475 [0,2,0,0,0,0|1,0,1]=4 6467 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000188475 [0,2,0,0,0,0|1,0,1]=4 6468 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000188475 [0,2,0,0,0,0|1,0,1]=4 6469 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000188475 [0,2,0,0,0,0|1,0,1]=4 6470 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000188475 [0,2,0,0,0,0|1,0,1]=4 6471 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000188475 [0,2,0,0,0,0|1,0,1]=4 6472 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000188475 [0,2,0,0,0,0|1,0,1]=4 6473 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)Br 34a_100000690111_100000188475 [0,2,0,0,0,0|1,0,1]=4 6474 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)Br 7a_100000690111_100000188475 [0,2,0,0,0,0|1,0,1]=4 6475 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)C 34a_100000210932_100000188475 [0,2,0,0,0,0|1,0,1]=4 6476 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)C 7a_100000210932_100000188475 [0,2,0,0,0,0|1,0,1]=4 6477 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)Cl 34a_100000211092_100000188475 [0,2,0,0,0,0|1,0,1]=4 6478 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)Cl 7a_100000211092_100000188475 [0,2,0,0,0,0|1,0,1]=4 6479 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)F 34a_100000751312_100000188475 [0,2,0,0,0,0|1,0,1]=4 6480 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)F 7a_100000751312_100000188475 [0,2,0,0,0,0|1,0,1]=4 6481 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)I 34a_100000729255_100000188475 [0,2,0,0,0,0|1,0,1]=4 6482 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)I 7a_100000729255_100000188475 [0,2,0,0,0,0|1,0,1]=4 6483 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)N 34a_100000756630_100000188475 [0,2,0,0,0,0|1,0,1]=4 6484 B15R1.10390 CCOC(=O)COc1ccc(c(c1)C)N 7a_100000756630_100000188475 [0,2,0,0,0,0|1,0,1]=4 6485 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000188475 [0,2,0,0,0,0|1,0,1]=4 6486 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000188475 [0,2,0,0,0,0|1,0,1]=4 6487 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)C 34a_100011265682_100000188475 [0,2,0,0,0,0|1,0,1]=4 6488 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)C 7a_100011265682_100000188475 [0,2,0,0,0,0|1,0,1]=4 6489 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000188475 [0,2,0,0,0,0|1,0,1]=4 6490 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000188475 [0,2,0,0,0,0|1,0,1]=4 6491 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000188475 [0,2,0,0,0,0|1,0,1]=4 6492 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000188475 [0,2,0,0,0,0|1,0,1]=4 6493 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000188475 [0,2,0,0,0,0|1,0,1]=4 6494 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000188475 [0,2,0,0,0,0|1,0,1]=4 6495 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000188475 [0,2,0,0,0,0|1,0,1]=4 6496 B15R1.10390 CCOC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000188475 [0,2,0,0,0,0|1,0,1]=4 6497 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000188475 [0,2,0,0,0,0|1,0,1]=4 6498 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000188475 [0,2,0,0,0,0|1,0,1]=4 6499 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)C 34a_100000722560_100000188475 [0,2,0,0,0,0|1,0,1]=4 6500 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)C 7a_100000722560_100000188475 [0,2,0,0,0,0|1,0,1]=4 6501 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000188475 [0,2,0,0,0,0|1,0,1]=4 6502 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000188475 [0,2,0,0,0,0|1,0,1]=4 6503 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000188475 [0,2,0,0,0,0|1,0,1]=4 6504 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000188475 [0,2,0,0,0,0|1,0,1]=4 6505 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000188475 [0,2,0,0,0,0|1,0,1]=4 6506 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000188475 [0,2,0,0,0,0|1,0,1]=4 6507 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000188475 [0,2,0,0,0,0|1,0,1]=4 6508 B15R1.10390 CCOC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000188475 [0,2,0,0,0,0|1,0,1]=4 6509 B15R1.10390 CCOC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000188475 [0,2,0,0,0,0|1,0,1]=4 6510 B15R1.10390 CCOC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000188475 [0,2,0,0,0,0|1,0,1]=4 6511 B15R1.10390 CCOC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000188475 [0,2,0,0,0,0|1,0,1]=4 6512 B15R1.10390 CCOC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000188475 [0,2,0,0,0,0|1,0,1]=4 6513 B15R1.10390 CCOC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000188475 [0,2,0,0,0,0|1,0,1]=4 6514 B15R1.10390 CCOC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000188475 [0,2,0,0,0,0|1,0,1]=4 6515 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000188475 [0,2,0,0,0,0|1,0,1]=4 6516 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000188475 [0,2,0,0,0,0|1,0,1]=4 6517 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)C 34a_100011216113_100000188475 [0,2,0,0,0,0|1,0,1]=4 6518 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)C 7a_100011216113_100000188475 [0,2,0,0,0,0|1,0,1]=4 6519 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000188475 [0,2,0,0,0,0|1,0,1]=4 6520 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000188475 [0,2,0,0,0,0|1,0,1]=4 6521 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000188475 [0,2,0,0,0,0|1,0,1]=4 6522 B15R1.10390 CCOC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000188475 [0,2,0,0,0,0|1,0,1]=4 6523 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)Br 62a_100000188475_100012356285 [0,2,0,0,0,0|1,0,1]=4 6524 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000188475 [0,2,0,0,0,0|1,0,1]=4 6525 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)C 62a_100000188475_100011847877 [0,2,0,0,0,0|1,0,1]=4 6526 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)C 62a_100011847877_100000188475 [0,2,0,0,0,0|1,0,1]=4 6527 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000188475_100012353702 [0,2,0,0,0,0|1,0,1]=4 6528 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000188475 [0,2,0,0,0,0|1,0,1]=4 6529 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)F 62a_100000188475_100012047266 [0,2,0,0,0,0|1,0,1]=4 6530 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000188475 [0,2,0,0,0,0|1,0,1]=4 6531 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)N 62a_100000188475_100000750455 [0,2,0,0,0,0|1,0,1]=4 6532 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000188475 [0,2,0,0,0,0|1,0,1]=4 6533 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)O 62a_100000188475_100012361655 [0,2,0,0,0,0|1,0,1]=4 6534 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000188475 [0,2,0,0,0,0|1,0,1]=4 6535 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)Br 62a_100000188475_100009813585 [0,2,0,0,0,0|1,0,1]=4 6536 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)Br 62a_100009813585_100000188475 [0,2,0,0,0,0|1,0,1]=4 6537 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)C 62a_100000188475_100011215607 [0,2,0,0,0,0|1,0,1]=4 6538 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)C 62a_100011215607_100000188475 [0,2,0,0,0,0|1,0,1]=4 6539 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000188475 [0,2,0,0,0,0|1,0,1]=4 6540 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)Cl 62a_100000188475_100000049509 [0,2,0,0,0,0|1,0,1]=4 6541 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)F 62a_100000188475_100011218330 [0,2,0,0,0,0|1,0,1]=4 6542 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)F 62a_100011218330_100000188475 [0,2,0,0,0,0|1,0,1]=4 6543 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)N 62a_100000188475_100000211769 [0,2,0,0,0,0|1,0,1]=4 6544 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)N 62a_100000211769_100000188475 [0,2,0,0,0,0|1,0,1]=4 6545 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)C)O 62a_100000188475_100000186361 [0,2,0,0,0,0|1,0,1]=4 6546 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000188475_100012047281 [0,2,0,0,0,0|1,0,1]=4 6547 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000188475 [0,2,0,0,0,0|1,0,1]=4 6548 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)C 62a_100000188475_100011216363 [0,2,0,0,0,0|1,0,1]=4 6549 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)C 62a_100011216363_100000188475 [0,2,0,0,0,0|1,0,1]=4 6550 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000188475_100011214914 [0,2,0,0,0,0|1,0,1]=4 6551 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000188475 [0,2,0,0,0,0|1,0,1]=4 6552 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)F 62a_100000188475_100011215976 [0,2,0,0,0,0|1,0,1]=4 6553 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000188475 [0,2,0,0,0,0|1,0,1]=4 6554 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)N 62a_100000188475_100011218065 [0,2,0,0,0,0|1,0,1]=4 6555 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000188475 [0,2,0,0,0,0|1,0,1]=4 6556 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)O 62a_100000188475_100012360047 [0,2,0,0,0,0|1,0,1]=4 6557 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000188475 [0,2,0,0,0,0|1,0,1]=4 6558 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)Br 62a_100000188475_100000685389 [0,2,0,0,0,0|1,0,1]=4 6559 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000188475 [0,2,0,0,0,0|1,0,1]=4 6560 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)C 62a_100000188475_100000720648 [0,2,0,0,0,0|1,0,1]=4 6561 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)C 62a_100000720648_100000188475 [0,2,0,0,0,0|1,0,1]=4 6562 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)Cl 62a_100000188475_100011216805 [0,2,0,0,0,0|1,0,1]=4 6563 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000188475 [0,2,0,0,0,0|1,0,1]=4 6564 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)F 62a_100000188475_100000703953 [0,2,0,0,0,0|1,0,1]=4 6565 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000188475 [0,2,0,0,0,0|1,0,1]=4 6566 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)N 62a_100000188475_100011215594 [0,2,0,0,0,0|1,0,1]=4 6567 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000188475 [0,2,0,0,0,0|1,0,1]=4 6568 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000188475 [0,2,0,0,0,0|1,0,1]=4 6569 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)F)O 62a_100000188475_100000185481 [0,2,0,0,0,0|1,0,1]=4 6570 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)Br 62a_100000188475_100000750456 [0,2,0,0,0,0|1,0,1]=4 6571 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000188475 [0,2,0,0,0,0|1,0,1]=4 6572 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)C 62a_100000188475_100000761890 [0,2,0,0,0,0|1,0,1]=4 6573 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)C 62a_100000761890_100000188475 [0,2,0,0,0,0|1,0,1]=4 6574 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)Cl 62a_100000188475_200000761891 [0,2,0,0,0,0|1,0,1]=4 6575 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000188475 [0,2,0,0,0,0|1,0,1]=4 6576 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)F 62a_100000188475_100000740924 [0,2,0,0,0,0|1,0,1]=4 6577 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000188475 [0,2,0,0,0,0|1,0,1]=4 6578 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)N 62a_100000188475_100011534411 [0,2,0,0,0,0|1,0,1]=4 6579 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000188475 [0,2,0,0,0,0|1,0,1]=4 6580 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)O 62a_100000188475_100000752626 [0,2,0,0,0,0|1,0,1]=4 6581 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000188475 [0,2,0,0,0,0|1,0,1]=4 6582 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)Br 62a_100000188475_100012356990 [0,2,0,0,0,0|1,0,1]=4 6583 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000188475 [0,2,0,0,0,0|1,0,1]=4 6584 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)C 62a_100000188475_100000685420 [0,2,0,0,0,0|1,0,1]=4 6585 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000188475 [0,2,0,0,0,0|1,0,1]=4 6586 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)Cl 62a_100000188475_100011356854 [0,2,0,0,0,0|1,0,1]=4 6587 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000188475 [0,2,0,0,0,0|1,0,1]=4 6588 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)F 62a_100000188475_100000686035 [0,2,0,0,0,0|1,0,1]=4 6589 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000188475 [0,2,0,0,0,0|1,0,1]=4 6590 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)N 62a_100000188475_100000739049 [0,2,0,0,0,0|1,0,1]=4 6591 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000188475 [0,2,0,0,0,0|1,0,1]=4 6592 B15R1.10390 CCOC(=O)CSc1ccc(c(c1)O)O 62a_100000188475_100009813601 [0,2,0,0,0,0|1,0,1]=4 6593 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Br)Cl 22a_100016993582_100102889548 [0,2,0,0,0,0|2,0,0]=4 6594 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Br)F 22a_100016993582_100011195070 [0,2,0,0,0,0|2,0,0]=4 6595 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Br)O 22a_100016993582_200103079279 [0,2,0,0,0,0|2,0,0]=4 6596 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)C)C 22a_100016993582_100011338269 [0,2,0,0,0,0|2,0,0]=4 6597 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)C)F 22a_100016993582_100016261966 [0,2,0,0,0,0|2,0,0]=4 6598 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Cl)Cl 22a_100016993582_100000716972 [0,2,0,0,0,0|2,0,0]=4 6599 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Cl)F 22a_100016993582_100102525453 [0,2,0,0,0,0|2,0,0]=4 6600 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)Cl)O 22a_100016993582_200103117615 [0,2,0,0,0,0|2,0,0]=4 6601 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)F)Br 22a_100016993582_100102601611 [0,2,0,0,0,0|2,0,0]=4 6602 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)F)C 22a_100016993582_100102526211 [0,2,0,0,0,0|2,0,0]=4 6603 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)F)Cl 22a_100016993582_100020610926 [0,2,0,0,0,0|2,0,0]=4 6604 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)F)F 22a_100016993582_100011195075 [0,2,0,0,0,0|2,0,0]=4 6605 B15R1.10390 CNNC(=O)C=Cc1ccc(c(c1)O)O 22a_100016993582_100011195073 [0,2,0,0,0,0|2,0,0]=4 6606 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000211753 [0,2,0,0,0,0|2,0,0]=4 6607 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000211753 [0,2,0,0,0,0|2,0,0]=4 6608 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000211753 [0,2,0,0,0,0|2,0,0]=4 6609 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000211753 [0,2,0,0,0,0|2,0,0]=4 6610 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000211753 [0,2,0,0,0,0|2,0,0]=4 6611 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000211753 [0,2,0,0,0,0|2,0,0]=4 6612 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000211753 [0,2,0,0,0,0|2,0,0]=4 6613 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000211753 [0,2,0,0,0,0|2,0,0]=4 6614 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000211753 [0,2,0,0,0,0|2,0,0]=4 6615 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000211753 [0,2,0,0,0,0|2,0,0]=4 6616 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000211753 [0,2,0,0,0,0|2,0,0]=4 6617 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000211753 [0,2,0,0,0,0|2,0,0]=4 6618 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000211753 [0,2,0,0,0,0|2,0,0]=4 6619 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000211753 [0,2,0,0,0,0|2,0,0]=4 6620 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000211753 [0,2,0,0,0,0|2,0,0]=4 6621 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000211753 [0,2,0,0,0,0|2,0,0]=4 6622 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000211753 [0,2,0,0,0,0|2,0,0]=4 6623 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000211753 [0,2,0,0,0,0|2,0,0]=4 6624 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000211753 [0,2,0,0,0,0|2,0,0]=4 6625 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000211753 [0,2,0,0,0,0|2,0,0]=4 6626 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000211753 [0,2,0,0,0,0|2,0,0]=4 6627 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000211753 [0,2,0,0,0,0|2,0,0]=4 6628 B15R1.10390 COCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000211753 [0,2,0,0,0,0|2,0,0]=4 6629 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100011216314 [0,2,0,0,0,0|2,0,0]=4 6630 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100011216314 [0,2,0,0,0,0|2,0,0]=4 6631 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100011216314 [0,2,0,0,0,0|2,0,0]=4 6632 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100011216314 [0,2,0,0,0,0|2,0,0]=4 6633 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100011216314 [0,2,0,0,0,0|2,0,0]=4 6634 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100011216314 [0,2,0,0,0,0|2,0,0]=4 6635 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100011216314 [0,2,0,0,0,0|2,0,0]=4 6636 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100011216314 [0,2,0,0,0,0|2,0,0]=4 6637 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100011216314 [0,2,0,0,0,0|2,0,0]=4 6638 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100011216314 [0,2,0,0,0,0|2,0,0]=4 6639 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100011216314 [0,2,0,0,0,0|2,0,0]=4 6640 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100011216314 [0,2,0,0,0,0|2,0,0]=4 6641 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100011216314 [0,2,0,0,0,0|2,0,0]=4 6642 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100011216314 [0,2,0,0,0,0|2,0,0]=4 6643 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100011216314 [0,2,0,0,0,0|2,0,0]=4 6644 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100011216314 [0,2,0,0,0,0|2,0,0]=4 6645 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100011216314 [0,2,0,0,0,0|2,0,0]=4 6646 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100011216314 [0,2,0,0,0,0|2,0,0]=4 6647 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100011216314 [0,2,0,0,0,0|2,0,0]=4 6648 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100011216314 [0,2,0,0,0,0|2,0,0]=4 6649 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100011216314 [0,2,0,0,0,0|2,0,0]=4 6650 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100011216314 [0,2,0,0,0,0|2,0,0]=4 6651 B15R1.10390 CSCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100011216314 [0,2,0,0,0,0|2,0,0]=4 6652 B15R1.10390 Cc1cc(ccc1Cl)C=CC(=O)CCBr 6a_100000698814_100011261029 [0,2,0,0,0,0|2,0,0]=4 6653 B15R1.10390 Cc1cc(ccc1Cl)C=CC(=O)CCCl 6a_100000698814_100000053229 [0,2,0,0,0,0|2,0,0]=4 6654 B15R1.10390 Cc1cc(ccc1F)C=CC(=O)CCBr 6a_100000748208_100011261029 [0,2,0,0,0,0|2,0,0]=4 6655 B15R1.10390 Cc1cc(ccc1F)C=CC(=O)CCCl 6a_100000748208_100000053229 [0,2,0,0,0,0|2,0,0]=4 6656 B15R1.10390 Cc1cc(ccc1F)C=CC(=O)CCF 1458a_100016261966_100011217306 [0,2,0,0,0,0|2,0,0]=4 6657 B15R1.10390 Cc1cc(ccc1F)C=CC(=O)CCO 1458a_100016261966_100000211926 [0,2,0,0,0,0|2,0,0]=4 6658 B15R1.10390 Cc1ccc(cc1C)C=CC(=O)CCBr 6a_100000229942_100011261029 [0,2,0,0,0,0|2,0,0]=4 6659 B15R1.10390 Cc1ccc(cc1C)C=CC(=O)CCCl 6a_100000229942_100000053229 [0,2,0,0,0,0|2,0,0]=4 6660 B15R1.10390 Cc1ccc(cc1C)C=CC(=O)CCF 1458a_100011338269_100011217306 [0,2,0,0,0,0|2,0,0]=4 6661 B15R1.10390 Cc1ccc(cc1C)C=CC(=O)CCO 1458a_100011338269_100000211926 [0,2,0,0,0,0|2,0,0]=4 6662 B15R1.10390 Cc1ccc(cc1Cl)C=CC(=O)CCBr 6a_100000760539_100011261029 [0,2,0,0,0,0|2,0,0]=4 6663 B15R1.10390 Cc1ccc(cc1Cl)C=CC(=O)CCCl 6a_100000760539_100000053229 [0,2,0,0,0,0|2,0,0]=4 6664 B15R1.10390 Cc1ccc(cc1F)C=CC(=O)CCBr 6a_100000753222_100011261029 [0,2,0,0,0,0|2,0,0]=4 6665 B15R1.10390 Cc1ccc(cc1F)C=CC(=O)CCCl 6a_100000753222_100000053229 [0,2,0,0,0,0|2,0,0]=4 6666 B15R1.10390 Cc1ccc(cc1F)C=CC(=O)CCF 1458a_100102526211_100011217306 [0,2,0,0,0,0|2,0,0]=4 6667 B15R1.10390 Cc1ccc(cc1F)C=CC(=O)CCO 1458a_100102526211_100000211926 [0,2,0,0,0,0|2,0,0]=4 6668 B15R1.10390 Cc1ccc(cc1I)C=CC(=O)CCBr 6a_100010197721_100011261029 [0,2,0,0,0,0|2,0,0]=4 6669 B15R1.10390 Cc1ccc(cc1I)C=CC(=O)CCCl 6a_100010197721_100000053229 [0,2,0,0,0,0|2,0,0]=4 6670 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)Cl)CCBr 6a_100000693810_100011261029 [0,2,0,0,0,0|2,0,0]=4 6671 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCl 6a_100000693810_100000053229 [0,2,0,0,0,0|2,0,0]=4 6672 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)Cl)CCF 1458a_100102889548_100011217306 [0,2,0,0,0,0|2,0,0]=4 6673 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)Cl)CCO 1458a_100102889548_100000211926 [0,2,0,0,0,0|2,0,0]=4 6674 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)F)CCBr 6a_100000211747_100011261029 [0,2,0,0,0,0|2,0,0]=4 6675 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)F)CCCl 6a_100000211747_100000053229 [0,2,0,0,0,0|2,0,0]=4 6676 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)F)CCF 1458a_100011195070_100011217306 [0,2,0,0,0,0|2,0,0]=4 6677 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)F)CCO 1458a_100011195070_100000211926 [0,2,0,0,0,0|2,0,0]=4 6678 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)O)CCF 1458a_200103079279_100011217306 [0,2,0,0,0,0|2,0,0]=4 6679 B15R1.10390 O=C(C=Cc1ccc(c(c1)Br)O)CCO 1458a_200103079279_100000211926 [0,2,0,0,0,0|2,0,0]=4 6680 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCBr 6a_100000188533_100011261029 [0,2,0,0,0,0|2,0,0]=4 6681 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCl 6a_100000188533_100000053229 [0,2,0,0,0,0|2,0,0]=4 6682 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCF 1458a_100000716972_100011217306 [0,2,0,0,0,0|2,0,0]=4 6683 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCO 1458a_100000716972_100000211926 [0,2,0,0,0,0|2,0,0]=4 6684 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)F)CCBr 6a_100000742290_100011261029 [0,2,0,0,0,0|2,0,0]=4 6685 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)F)CCCl 6a_100000742290_100000053229 [0,2,0,0,0,0|2,0,0]=4 6686 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)F)CCF 1458a_100102525453_100011217306 [0,2,0,0,0,0|2,0,0]=4 6687 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)F)CCO 1458a_100102525453_100000211926 [0,2,0,0,0,0|2,0,0]=4 6688 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCBr 6a_100000186751_100011261029 [0,2,0,0,0,0|2,0,0]=4 6689 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCCl 6a_100000186751_100000053229 [0,2,0,0,0,0|2,0,0]=4 6690 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCF 1458a_200103117615_100011217306 [0,2,0,0,0,0|2,0,0]=4 6691 B15R1.10390 O=C(C=Cc1ccc(c(c1)Cl)O)CCO 1458a_200103117615_100000211926 [0,2,0,0,0,0|2,0,0]=4 6692 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Br)CCBr 6a_100000686674_100011261029 [0,2,0,0,0,0|2,0,0]=4 6693 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Br)CCCl 6a_100000686674_100000053229 [0,2,0,0,0,0|2,0,0]=4 6694 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Br)CCF 1458a_100102601611_100011217306 [0,2,0,0,0,0|2,0,0]=4 6695 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Br)CCO 1458a_100102601611_100000211926 [0,2,0,0,0,0|2,0,0]=4 6696 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Cl)CCBr 6a_100000745630_100011261029 [0,2,0,0,0,0|2,0,0]=4 6697 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Cl)CCCl 6a_100000745630_100000053229 [0,2,0,0,0,0|2,0,0]=4 6698 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Cl)CCF 1458a_100020610926_100011217306 [0,2,0,0,0,0|2,0,0]=4 6699 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)Cl)CCO 1458a_100020610926_100000211926 [0,2,0,0,0,0|2,0,0]=4 6700 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)F)CCBr 6a_100000211062_100011261029 [0,2,0,0,0,0|2,0,0]=4 6701 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)F)CCCl 6a_100000211062_100000053229 [0,2,0,0,0,0|2,0,0]=4 6702 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)F)CCF 1458a_100011195075_100011217306 [0,2,0,0,0,0|2,0,0]=4 6703 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)F)CCO 1458a_100011195075_100000211926 [0,2,0,0,0,0|2,0,0]=4 6704 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)I)CCBr 6a_100000050832_100011261029 [0,2,0,0,0,0|2,0,0]=4 6705 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)I)CCCl 6a_100000050832_100000053229 [0,2,0,0,0,0|2,0,0]=4 6706 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)O)CCBr 6a_100000742332_100011261029 [0,2,0,0,0,0|2,0,0]=4 6707 B15R1.10390 O=C(C=Cc1ccc(c(c1)F)O)CCCl 6a_100000742332_100000053229 [0,2,0,0,0,0|2,0,0]=4 6708 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)Br)CCBr 6a_100010146563_100011261029 [0,2,0,0,0,0|2,0,0]=4 6709 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)Br)CCCl 6a_100010146563_100000053229 [0,2,0,0,0,0|2,0,0]=4 6710 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)Cl)CCBr 6a_100010209939_100011261029 [0,2,0,0,0,0|2,0,0]=4 6711 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)Cl)CCCl 6a_100010209939_100000053229 [0,2,0,0,0,0|2,0,0]=4 6712 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)F)CCBr 6a_100010188209_100011261029 [0,2,0,0,0,0|2,0,0]=4 6713 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)F)CCCl 6a_100010188209_100000053229 [0,2,0,0,0,0|2,0,0]=4 6714 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)O)CCBr 6a_100000186752_100011261029 [0,2,0,0,0,0|2,0,0]=4 6715 B15R1.10390 O=C(C=Cc1ccc(c(c1)I)O)CCCl 6a_100000186752_100000053229 [0,2,0,0,0,0|2,0,0]=4 6716 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)Cl)CCBr 6a_100009876013_100011261029 [0,2,0,0,0,0|2,0,0]=4 6717 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)Cl)CCCl 6a_100009876013_100000053229 [0,2,0,0,0,0|2,0,0]=4 6718 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)F)CCBr 6a_100000102368_100011261029 [0,2,0,0,0,0|2,0,0]=4 6719 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)F)CCCl 6a_100000102368_100000053229 [0,2,0,0,0,0|2,0,0]=4 6720 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)I)CCBr 6a_100000041418_100011261029 [0,2,0,0,0,0|2,0,0]=4 6721 B15R1.10390 O=C(C=Cc1ccc(c(c1)O)I)CCCl 6a_100000041418_100000053229 [0,2,0,0,0,0|2,0,0]=4 6722 B15R1.48 C/C(=C\c1ccc(cc1)F)/C(=O)CCF 1458a_100053117043_100011217306 [0,2,0,0,0,0|2,0,0]=4 6723 B15R1.48 C/C(=C\c1ccc(cc1)F)/C(=O)CCO 1458a_100053117043_100000211926 [0,2,0,0,0,0|2,0,0]=4 6724 B15R1.48 CCCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000210303 [0,2,0,0,0,0|1,0,0]=3 6725 B15R1.48 CCCC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_100000210303 [0,2,0,0,0,0|2,0,0]=4 6726 B15R1.48 CCNC(=O)/C(=C/c1ccc(cc1)F)/C 11a_100015525214_100053117043 [0,2,0,0,0,0|1,0,0]=3 6727 B15R1.48 CCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100015525214_100053117043 [0,2,0,0,0,0|1,0,0]=3 6728 B15R1.48 CCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100015525214_100053117043 [0,2,0,0,0,0|1,0,0]=3 6729 B15R1.48 CCNC(=O)C(=O)Cc1ccc(cc1)Br 1458a_200011297158_100000189115 [0,2,0,0,0,0|1,0,1]=4 6730 B15R1.48 CCNC(=O)C(=O)Cc1ccc(cc1)C 1458a_200011297158_100000210814 [0,2,0,0,0,0|1,0,1]=4 6731 B15R1.48 CCNC(=O)C(=O)Cc1ccc(cc1)Cl 1458a_200011297158_100000694040 [0,2,0,0,0,0|1,0,1]=4 6732 B15R1.48 CCNC(=O)C(=O)Cc1ccc(cc1)F 1458a_200011297158_100000198546 [0,2,0,0,0,0|1,0,1]=4 6733 B15R1.48 CCNC(=O)C(=O)Cc1ccc(cc1)I 1458a_200011297158_100000189116 [0,2,0,0,0,0|1,0,1]=4 6734 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_200011297158 [0,2,0,0,0,0|2,0,0]=4 6735 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_200011297158 [0,2,0,0,0,0|2,0,0]=4 6736 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_200011297158 [0,2,0,0,0,0|2,0,0]=4 6737 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_200011297158 [0,2,0,0,0,0|2,0,0]=4 6738 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)C 22a_100000124888_200011297158 [0,2,0,0,0,0|2,0,0]=4 6739 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)C 240690a_100015525214_100000189662 [0,2,0,0,0,0|2,0,0]=4 6740 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)C 527a_100000124888_200011297158 [0,2,0,0,0,0|2,0,0]=4 6741 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_200011297158 [0,2,0,0,0,0|2,0,0]=4 6742 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_200011297158 [0,2,0,0,0,0|2,0,0]=4 6743 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100015525214_100000199041 [0,2,0,0,0,0|2,0,0]=4 6744 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_200011297158 [0,2,0,0,0,0|2,0,0]=4 6745 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_200011297158 [0,2,0,0,0,0|2,0,0]=4 6746 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_200011297158 [0,2,0,0,0,0|2,0,0]=4 6747 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100015525214_100011297306 [0,2,0,0,0,0|2,0,0]=4 6748 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_200011297158 [0,2,0,0,0,0|2,0,0]=4 6749 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_200011297158 [0,2,0,0,0,0|2,0,0]=4 6750 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_200011297158 [0,2,0,0,0,0|2,0,0]=4 6751 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_200011297158 [0,2,0,0,0,0|2,0,0]=4 6752 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_200011297158 [0,2,0,0,0,0|2,0,0]=4 6753 B15R1.48 CCNC(=O)C(=O)Sc1ccc(cc1)C 11a_100015525214_100009913200 [0,2,0,0,0,0|2,0,0]=4 6754 B15R1.48 CCNC(=O)C(=O)Sc1ccc(cc1)C 240690a_100015525214_100009913200 [0,2,0,0,0,0|2,0,0]=4 6755 B15R1.48 CCNC(=O)C(=O)Sc1ccc(cc1)C 527a_100015525214_100009913200 [0,2,0,0,0,0|2,0,0]=4 6756 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100014798877 [0,2,0,0,0,0|1,0,0]=3 6757 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100014798877 [0,2,0,0,0,0|1,0,0]=3 6758 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)C 11a_100000124888_100014798877 [0,2,0,0,0,0|1,0,0]=3 6759 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100014798877 [0,2,0,0,0,0|1,0,0]=3 6760 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100014798877 [0,2,0,0,0,0|1,0,0]=3 6761 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100014798877 [0,2,0,0,0,0|1,0,0]=3 6762 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)F 11a_100000185862_100014798877 [0,2,0,0,0,0|1,0,0]=3 6763 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100014798877 [0,2,0,0,0,0|1,0,0]=3 6764 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)I 11a_100000185761_100014798877 [0,2,0,0,0,0|1,0,0]=3 6765 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100014798877 [0,2,0,0,0,0|1,0,0]=3 6766 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)O 271570a_203496583355_200000187817 [0,2,0,0,0,0|1,0,0]=3 6767 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100011215307 [0,2,0,0,0,0|1,0,1]=4 6768 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Br 34a_100000210018_100011216346 [0,2,0,0,0,0|1,0,1]=4 6769 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)C 34a_100000124888_100011216346 [0,2,0,0,0,0|1,0,1]=4 6770 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100011215307 [0,2,0,0,0,0|1,0,1]=4 6771 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)Cl 34a_100000210052_100011216346 [0,2,0,0,0,0|1,0,1]=4 6772 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)F 34a_100000185862_100011216346 [0,2,0,0,0,0|1,0,1]=4 6773 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100011216346 [0,2,0,0,0,0|1,0,1]=4 6774 B15R1.48 CCOC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100011216346 [0,2,0,0,0,0|1,0,1]=4 6775 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Br 34a_100000185759_100011216346 [0,2,0,0,0,0|1,0,1]=4 6776 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100011216346 [0,2,0,0,0,0|1,0,1]=4 6777 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)C 34a_100000210336_100011216346 [0,2,0,0,0,0|1,0,1]=4 6778 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100011216346 [0,2,0,0,0,0|1,0,1]=4 6779 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100011216346 [0,2,0,0,0,0|1,0,1]=4 6780 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100011216346 [0,2,0,0,0,0|1,0,1]=4 6781 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)F 34a_100000210339_100011216346 [0,2,0,0,0,0|1,0,1]=4 6782 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100011216346 [0,2,0,0,0,0|1,0,1]=4 6783 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100011216346 [0,2,0,0,0,0|1,0,1]=4 6784 B15R1.48 CCOC(=O)C(C)Oc1ccc(cc1)N 34a_100000185829_100011216346 [0,2,0,0,0,0|1,0,1]=4 6785 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100011216346 [0,2,0,0,0,0|1,0,1]=4 6786 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Br 62a_100011216346_100000752885 [0,2,0,0,0,0|1,0,1]=4 6787 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100011216346 [0,2,0,0,0,0|1,0,1]=4 6788 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)C 62a_100011216346_100000186775 [0,2,0,0,0,0|1,0,1]=4 6789 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100011216346 [0,2,0,0,0,0|1,0,1]=4 6790 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)Cl 62a_100011216346_100000755918 [0,2,0,0,0,0|1,0,1]=4 6791 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100011216346 [0,2,0,0,0,0|1,0,1]=4 6792 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)F 62a_100011216346_100000211213 [0,2,0,0,0,0|1,0,1]=4 6793 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100011216346 [0,2,0,0,0,0|1,0,1]=4 6794 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)N 62a_100011216346_100000185761 [0,2,0,0,0,0|1,0,1]=4 6795 B15R1.48 CCOC(=O)C(C)Sc1ccc(cc1)O 62a_100011216346_100000185759 [0,2,0,0,0,0|1,0,1]=4 6796 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100000760018 [0,2,0,0,0,0|1,0,1]=4 6797 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100000760018 [0,2,0,0,0,0|1,0,1]=4 6798 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)C 34a_100000124888_100000760018 [0,2,0,0,0,0|1,0,1]=4 6799 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100000760018 [0,2,0,0,0,0|1,0,1]=4 6800 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100000760018 [0,2,0,0,0,0|1,0,1]=4 6801 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100000760018 [0,2,0,0,0,0|1,0,1]=4 6802 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100000760018 [0,2,0,0,0,0|1,0,1]=4 6803 B15R1.48 CCOC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100000760018 [0,2,0,0,0,0|1,0,1]=4 6804 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100000760018 [0,2,0,0,0,0|1,0,1]=4 6805 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100000040065 [0,2,0,0,0,0|1,0,1]=4 6806 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)C 34a_100000210336_100000760018 [0,2,0,0,0,0|1,0,1]=4 6807 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)C 7a_100000210336_100000040065 [0,2,0,0,0,0|1,0,1]=4 6808 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100000760018 [0,2,0,0,0,0|1,0,1]=4 6809 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100000040065 [0,2,0,0,0,0|1,0,1]=4 6810 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100000760018 [0,2,0,0,0,0|1,0,1]=4 6811 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100000760018 [0,2,0,0,0,0|1,0,1]=4 6812 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100000040065 [0,2,0,0,0,0|1,0,1]=4 6813 B15R1.48 CCOC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100000760018 [0,2,0,0,0,0|1,0,1]=4 6814 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100000760018 [0,2,0,0,0,0|1,0,1]=4 6815 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Br 62a_100000760018_100000752885 [0,2,0,0,0,0|1,0,1]=4 6816 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)C 62a_100000186775_100000760018 [0,2,0,0,0,0|1,0,1]=4 6817 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)C 62a_100000760018_100000186775 [0,2,0,0,0,0|1,0,1]=4 6818 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100000760018 [0,2,0,0,0,0|1,0,1]=4 6819 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000760018_100000755918 [0,2,0,0,0,0|1,0,1]=4 6820 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100000760018 [0,2,0,0,0,0|1,0,1]=4 6821 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)F 62a_100000760018_100000211213 [0,2,0,0,0,0|1,0,1]=4 6822 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100000760018 [0,2,0,0,0,0|1,0,1]=4 6823 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)N 62a_100000760018_100000185761 [0,2,0,0,0,0|1,0,1]=4 6824 B15R1.48 CCOC(=O)C(F)Sc1ccc(cc1)O 62a_100000760018_100000185759 [0,2,0,0,0,0|1,0,1]=4 6825 B15R1.48 CNNC(=O)/C(=C/c1ccc(cc1)F)/C 22a_100016993582_100053117043 [0,2,0,0,0,0|2,0,0]=4 6826 B15R1.496 C/C(=C\c1ccccc1)/C(=O)CC(C)C 1458a_100016990649_100000210624 [0,2,0,0,0,0|1,0,0]=3 6827 B15R1.496 C/C(=C\c1ccccc1)/C(=O)CC(C)O 1458a_100016990649_100011218427 [0,2,0,0,0,0|1,0,0]=3 6828 B15R1.496 C/C(=C\c1ccccc1)/C(=O)CC(F)F 1458a_100016990649_100011934356 [0,2,0,0,0,0|2,0,0]=4 6829 B15R1.496 C/C(=C\c1ccccc1)/C(=O)NC(C)C 11a_100138425928_100016990649 [0,2,0,0,0,0|1,0,0]=3 6830 B15R1.496 C/C(=C\c1ccccc1)/C(=O)NC(C)C 1626a_100138425928_100016990649 [0,2,0,0,0,0|1,0,0]=3 6831 B15R1.496 C/C(=C\c1ccccc1)/C(=O)NC(C)C 527a_100138425928_100016990649 [0,2,0,0,0,0|1,0,0]=3 6832 B15R1.496 C/C(=C\c1ccccn1)/C(=O)CC(C)C 1458a_100025712827_100000210624 [0,2,0,0,0,0|2,0,0]=4 6833 B15R1.496 C/C(=C\c1ccccn1)/C(=O)CC(C)O 1458a_100025712827_100011218427 [0,2,0,0,0,0|2,0,0]=4 6834 B15R1.496 C/C(=C\c1ccccn1)/C(=O)NC(C)C 11a_100138425928_100025712827 [0,2,0,0,0,0|2,0,0]=4 6835 B15R1.496 C/C(=C\c1ccccn1)/C(=O)NC(C)C 1626a_100138425928_100025712827 [0,2,0,0,0,0|2,0,0]=4 6836 B15R1.496 C/C(=C\c1ccccn1)/C(=O)NC(C)C 527a_100138425928_100025712827 [0,2,0,0,0,0|2,0,0]=4 6837 B15R1.496 C=C(C)CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000748629 [0,2,0,0,0,0|1,0,1]=4 6838 B15R1.496 C=C(C)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000748629 [0,2,0,0,0,0|1,0,1]=4 6839 B15R1.496 C=C(C)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000748629 [0,2,0,0,0,0|1,0,1]=4 6840 B15R1.496 C=C(Cc1ccccc1)C(=O)NC(C)C 11a_100138425928_100000066491 [0,2,0,0,0,0|1,0,1]=4 6841 B15R1.496 C=C(Cc1ccccc1)C(=O)NC(C)C 1626a_100138425928_100000066491 [0,2,0,0,0,0|1,0,1]=4 6842 B15R1.496 CC(C)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210624 [0,2,0,0,0,0|1,0,0]=3 6843 B15R1.496 CC(C)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210624 [0,2,0,0,0,0|1,0,0]=3 6844 B15R1.496 CC(C)CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210624 [0,2,0,0,0,0|2,0,0]=4 6845 B15R1.496 CC(C)CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210624 [0,2,0,0,0,0|2,0,0]=4 6846 B15R1.496 CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100138425928_200020598536 [0,2,0,0,0,0|1,0,0]=3 6847 B15R1.496 CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100138425928_200020598536 [0,2,0,0,0,0|1,0,0]=3 6848 B15R1.496 CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100138425928_200020598536 [0,2,0,0,0,0|1,0,0]=3 6849 B15R1.496 CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100138425928_200020598536 [0,2,0,0,0,0|1,0,0]=3 6850 B15R1.496 CC(C)NC(=O)/C(=C\c1ccccc1)/F 11a_100138425928_100020889036 [0,2,0,0,0,0|1,0,0]=3 6851 B15R1.496 CC(C)NC(=O)/C(=C\c1ccccc1)/F 527a_100138425928_100020889036 [0,2,0,0,0,0|1,0,0]=3 6852 B15R1.496 CC(C)NC(=O)C(=Cc1cccnc1)F 11a_100138425928_100000731744 [0,2,0,0,0,0|2,0,0]=4 6853 B15R1.496 CC(C)NC(=O)C(=Cc1cccnc1)F 240690a_100138425928_100000731744 [0,2,0,0,0,0|2,0,0]=4 6854 B15R1.496 CC(C)NC(=O)C(=Cc1cccnc1)F 527a_100138425928_100000731744 [0,2,0,0,0,0|2,0,0]=4 6855 B15R1.496 CC(C)NC(=O)C(=O)Cc1ccccc1 1458a_100011220036_100015291786 [0,2,0,0,0,0|1,0,1]=4 6856 B15R1.496 CC(C)NC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011220036 [0,2,0,0,0,0|2,0,0]=4 6857 B15R1.496 CC(C)NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011220036 [0,2,0,0,0,0|2,0,0]=4 6858 B15R1.496 CC(C)NC(=O)C(=O)Nc1ccccc1 240690a_100138425928_100000738435 [0,2,0,0,0,0|2,0,0]=4 6859 B15R1.496 CC(C)NC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011220036 [0,2,0,0,0,0|2,0,0]=4 6860 B15R1.496 CC(O)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011218427 [0,2,0,0,0,0|1,0,0]=3 6861 B15R1.496 CC(O)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011218427 [0,2,0,0,0,0|1,0,0]=3 6862 B15R1.496 CC(O)CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011218427 [0,2,0,0,0,0|2,0,0]=4 6863 B15R1.496 CC(O)CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011218427 [0,2,0,0,0,0|2,0,0]=4 6864 B15R1.496 O=C(CC(F)F)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011934356 [0,2,0,0,0,0|2,0,0]=4 6865 B15R1.496 O=C(CC(F)F)/C(=C\c1ccccc1)/F 1458a_100020889036_100011934356 [0,2,0,0,0,0|2,0,0]=4 6866 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000753159 [0,2,0,0,0,0|1,0,1]=4 6867 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000753159 [0,2,0,0,0,0|1,0,1]=4 6868 B15R1.551 C#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000753159 [0,2,0,0,0,0|1,0,1]=4 6869 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 11a_100000212058_100016990649 [0,2,0,0,0,0|1,0,1]=4 6870 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000212058_100016990649 [0,2,0,0,0,0|1,0,1]=4 6871 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 527a_100000212058_100016990649 [0,2,0,0,0,0|1,0,1]=4 6872 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000212058_200020598536 [0,2,0,0,0,0|1,0,1]=4 6873 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000212058_200020598536 [0,2,0,0,0,0|1,0,1]=4 6874 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000212058_200020598536 [0,2,0,0,0,0|1,0,1]=4 6875 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000212058_200020598536 [0,2,0,0,0,0|1,0,1]=4 6876 B15R1.551 C#CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000212058_100020889036 [0,2,0,0,0,0|1,0,1]=4 6877 B15R1.551 C#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000212058_100020889036 [0,2,0,0,0,0|1,0,1]=4 6878 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCC#N 1458a_100016990649_100011215226 [0,2,0,0,0,0|1,0,1]=4 6879 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCF 1458a_100016990649_100011934791 [0,2,0,0,0,0|1,0,0]=3 6880 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCO 1458a_100016990649_100011215043 [0,2,0,0,0,0|1,0,0]=3 6881 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCC#N 1626a_100000734998_100016990649 [0,2,0,0,0,0|1,0,1]=4 6882 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCC#N 527a_100000734998_100016990649 [0,2,0,0,0,0|1,0,1]=4 6883 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 11a_100000724931_100016990649 [0,2,0,0,0,0|1,0,0]=3 6884 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 1626a_100000724931_100016990649 [0,2,0,0,0,0|1,0,0]=3 6885 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 527a_100000724931_100016990649 [0,2,0,0,0,0|1,0,0]=3 6886 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCO 527a_100000210304_100016990649 [0,2,0,0,0,0|1,0,0]=3 6887 B15R1.551 C/C(=C\c1ccccn1)/C(=O)CCCF 1458a_100025712827_100011934791 [0,2,0,0,0,0|2,0,0]=4 6888 B15R1.551 C/C(=C\c1ccccn1)/C(=O)CCCO 1458a_100025712827_100011215043 [0,2,0,0,0,0|2,0,0]=4 6889 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCF 11a_100000724931_100025712827 [0,2,0,0,0,0|2,0,0]=4 6890 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCF 1626a_100000724931_100025712827 [0,2,0,0,0,0|2,0,0]=4 6891 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCF 527a_100000724931_100025712827 [0,2,0,0,0,0|2,0,0]=4 6892 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCO 527a_100000210304_100025712827 [0,2,0,0,0,0|2,0,0]=4 6893 B15R1.551 C/C=C/CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100102629194 [0,2,0,0,0,0|1,0,1]=4 6894 B15R1.551 C/C=C/CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100102629194 [0,2,0,0,0,0|1,0,1]=4 6895 B15R1.551 C/C=C/CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100102629194 [0,2,0,0,0,0|1,0,1]=4 6896 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 11a_100020643023_100000066491 [0,2,0,0,0,0|1,0,1]=4 6897 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 1626a_100020643023_100000066491 [0,2,0,0,0,0|1,0,1]=4 6898 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF 11a_100000724931_100000066491 [0,2,0,0,0,0|1,0,1]=4 6899 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF 1626a_100000724931_100000066491 [0,2,0,0,0,0|1,0,1]=4 6900 B15R1.551 C=C(Cc1ccccc1)C(=O)NNCC 22a_100000756455_100000066491 [0,2,0,0,0,0|1,0,1]=4 6901 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000754431 [0,2,0,0,0,0|1,0,1]=4 6902 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000754431 [0,2,0,0,0,0|1,0,1]=4 6903 B15R1.551 C=CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000754431 [0,2,0,0,0,0|1,0,1]=4 6904 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020586998_100016990649 [0,2,0,0,0,0|1,0,1]=4 6905 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/C 527a_100020586998_100016990649 [0,2,0,0,0,0|1,0,1]=4 6906 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020586998_200020598536 [0,2,0,0,0,0|1,0,1]=4 6907 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020586998_200020598536 [0,2,0,0,0,0|1,0,1]=4 6908 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020586998_200020598536 [0,2,0,0,0,0|1,0,1]=4 6909 B15R1.551 C=CCNC(=O)/C(=C\c1ccccc1)/F 527a_100020586998_100020889036 [0,2,0,0,0,0|1,0,1]=4 6910 B15R1.551 CC#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000748600 [0,2,0,0,0,0|1,0,1]=4 6911 B15R1.551 CC#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000748600 [0,2,0,0,0,0|1,0,1]=4 6912 B15R1.551 CC#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000748600 [0,2,0,0,0,0|1,0,1]=4 6913 B15R1.551 CC=CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000070051 [0,2,0,0,0,0|1,0,1]=4 6914 B15R1.551 CC=CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000070051 [0,2,0,0,0,0|1,0,1]=4 6915 B15R1.551 CC=CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000070051 [0,2,0,0,0,0|1,0,1]=4 6916 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210211 [0,2,0,0,0,0|1,0,0]=3 6917 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210211 [0,2,0,0,0,0|1,0,0]=3 6918 B15R1.551 CCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210211 [0,2,0,0,0,0|2,0,0]=4 6919 B15R1.551 CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210211 [0,2,0,0,0,0|1,0,0]=3 6920 B15R1.551 CCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210211 [0,2,0,0,0,0|2,0,0]=4 6921 B15R1.551 CCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210211 [0,2,0,0,0,0|2,0,0]=4 6922 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020643023_100016990649 [0,2,0,0,0,0|1,0,0]=3 6923 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020643023_100016990649 [0,2,0,0,0,0|1,0,0]=3 6924 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020643023_100016990649 [0,2,0,0,0,0|1,0,0]=3 6925 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020643023_200020598536 [0,2,0,0,0,0|1,0,0]=3 6926 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020643023_200020598536 [0,2,0,0,0,0|1,0,0]=3 6927 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020643023_200020598536 [0,2,0,0,0,0|1,0,0]=3 6928 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020643023_200020598536 [0,2,0,0,0,0|1,0,0]=3 6929 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 11a_100020643023_100025712827 [0,2,0,0,0,0|2,0,0]=4 6930 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020643023_100025712827 [0,2,0,0,0,0|2,0,0]=4 6931 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 527a_100020643023_100025712827 [0,2,0,0,0,0|2,0,0]=4 6932 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020643023_100020889036 [0,2,0,0,0,0|1,0,0]=3 6933 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020643023_100020889036 [0,2,0,0,0,0|1,0,0]=3 6934 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 11a_100020643023_100000731744 [0,2,0,0,0,0|2,0,0]=4 6935 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 240690a_100020643023_100000731744 [0,2,0,0,0,0|2,0,0]=4 6936 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 527a_100020643023_100000731744 [0,2,0,0,0,0|2,0,0]=4 6937 B15R1.551 CCCNC(=O)C(=O)Cc1ccccc1 1458a_200011297150_100015291786 [0,2,0,0,0,0|1,0,1]=4 6938 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297150 [0,2,0,0,0,0|2,0,0]=4 6939 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297150 [0,2,0,0,0,0|2,0,0]=4 6940 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 240690a_100020643023_100000738435 [0,2,0,0,0,0|2,0,0]=4 6941 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297150 [0,2,0,0,0,0|2,0,0]=4 6942 B15R1.551 CCCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100000760410 [0,2,0,0,0,0|1,0,1]=4 6943 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100000760410 [0,2,0,0,0,0|1,0,1]=4 6944 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100000760410 [0,2,0,0,0,0|1,0,1]=4 6945 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100000760410 [0,2,0,0,0,0|1,0,1]=4 6946 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000760410_100000041952 [0,2,0,0,0,0|1,0,1]=4 6947 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000756455_100016990649 [0,2,0,0,0,0|1,0,0]=3 6948 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000756455_200020598536 [0,2,0,0,0,0|1,0,0]=3 6949 B15R1.551 CCNNC(=O)/C(=C/c1ccccn1)/C 22a_100000756455_100025712827 [0,2,0,0,0,0|2,0,0]=4 6950 B15R1.551 CCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000756455_100020889036 [0,2,0,0,0,0|1,0,0]=3 6951 B15R1.551 CCNNC(=O)C(=Cc1cccnc1)F 22a_100000756455_100000731744 [0,2,0,0,0,0|2,0,0]=4 6952 B15R1.551 CCNNC(=O)C(=O)Nc1ccccc1 22a_100000756455_100000738435 [0,2,0,0,0,0|2,0,0]=4 6953 B15R1.551 CCOCC(=O)C(C)Cc1ccccc1 1458a_100000211967_200011218536 [0,2,0,0,0,0|0,0,2]=4 6954 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000211967 [0,2,0,0,0,0|1,0,1]=4 6955 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000211967 [0,2,0,0,0,0|1,0,1]=4 6956 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000211967 [0,2,0,0,0,0|1,0,1]=4 6957 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 34a_100121572206_100000182870 [0,2,0,0,0,0|1,0,1]=4 6958 B15R1.551 CCOCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000211967 [0,2,0,0,0,0|1,0,1]=4 6959 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000233755 [0,2,0,0,0,0|1,0,0]=3 6960 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000233755 [0,2,0,0,0,0|1,0,0]=3 6961 B15R1.551 COCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000233755 [0,2,0,0,0,0|2,0,0]=4 6962 B15R1.551 COCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000233755 [0,2,0,0,0,0|1,0,0]=3 6963 B15R1.551 COCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000233755 [0,2,0,0,0,0|2,0,0]=4 6964 B15R1.551 COCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000233755 [0,2,0,0,0,0|2,0,0]=4 6965 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000751147 [0,2,0,0,0,0|1,0,0]=3 6966 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000751147 [0,2,0,0,0,0|1,0,0]=3 6967 B15R1.551 CSCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000751147 [0,2,0,0,0,0|2,0,0]=4 6968 B15R1.551 CSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000751147 [0,2,0,0,0,0|1,0,0]=3 6969 B15R1.551 CSCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000751147 [0,2,0,0,0,0|2,0,0]=4 6970 B15R1.551 CSCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000751147 [0,2,0,0,0,0|2,0,0]=4 6971 B15R1.551 N#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215226 [0,2,0,0,0,0|1,0,1]=4 6972 B15R1.551 N#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215226 [0,2,0,0,0,0|1,0,1]=4 6973 B15R1.551 N#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000734998_200020598536 [0,2,0,0,0,0|1,0,1]=4 6974 B15R1.551 N#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000734998_200020598536 [0,2,0,0,0,0|1,0,1]=4 6975 B15R1.551 N#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000734998_100020889036 [0,2,0,0,0,0|1,0,1]=4 6976 B15R1.551 O=C(CCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011934791 [0,2,0,0,0,0|1,0,0]=3 6977 B15R1.551 O=C(CCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011934791 [0,2,0,0,0,0|1,0,0]=3 6978 B15R1.551 O=C(CCCF)C(=Cc1cccnc1)F 1458a_100000731744_100011934791 [0,2,0,0,0,0|2,0,0]=4 6979 B15R1.551 O=C(CCCF)C(=O)Nc1ccccc1 1458a_100000738435_100011934791 [0,2,0,0,0,0|2,0,0]=4 6980 B15R1.551 O=C(CCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215043 [0,2,0,0,0,0|1,0,0]=3 6981 B15R1.551 O=C(CCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215043 [0,2,0,0,0,0|1,0,0]=3 6982 B15R1.551 O=C(CCCO)C(=Cc1cccnc1)F 1458a_100000731744_100011215043 [0,2,0,0,0,0|2,0,0]=4 6983 B15R1.551 O=C(CCCO)C(=O)Nc1ccccc1 1458a_100000738435_100011215043 [0,2,0,0,0,0|2,0,0]=4 6984 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 11a_100000724931_200020598536 [0,2,0,0,0,0|1,0,0]=3 6985 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 1626a_100000724931_200020598536 [0,2,0,0,0,0|1,0,0]=3 6986 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 240690a_100000724931_200020598536 [0,2,0,0,0,0|1,0,0]=3 6987 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 527a_100000724931_200020598536 [0,2,0,0,0,0|1,0,0]=3 6988 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 11a_100000724931_100020889036 [0,2,0,0,0,0|1,0,0]=3 6989 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 527a_100000724931_100020889036 [0,2,0,0,0,0|1,0,0]=3 6990 B15R1.551 O=C(NCCF)C(=Cc1cccnc1)F 11a_100000724931_100000731744 [0,2,0,0,0,0|2,0,0]=4 6991 B15R1.551 O=C(NCCF)C(=Cc1cccnc1)F 240690a_100000724931_100000731744 [0,2,0,0,0,0|2,0,0]=4 6992 B15R1.551 O=C(NCCF)C(=Cc1cccnc1)F 527a_100000724931_100000731744 [0,2,0,0,0,0|2,0,0]=4 6993 B15R1.551 O=C(NCCF)C(=O)Nc1ccccc1 240690a_100000724931_100000738435 [0,2,0,0,0,0|2,0,0]=4 6994 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 240690a_100000210304_200020598536 [0,2,0,0,0,0|1,0,0]=3 6995 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 527a_100000210304_200020598536 [0,2,0,0,0,0|1,0,0]=3 6996 B15R1.551 O=C(NCCO)/C(=C\c1ccccc1)/F 527a_100000210304_100020889036 [0,2,0,0,0,0|1,0,0]=3 6997 B15R1.551 O=C(NCCO)C(=Cc1cccnc1)F 240690a_100000210304_100000731744 [0,2,0,0,0,0|2,0,0]=4 6998 B15R1.551 O=C(NCCO)C(=Cc1cccnc1)F 527a_100000210304_100000731744 [0,2,0,0,0,0|2,0,0]=4 6999 B15R1.551 O=C(NCCO)C(=O)Nc1ccccc1 240690a_100000210304_100000738435 [0,2,0,0,0,0|2,0,0]=4 7000 B15R1.640 CCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210303 [0,2,0,0,0,0|1,0,0]=3 7001 B15R1.640 CCNC(=O)C(=Cc1ccccc1)C#N 527a_100015525214_100000162679 [0,2,0,0,0,0|1,0,0]=3 7002 B15R1.640 CCOC(=O)C(C=O)Sc1ccccc1 62a_100000053139_100000041952 [0,2,0,0,0,0|1,0,1]=4 7003 B15R1.640 CCOC(=O)C(C=O)Sc1ccccc1 62a_100000719477_100000053139 [0,2,0,0,0,0|1,0,1]=4 7004 B15R1.640 CCOC(=O)C(CC)Nc1ccccc1 34a_100000106764_100000212269 [0,2,0,0,0,0|1,0,1]=4 7005 B15R1.640 CCOC(=O)C(CC)Oc1ccccc1 34a_100000210340_100000212269 [0,2,0,0,0,0|1,0,1]=4 7006 B15R1.640 CCOC(=O)C(CC)Oc1ccccc1 7a_100000210340_100000212269 [0,2,0,0,0,0|1,0,1]=4 7007 B15R1.640 CCOC(=O)C(CC)Sc1ccccc1 62a_100000212269_100000041952 [0,2,0,0,0,0|1,0,1]=4 7008 B15R1.640 CCOC(=O)C(CC)Sc1ccccc1 62a_100000719477_100000212269 [0,2,0,0,0,0|1,0,1]=4 7009 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC 34a_100102657272_100000742553 [0,2,0,0,0,0|0,0,2]=4 7010 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC 7a_106832991635_100000742553 [0,2,0,0,0,0|0,0,2]=4 7011 B15R1.640 CCOC(=O)C(Cc1ccccc1)OC 34a_100138415774_100000742553 [0,2,0,0,0,0|0,0,2]=4 7012 B15R1.640 CCOC(=O)C(Cc1ccccc1)OC 7a_100000758422_200000210301 [0,2,0,0,0,0|0,0,2]=4 7013 B15R1.640 CCOC(=O)C(Cc1ccccc1)O[13CH3] 7a_100000758422_200025704644 [0,2,0,0,0,0|0,0,2]=4 7014 B15R1.640 CCOC(=O)C(Cc1ccccc1)SC 62a_100000742553_200000210301 [0,2,0,0,0,0|0,0,2]=4 7015 B15R1.640 CCOC(=O)C(Cc1ccccc1)SC 62a_200000210301_100000742553 [0,2,0,0,0,0|0,0,2]=4 7016 B15R1.640 CCOC(=O)C(Cc1ccccc1)S[13CH3] 62a_100000742553_200025704644 [0,2,0,0,0,0|0,0,2]=4 7017 B15R1.640 CCOC(=O)C(Cc1ccccc1)S[13CH3] 62a_200025704644_100000742553 [0,2,0,0,0,0|0,0,2]=4 7018 B15R1.640 CCOC(=O)C(Nc1ccccc1)SC 34a_100000106764_100009893047 [0,2,0,0,0,0|1,0,1]=4 7019 B15R1.640 CCOC(=O)C(Oc1ccccc1)SC 34a_100000210340_100009893047 [0,2,0,0,0,0|1,0,1]=4 7020 B15R1.640 CCOC(=O)C(SC)Sc1ccccc1 62a_100000719477_100009893047 [0,2,0,0,0,0|1,0,1]=4 7021 B15R1.640 CCOC(=O)C(SC)Sc1ccccc1 62a_100009893047_100000041952 [0,2,0,0,0,0|1,0,1]=4 7022 B15R1.640 CNNC(=O)C(=Cc1ccccc1)C#N 22a_100016993582_100000162679 [0,2,0,0,0,0|2,0,0]=4 7023 B15R1.640 N#CC(=Cc1ccccc1)C(=O)CCF 1458a_100000162679_100011217306 [0,2,0,0,0,0|2,0,0]=4 7024 B15R1.640 N#CC(=Cc1ccccc1)C(=O)CCO 1458a_100000162679_100000211926 [0,2,0,0,0,0|2,0,0]=4 7025 B15R1.973 C=C(Cc1ccccc1)C(=O)N(C)CC 11a_100000225621_100000066491 [0,2,0,0,0,0|1,0,1]=4 7026 B15R1.973 C=C(Cc1ccccc1)C(=O)N(C)CC 1626a_100000225621_100000066491 [0,2,0,0,0,0|1,0,1]=4 7027 B15R1.973 CCC(C)C(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000758301 [0,2,0,0,0,0|1,0,0]=3 7028 B15R1.973 CCC(C)C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000758301 [0,2,0,0,0,0|1,0,0]=3 7029 B15R1.973 CCC(C)C(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000758301 [0,2,0,0,0,0|2,0,0]=4 7030 B15R1.973 CCC(C)C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000758301 [0,2,0,0,0,0|1,0,0]=3 7031 B15R1.973 CCC(C)C(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000758301 [0,2,0,0,0,0|2,0,0]=4 7032 B15R1.973 CCC(C)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000758301 [0,2,0,0,0,0|2,0,0]=4 7033 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000225621_100016990649 [0,2,0,0,0,0|1,0,0]=3 7034 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000225621_100016990649 [0,2,0,0,0,0|1,0,0]=3 7035 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000225621_100016990649 [0,2,0,0,0,0|1,0,0]=3 7036 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000225621_200020598536 [0,2,0,0,0,0|1,0,0]=3 7037 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000225621_200020598536 [0,2,0,0,0,0|1,0,0]=3 7038 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000225621_200020598536 [0,2,0,0,0,0|1,0,0]=3 7039 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000225621_200020598536 [0,2,0,0,0,0|1,0,0]=3 7040 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccn1)/C 11a_100000225621_100025712827 [0,2,0,0,0,0|2,0,0]=4 7041 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccn1)/C 1626a_100000225621_100025712827 [0,2,0,0,0,0|2,0,0]=4 7042 B15R1.973 CCN(C)C(=O)/C(=C/c1ccccn1)/C 527a_100000225621_100025712827 [0,2,0,0,0,0|2,0,0]=4 7043 B15R1.973 CCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000225621_100020889036 [0,2,0,0,0,0|1,0,0]=3 7044 B15R1.973 CCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000225621_100020889036 [0,2,0,0,0,0|1,0,0]=3 7045 B15R1.973 CCN(C)C(=O)C(=Cc1cccnc1)F 11a_100000225621_100000731744 [0,2,0,0,0,0|2,0,0]=4 7046 B15R1.973 CCN(C)C(=O)C(=Cc1cccnc1)F 240690a_100000225621_100000731744 [0,2,0,0,0,0|2,0,0]=4 7047 B15R1.973 CCN(C)C(=O)C(=Cc1cccnc1)F 527a_100000225621_100000731744 [0,2,0,0,0,0|2,0,0]=4 7048 B15R1.973 CCN(C)C(=O)C(=O)Nc1ccccc1 240690a_100000225621_100000738435 [0,2,0,0,0,0|2,0,0]=4 7049 B15R1.3960 CC(=Cc1ccccc1Cl)C(=O)CCF 1458a_100000693296_100011217306 [0,2,0,0,0,0|2,0,0]=4 7050 B15R1.3960 CC(=Cc1ccccc1Cl)C(=O)CCO 1458a_100000693296_100000211926 [0,2,0,0,0,0|2,0,0]=4 7051 B15R1.3960 CCCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000210303 [0,2,0,0,0,0|1,0,0]=3 7052 B15R1.3960 CCCC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_100000210303 [0,2,0,0,0,0|2,0,0]=4 7053 B15R1.3960 CCCC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_100000210303 [0,2,0,0,0,0|2,0,0]=4 7054 B15R1.3960 CCNC(=O)C(=Cc1ccccc1Cl)C 11a_100015525214_100000693296 [0,2,0,0,0,0|1,0,0]=3 7055 B15R1.3960 CCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100015525214_100000693296 [0,2,0,0,0,0|1,0,0]=3 7056 B15R1.3960 CCNC(=O)C(=Cc1ccccc1Cl)C 527a_100015525214_100000693296 [0,2,0,0,0,0|1,0,0]=3 7057 B15R1.3960 CCNC(=O)C(=O)Cc1ccccc1Br 1458a_200011297158_100000184730 [0,2,0,0,0,0|1,0,1]=4 7058 B15R1.3960 CCNC(=O)C(=O)Cc1ccccc1C 1458a_200011297158_100000211839 [0,2,0,0,0,0|1,0,1]=4 7059 B15R1.3960 CCNC(=O)C(=O)Cc1ccccc1Cl 1458a_200011297158_100000187162 [0,2,0,0,0,0|1,0,1]=4 7060 B15R1.3960 CCNC(=O)C(=O)Cc1ccccc1F 1458a_200011297158_100000187165 [0,2,0,0,0,0|1,0,1]=4 7061 B15R1.3960 CCNC(=O)C(=O)Cc1ccccc1I 1458a_200011297158_100011216222 [0,2,0,0,0,0|1,0,1]=4 7062 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_200011297158 [0,2,0,0,0,0|2,0,0]=4 7063 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_200011297158 [0,2,0,0,0,0|2,0,0]=4 7064 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1C 22a_100015192222_200011297158 [0,2,0,0,0,0|2,0,0]=4 7065 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1C 240690a_100015525214_200011297352 [0,2,0,0,0,0|2,0,0]=4 7066 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1C 527a_100015192222_200011297158 [0,2,0,0,0,0|2,0,0]=4 7067 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_200011297158 [0,2,0,0,0,0|2,0,0]=4 7068 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_200011297158 [0,2,0,0,0,0|2,0,0]=4 7069 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1Cl 240690a_100015525214_200011297307 [0,2,0,0,0,0|2,0,0]=4 7070 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_200011297158 [0,2,0,0,0,0|2,0,0]=4 7071 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_200011297158 [0,2,0,0,0,0|2,0,0]=4 7072 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1F 22a_100000210422_200011297158 [0,2,0,0,0,0|2,0,0]=4 7073 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1F 240690a_100015525214_200011297310 [0,2,0,0,0,0|2,0,0]=4 7074 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1F 527a_100000210422_200011297158 [0,2,0,0,0,0|2,0,0]=4 7075 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_200011297158 [0,2,0,0,0,0|2,0,0]=4 7076 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1O 22a_100000185747_200011297158 [0,2,0,0,0,0|2,0,0]=4 7077 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1O 527a_100000185747_200011297158 [0,2,0,0,0,0|2,0,0]=4 7078 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Br 11a_100000210017_100014798877 [0,2,0,0,0,0|1,0,0]=3 7079 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_100014798877 [0,2,0,0,0,0|1,0,0]=3 7080 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1C 11a_100015192222_100014798877 [0,2,0,0,0,0|1,0,0]=3 7081 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_100014798877 [0,2,0,0,0,0|1,0,0]=3 7082 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Cl 11a_100000185783_100014798877 [0,2,0,0,0,0|1,0,0]=3 7083 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_100014798877 [0,2,0,0,0,0|1,0,0]=3 7084 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1F 11a_100000210422_100014798877 [0,2,0,0,0,0|1,0,0]=3 7085 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_100014798877 [0,2,0,0,0,0|1,0,0]=3 7086 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1I 11a_100000210053_100014798877 [0,2,0,0,0,0|1,0,0]=3 7087 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_100014798877 [0,2,0,0,0,0|1,0,0]=3 7088 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1Br 34a_100000210017_100011216346 [0,2,0,0,0,0|1,0,1]=4 7089 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1C 34a_100015192222_100011216346 [0,2,0,0,0,0|1,0,1]=4 7090 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1Cl 34a_100000185783_100011216346 [0,2,0,0,0,0|1,0,1]=4 7091 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1F 34a_100000210422_100011216346 [0,2,0,0,0,0|1,0,1]=4 7092 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1I 34a_100000210053_100011216346 [0,2,0,0,0,0|1,0,1]=4 7093 B15R1.3960 CCOC(=O)C(C)Nc1ccccc1O 34a_100000185747_100011216346 [0,2,0,0,0,0|1,0,1]=4 7094 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Br 34a_100000181306_100011216346 [0,2,0,0,0,0|1,0,1]=4 7095 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100011216346 [0,2,0,0,0,0|1,0,1]=4 7096 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1C 34a_100000210338_100011216346 [0,2,0,0,0,0|1,0,1]=4 7097 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1C 7a_100000210338_100011216346 [0,2,0,0,0,0|1,0,1]=4 7098 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Cl 34a_100000210172_100011216346 [0,2,0,0,0,0|1,0,1]=4 7099 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100011216346 [0,2,0,0,0,0|1,0,1]=4 7100 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1F 34a_100000210171_100011216346 [0,2,0,0,0,0|1,0,1]=4 7101 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1F 7a_100000210171_100011216346 [0,2,0,0,0,0|1,0,1]=4 7102 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1I 34a_100000739446_100011216346 [0,2,0,0,0,0|1,0,1]=4 7103 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1I 7a_100000739446_100011216346 [0,2,0,0,0,0|1,0,1]=4 7104 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1N 34a_100000185747_100011216346 [0,2,0,0,0,0|1,0,1]=4 7105 B15R1.3960 CCOC(=O)C(C)Oc1ccccc1N 7a_100000185747_100011216346 [0,2,0,0,0,0|1,0,1]=4 7106 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100011216346 [0,2,0,0,0,0|1,0,1]=4 7107 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Br 62a_100011216346_100000695589 [0,2,0,0,0,0|1,0,1]=4 7108 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1C 62a_100000210755_100011216346 [0,2,0,0,0,0|1,0,1]=4 7109 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1C 62a_100011216346_100000210755 [0,2,0,0,0,0|1,0,1]=4 7110 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100011216346 [0,2,0,0,0,0|1,0,1]=4 7111 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1Cl 62a_100011216346_100000764095 [0,2,0,0,0,0|1,0,1]=4 7112 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1F 62a_100011215700_100011216346 [0,2,0,0,0,0|1,0,1]=4 7113 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1F 62a_100011216346_100011215700 [0,2,0,0,0,0|1,0,1]=4 7114 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1N 62a_100000210017_100011216346 [0,2,0,0,0,0|1,0,1]=4 7115 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1N 62a_100011216346_100000210017 [0,2,0,0,0,0|1,0,1]=4 7116 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1O 62a_100000739446_100011216346 [0,2,0,0,0,0|1,0,1]=4 7117 B15R1.3960 CCOC(=O)C(C)Sc1ccccc1O 62a_100011216346_100000739446 [0,2,0,0,0,0|1,0,1]=4 7118 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1Br 34a_100000210017_100000760018 [0,2,0,0,0,0|1,0,1]=4 7119 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1C 34a_100015192222_100000760018 [0,2,0,0,0,0|1,0,1]=4 7120 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1Cl 34a_100000185783_100000760018 [0,2,0,0,0,0|1,0,1]=4 7121 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1F 34a_100000210422_100000760018 [0,2,0,0,0,0|1,0,1]=4 7122 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1I 34a_100000210053_100000760018 [0,2,0,0,0,0|1,0,1]=4 7123 B15R1.3960 CCOC(=O)C(F)Nc1ccccc1O 34a_100000185747_100000760018 [0,2,0,0,0,0|1,0,1]=4 7124 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Br 34a_100000181306_100000760018 [0,2,0,0,0,0|1,0,1]=4 7125 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Br 7a_100000181306_100000040065 [0,2,0,0,0,0|1,0,1]=4 7126 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1C 34a_100000210338_100000760018 [0,2,0,0,0,0|1,0,1]=4 7127 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1C 7a_100000210338_100000040065 [0,2,0,0,0,0|1,0,1]=4 7128 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Cl 34a_100000210172_100000760018 [0,2,0,0,0,0|1,0,1]=4 7129 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1Cl 7a_100000210172_100000040065 [0,2,0,0,0,0|1,0,1]=4 7130 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1F 34a_100000210171_100000760018 [0,2,0,0,0,0|1,0,1]=4 7131 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1F 7a_100000210171_100000040065 [0,2,0,0,0,0|1,0,1]=4 7132 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1I 34a_100000739446_100000760018 [0,2,0,0,0,0|1,0,1]=4 7133 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1I 7a_100000739446_100000040065 [0,2,0,0,0,0|1,0,1]=4 7134 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1N 34a_100000185747_100000760018 [0,2,0,0,0,0|1,0,1]=4 7135 B15R1.3960 CCOC(=O)C(F)Oc1ccccc1N 7a_100000185747_100000040065 [0,2,0,0,0,0|1,0,1]=4 7136 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Br 62a_100000695589_100000760018 [0,2,0,0,0,0|1,0,1]=4 7137 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Br 62a_100000760018_100000695589 [0,2,0,0,0,0|1,0,1]=4 7138 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1C 62a_100000210755_100000760018 [0,2,0,0,0,0|1,0,1]=4 7139 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1C 62a_100000760018_100000210755 [0,2,0,0,0,0|1,0,1]=4 7140 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Cl 62a_100000760018_100000764095 [0,2,0,0,0,0|1,0,1]=4 7141 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1Cl 62a_100000764095_100000760018 [0,2,0,0,0,0|1,0,1]=4 7142 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1F 62a_100000760018_100011215700 [0,2,0,0,0,0|1,0,1]=4 7143 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1F 62a_100011215700_100000760018 [0,2,0,0,0,0|1,0,1]=4 7144 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1N 62a_100000210017_100000760018 [0,2,0,0,0,0|1,0,1]=4 7145 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1N 62a_100000760018_100000210017 [0,2,0,0,0,0|1,0,1]=4 7146 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1O 62a_100000739446_100000760018 [0,2,0,0,0,0|1,0,1]=4 7147 B15R1.3960 CCOC(=O)C(F)Sc1ccccc1O 62a_100000760018_100000739446 [0,2,0,0,0,0|1,0,1]=4 7148 B15R1.3960 CNNC(=O)C(=Cc1ccccc1Cl)C 22a_100016993582_100000693296 [0,2,0,0,0,0|2,0,0]=4 7149 B15R1.10540 CCOC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100011216345 [0,2,0,0,0,0|1,0,1]=4 7150 B15R1.10540 CCOC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100011216345 [0,2,0,0,0,0|1,0,1]=4 7151 B15R1.10540 CCOC(=O)C(C)(C)Sc1ccccc1 62a_100011216345_100000041952 [0,2,0,0,0,0|1,0,1]=4 7152 B15R1.10540 CCOC(=O)C(F)(F)Nc1ccccc1 34a_100000106764_100000210910 [0,2,0,0,0,0|1,0,1]=4 7153 B15R1.10540 CCOC(=O)C(F)(F)Oc1ccccc1 34a_100000210340_100000210910 [0,2,0,0,0,0|1,0,1]=4 7154 B15R1.10540 CCOC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100000210910 [0,2,0,0,0,0|1,0,1]=4 7155 B15R1.10540 CCOC(=O)C(F)(F)Sc1ccccc1 62a_100000210910_100000041952 [0,2,0,0,0,0|1,0,1]=4 7156 B15R1.10540 CCOC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100000210910 [0,2,0,0,0,0|1,0,1]=4 7157 B15R1.78 C#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731252 [0,2,0,0,0,0|1,0,0]=3 7158 B15R1.78 C#CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000731252 [0,2,0,0,0,0|2,0,0]=4 7159 B15R1.78 C#CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000731252 [0,2,0,0,0,0|2,0,0]=4 7160 B15R1.78 C#CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000731252 [0,2,0,0,0,0|2,0,0]=4 7161 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 11a_100000755551_100000210462 [0,2,0,0,0,0|1,0,0]=3 7162 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 1626a_100000755551_100000210462 [0,2,0,0,0,0|1,0,0]=3 7163 B15R1.78 C#CCCNC(=O)C=Cc1ccccn1 11a_100000755551_100000740811 [0,2,0,0,0,0|2,0,0]=4 7164 B15R1.78 C#CCCNC(=O)C=Cc1ccccn1 240690a_100000755551_100000740811 [0,2,0,0,0,0|2,0,0]=4 7165 B15R1.78 C#CCCNC(=O)C=Cc1cccnc1 11a_100000755551_100000735890 [0,2,0,0,0,0|2,0,0]=4 7166 B15R1.78 C#CCCNC(=O)C=Cc1cccnc1 240690a_100000755551_100000735890 [0,2,0,0,0,0|2,0,0]=4 7167 B15R1.78 C#CCCNC(=O)C=Cc1ccncc1 240690a_100000755551_100000682801 [0,2,0,0,0,0|2,0,0]=4 7168 B15R1.78 C=CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757094 [0,2,0,0,0,0|1,0,0]=3 7169 B15R1.78 C=CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757094 [0,2,0,0,0,0|2,0,0]=4 7170 B15R1.78 C=CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757094 [0,2,0,0,0,0|2,0,0]=4 7171 B15R1.78 C=CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757094 [0,2,0,0,0,0|2,0,0]=4 7172 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 11a_100015191253_100000210462 [0,2,0,0,0,0|1,0,0]=3 7173 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 1626a_100015191253_100000210462 [0,2,0,0,0,0|1,0,0]=3 7174 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 11a_100015191253_100000740811 [0,2,0,0,0,0|2,0,0]=4 7175 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 240690a_100015191253_100000740811 [0,2,0,0,0,0|2,0,0]=4 7176 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 11a_100015191253_100000735890 [0,2,0,0,0,0|2,0,0]=4 7177 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 240690a_100015191253_100000735890 [0,2,0,0,0,0|2,0,0]=4 7178 B15R1.78 C=CCCNC(=O)C=Cc1ccncc1 240690a_100015191253_100000682801 [0,2,0,0,0,0|2,0,0]=4 7179 B15R1.78 C=CCNNC(=O)C=Cc1ccccc1 22a_100020588587_100000210462 [0,2,0,0,0,0|1,0,1]=4 7180 B15R1.78 C=COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000039644 [0,2,0,0,0,0|0,0,2]=4 7181 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 11a_100000685387_100000210462 [0,2,0,0,0,0|1,0,0]=3 7182 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 1626a_100000685387_100000210462 [0,2,0,0,0,0|1,0,0]=3 7183 B15R1.78 CC#CCNC(=O)C=Cc1ccccn1 11a_100000685387_100000740811 [0,2,0,0,0,0|2,0,0]=4 7184 B15R1.78 CC#CCNC(=O)C=Cc1cccnc1 11a_100000685387_100000735890 [0,2,0,0,0,0|2,0,0]=4 7185 B15R1.78 CC(=NNCCO)C=Cc1ccccc1 4a_100000210001_100000204604 [0,2,0,0,0,0|2,0,0]=4 7186 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccc1 1458a_100000210462_100103147603 [0,2,0,0,0,0|1,0,0]=3 7187 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccn1 1458a_100000740811_100103147603 [0,2,0,0,0,0|2,0,0]=4 7188 B15R1.78 CC/C=C\CC(=O)C=Cc1cccnc1 1458a_100000735890_100103147603 [0,2,0,0,0,0|2,0,0]=4 7189 B15R1.78 CC/C=C\CC(=O)C=Cc1ccncc1 1458a_100000682801_100103147603 [0,2,0,0,0,0|2,0,0]=4 7190 B15R1.78 CCC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100009813939 [0,2,0,0,0,0|1,0,0]=3 7191 B15R1.78 CCC#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100009813939 [0,2,0,0,0,0|2,0,0]=4 7192 B15R1.78 CCC#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100009813939 [0,2,0,0,0,0|2,0,0]=4 7193 B15R1.78 CCC#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100009813939 [0,2,0,0,0,0|2,0,0]=4 7194 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [0,2,0,0,0,0|1,0,0]=3 7195 B15R1.78 CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210326 [0,2,0,0,0,0|2,0,0]=4 7196 B15R1.78 CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210326 [0,2,0,0,0,0|2,0,0]=4 7197 B15R1.78 CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210326 [0,2,0,0,0,0|2,0,0]=4 7198 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [0,2,0,0,0,0|1,0,0]=3 7199 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [0,2,0,0,0,0|1,0,0]=3 7200 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 11a_100000102301_100000740811 [0,2,0,0,0,0|2,0,0]=4 7201 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 240690a_100000102301_100000740811 [0,2,0,0,0,0|2,0,0]=4 7202 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 11a_100000102301_100000735890 [0,2,0,0,0,0|2,0,0]=4 7203 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 240690a_100000102301_100000735890 [0,2,0,0,0,0|2,0,0]=4 7204 B15R1.78 CCCCNC(=O)C=Cc1ccncc1 240690a_100000102301_100000682801 [0,2,0,0,0,0|2,0,0]=4 7205 B15R1.78 CCCCOC(=O)CNc1ccccc1 34a_100000106764_100000211628 [0,2,0,0,0,0|1,0,1]=4 7206 B15R1.78 CCCCOC(=O)COc1ccccc1 34a_100000210340_100000211628 [0,2,0,0,0,0|1,0,1]=4 7207 B15R1.78 CCCCOC(=O)COc1ccccc1 7a_100000210340_100000211628 [0,2,0,0,0,0|1,0,1]=4 7208 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000211628_100000041952 [0,2,0,0,0,0|1,0,1]=4 7209 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000719477_100000211628 [0,2,0,0,0,0|1,0,1]=4 7210 B15R1.78 CCCNN=C(C)C=Cc1ccccc1 4a_100000740057_100000204604 [0,2,0,0,0,0|2,0,0]=4 7211 B15R1.78 CCCNNC(=O)C=Cc1ccccc1 22a_100000740057_100000210462 [0,2,0,0,0,0|1,0,0]=3 7212 B15R1.78 CCCNNC(=O)C=Cc1ccccn1 22a_100000740057_100000740811 [0,2,0,0,0,0|2,0,0]=4 7213 B15R1.78 CCCNNC(=O)C=Cc1cccnc1 22a_100000740057_100000735890 [0,2,0,0,0,0|2,0,0]=4 7214 B15R1.78 CCCNNC(=O)C=Cc1ccncc1 22a_100000740057_100000682801 [0,2,0,0,0,0|2,0,0]=4 7215 B15R1.78 CCCOCC(=O)C=Cc1cncnc1 6a_100000749868_100010632825 [0,2,0,0,0,0|2,0,0]=4 7216 B15R1.78 CCCOCC(=O)CCc1ccccc1 1458a_100000745993_100000765856 [0,2,0,0,0,0|0,0,2]=4 7217 B15R1.78 CCCOCC(=O)CCc1ccccc1 34a_100000210258_100012361361 [0,2,0,0,0,0|0,0,2]=4 7218 B15R1.78 CCCOCC(=O)NCc1ccccc1 11a_100015324214_100000745993 [0,2,0,0,0,0|1,0,1]=4 7219 B15R1.78 CCCOCC(=O)NCc1ccccc1 1626a_100015324214_100000745993 [0,2,0,0,0,0|1,0,1]=4 7220 B15R1.78 CCCOCC(=O)NCc1ccccc1 240690a_100015324214_100000745993 [0,2,0,0,0,0|1,0,1]=4 7221 B15R1.78 CCCOCC(=O)NCc1ccccc1 34a_100000210258_100000183539 [0,2,0,0,0,0|1,0,1]=4 7222 B15R1.78 CCCOCC(=O)NCc1ccccc1 527a_100015324214_100000745993 [0,2,0,0,0,0|1,0,1]=4 7223 B15R1.78 CCCOCC(=O)NNc1ccccc1 22a_100015195140_100000745993 [0,2,0,0,0,0|2,0,0]=4 7224 B15R1.78 CCCOCC(=O)OCc1ccccc1 34a_100000210258_100000753625 [0,2,0,0,0,0|1,0,1]=4 7225 B15R1.78 CCOC=CC(=O)CCc1ccccc1 1458a_100016266692_100000765856 [0,2,0,0,0,0|0,0,2]=4 7226 B15R1.78 CCOC=CC(=O)NCc1ccccc1 11a_100015324214_100016266692 [0,2,0,0,0,0|1,0,1]=4 7227 B15R1.78 CCOC=CC(=O)NCc1ccccc1 1626a_100015324214_100016266692 [0,2,0,0,0,0|1,0,1]=4 7228 B15R1.78 CCOC=CC(=O)NCc1ccccc1 240690a_100015324214_100016266692 [0,2,0,0,0,0|1,0,1]=4 7229 B15R1.78 CCOC=CC(=O)NNc1ccccc1 22a_100015195140_100016266692 [0,2,0,0,0,0|2,0,0]=4 7230 B15R1.78 CCOCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011215890 [0,2,0,0,0,0|0,0,2]=4 7231 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [0,2,0,0,0,0|0,0,0]=2 7232 B15R1.78 CCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215890 [0,2,0,0,0,0|1,0,0]=3 7233 B15R1.78 CCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215890 [0,2,0,0,0,0|1,0,0]=3 7234 B15R1.78 CCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215890 [0,2,0,0,0,0|1,0,0]=3 7235 B15R1.78 CCOCCC(=O)C=Cc1cncnc1 6a_100000749868_200011216536 [0,2,0,0,0,0|2,0,0]=4 7236 B15R1.78 CCOCCC(=O)CCc1ccccc1 1458a_100000185753_100011215890 [0,2,0,0,0,0|0,0,2]=4 7237 B15R1.78 CCOCCC(=O)CCc1ccccc1 1458a_100000749530_100000765856 [0,2,0,0,0,0|0,0,2]=4 7238 B15R1.78 CCOCCC(=O)COc1ccccc1 1458a_100000186222_100011215890 [0,2,0,0,0,0|1,0,1]=4 7239 B15R1.78 CCOCCC(=O)CSc1ccccc1 1458a_100000211596_100011215890 [0,2,0,0,0,0|1,0,1]=4 7240 B15R1.78 CCOCCC(=O)NCc1ccccc1 11a_100015324214_100000749530 [0,2,0,0,0,0|1,0,1]=4 7241 B15R1.78 CCOCCC(=O)NCc1ccccc1 1626a_100015324214_100000749530 [0,2,0,0,0,0|1,0,1]=4 7242 B15R1.78 CCOCCC(=O)NCc1ccccc1 240690a_100015324214_100000749530 [0,2,0,0,0,0|1,0,1]=4 7243 B15R1.78 CCOCCC(=O)NCc1ccccc1 527a_100015324214_100000749530 [0,2,0,0,0,0|1,0,1]=4 7244 B15R1.78 CCOCCC(=O)NNc1ccccc1 22a_100015195140_100000749530 [0,2,0,0,0,0|2,0,0]=4 7245 B15R1.78 CCOCCC(=O)OCc1ccccc1 7a_100009831632_100000210202 [0,2,0,0,0,0|1,0,1]=4 7246 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [0,2,0,0,0,0|0,1,0]=3 7247 B15R1.78 CCSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757381 [0,2,0,0,0,0|1,1,0]=4 7248 B15R1.78 CCSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757381 [0,2,0,0,0,0|1,1,0]=4 7249 B15R1.78 CCSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757381 [0,2,0,0,0,0|1,1,0]=4 7250 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [0,2,0,0,0,0|1,0,0]=3 7251 B15R1.78 COCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000740836 [0,2,0,0,0,0|2,0,0]=4 7252 B15R1.78 COCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000740836 [0,2,0,0,0,0|2,0,0]=4 7253 B15R1.78 COCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000740836 [0,2,0,0,0,0|2,0,0]=4 7254 B15R1.78 COCCNC(=O)C=Cc1ccccc1 1626a_100000209980_100000210462 [0,2,0,0,0,0|1,0,0]=3 7255 B15R1.78 COCCNC(=O)C=Cc1ccccn1 240690a_100000209980_100000740811 [0,2,0,0,0,0|2,0,0]=4 7256 B15R1.78 COCCNC(=O)C=Cc1cccnc1 240690a_100000209980_100000735890 [0,2,0,0,0,0|2,0,0]=4 7257 B15R1.78 COCCNC(=O)C=Cc1ccncc1 240690a_100000209980_100000682801 [0,2,0,0,0,0|2,0,0]=4 7258 B15R1.78 COCCOC(=O)CNc1ccccc1 34a_100000106764_200000040189 [0,2,0,0,0,0|1,0,1]=4 7259 B15R1.78 COCCOC(=O)COc1ccccc1 34a_100000210340_200000040189 [0,2,0,0,0,0|1,0,1]=4 7260 B15R1.78 COCCOC(=O)COc1ccccc1 7a_100000210340_200000040189 [0,2,0,0,0,0|1,0,1]=4 7261 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_100000719477_200000040189 [0,2,0,0,0,0|1,0,1]=4 7262 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_200000040189_100000041952 [0,2,0,0,0,0|1,0,1]=4 7263 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 11a_100020590264_100000210462 [0,2,0,0,0,0|1,0,0]=3 7264 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 1626a_100020590264_100000210462 [0,2,0,0,0,0|1,0,0]=3 7265 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 11a_100020590264_100000740811 [0,2,0,0,0,0|2,0,0]=4 7266 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 240690a_100020590264_100000740811 [0,2,0,0,0,0|2,0,0]=4 7267 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 11a_100020590264_100000735890 [0,2,0,0,0,0|2,0,0]=4 7268 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 240690a_100020590264_100000735890 [0,2,0,0,0,0|2,0,0]=4 7269 B15R1.78 CSCCNC(=O)C=Cc1ccncc1 240690a_100020590264_100000682801 [0,2,0,0,0,0|2,0,0]=4 7270 B15R1.78 N#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211468 [0,2,0,0,0,0|1,0,0]=3 7271 B15R1.78 N#CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000211468 [0,2,0,0,0,0|2,0,0]=4 7272 B15R1.78 N#CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000211468 [0,2,0,0,0,0|2,0,0]=4 7273 B15R1.78 N#CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000211468 [0,2,0,0,0,0|2,0,0]=4 7274 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 11a_100000720768_100000210462 [0,2,0,0,0,0|1,0,0]=3 7275 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 1626a_100000720768_100000210462 [0,2,0,0,0,0|1,0,0]=3 7276 B15R1.78 N#CCCNC(=O)C=Cc1ccccn1 11a_100000720768_100000740811 [0,2,0,0,0,0|2,0,0]=4 7277 B15R1.78 N#CCCNC(=O)C=Cc1ccccn1 240690a_100000720768_100000740811 [0,2,0,0,0,0|2,0,0]=4 7278 B15R1.78 N#CCCNC(=O)C=Cc1cccnc1 11a_100000720768_100000735890 [0,2,0,0,0,0|2,0,0]=4 7279 B15R1.78 N#CCCNC(=O)C=Cc1cccnc1 240690a_100000720768_100000735890 [0,2,0,0,0,0|2,0,0]=4 7280 B15R1.78 N#CCCNC(=O)C=Cc1ccncc1 240690a_100000720768_100000682801 [0,2,0,0,0,0|2,0,0]=4 7281 B15R1.78 NCCOCC(=O)CCc1ccccc1 34a_100000210304_100012361361 [0,2,0,0,0,0|0,0,2]=4 7282 B15R1.78 NCCOCC(=O)NCc1ccccc1 34a_100000210304_100000183539 [0,2,0,0,0,0|1,0,1]=4 7283 B15R1.78 NCCOCC(=O)OCc1ccccc1 34a_100000210304_100000753625 [0,2,0,0,0,0|1,0,1]=4 7284 B15R1.78 O=C(C=Cc1ccccc1)CC#CCO 1458a_100000210462_200000047223 [0,2,0,0,0,0|1,0,1]=4 7285 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [0,2,0,0,0,0|1,0,0]=3 7286 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [0,2,0,0,0,0|1,0,0]=3 7287 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 11a_100015189416_100000210462 [0,2,0,0,0,0|1,0,0]=3 7288 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 1626a_100015189416_100000210462 [0,2,0,0,0,0|1,0,0]=3 7289 B15R1.78 O=C(C=Cc1ccccc1)NNCCO 22a_100000210001_100000210462 [0,2,0,0,0,0|1,0,0]=3 7290 B15R1.78 O=C(C=Cc1ccccn1)CCCCF 1458a_100000740811_100000729493 [0,2,0,0,0,0|2,0,0]=4 7291 B15R1.78 O=C(C=Cc1ccccn1)CCCCO 1458a_100000740811_100000210776 [0,2,0,0,0,0|2,0,0]=4 7292 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 11a_100015189416_100000740811 [0,2,0,0,0,0|2,0,0]=4 7293 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 240690a_100015189416_100000740811 [0,2,0,0,0,0|2,0,0]=4 7294 B15R1.78 O=C(C=Cc1ccccn1)NCCCO 240690a_100000182051_100000740811 [0,2,0,0,0,0|2,0,0]=4 7295 B15R1.78 O=C(C=Cc1ccccn1)NNCCO 22a_100000210001_100000740811 [0,2,0,0,0,0|2,0,0]=4 7296 B15R1.78 O=C(C=Cc1cccnc1)CCCCF 1458a_100000735890_100000729493 [0,2,0,0,0,0|2,0,0]=4 7297 B15R1.78 O=C(C=Cc1cccnc1)CCCCO 1458a_100000735890_100000210776 [0,2,0,0,0,0|2,0,0]=4 7298 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 11a_100015189416_100000735890 [0,2,0,0,0,0|2,0,0]=4 7299 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 240690a_100015189416_100000735890 [0,2,0,0,0,0|2,0,0]=4 7300 B15R1.78 O=C(C=Cc1cccnc1)NCCCO 240690a_100000182051_100000735890 [0,2,0,0,0,0|2,0,0]=4 7301 B15R1.78 O=C(C=Cc1cccnc1)NNCCO 22a_100000210001_100000735890 [0,2,0,0,0,0|2,0,0]=4 7302 B15R1.78 O=C(C=Cc1ccncc1)CCCCF 1458a_100000682801_100000729493 [0,2,0,0,0,0|2,0,0]=4 7303 B15R1.78 O=C(C=Cc1ccncc1)CCCCO 1458a_100000682801_100000210776 [0,2,0,0,0,0|2,0,0]=4 7304 B15R1.78 O=C(C=Cc1ccncc1)NCCCF 240690a_100015189416_100000682801 [0,2,0,0,0,0|2,0,0]=4 7305 B15R1.78 O=C(C=Cc1ccncc1)NCCCO 240690a_100000182051_100000682801 [0,2,0,0,0,0|2,0,0]=4 7306 B15R1.78 O=C(C=Cc1ccncc1)NNCCO 22a_100000210001_100000682801 [0,2,0,0,0,0|2,0,0]=4 7307 B15R1.78 O=C(CCc1ccccc1)COCCBr 34a_100000211926_100012361361 [0,2,0,0,0,0|0,0,2]=4 7308 B15R1.78 O=C(CCc1ccccc1)COCCO 1458a_100000708028_100000765856 [0,2,0,0,0,0|0,0,2]=4 7309 B15R1.78 O=C(COCCBr)NCc1ccccc1 34a_100000211926_100000183539 [0,2,0,0,0,0|1,0,1]=4 7310 B15R1.78 O=C(COCCBr)OCc1ccccc1 34a_100000211926_100000753625 [0,2,0,0,0,0|1,0,1]=4 7311 B15R1.78 O=C(COCCO)NCc1ccccc1 1626a_100015324214_100000708028 [0,2,0,0,0,0|1,0,1]=4 7312 B15R1.78 O=C(COCCO)NCc1ccccc1 240690a_100015324214_100000708028 [0,2,0,0,0,0|1,0,1]=4 7313 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000753159 [0,2,0,0,0,0|1,0,1]=4 7314 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000753159 [0,2,0,0,0,0|1,0,1]=4 7315 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000753159 [0,2,0,0,0,0|1,0,1]=4 7316 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000753159 [0,2,0,0,0,0|1,0,1]=4 7317 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000753159 [0,2,0,0,0,0|1,0,1]=4 7318 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000212058_100016267368 [0,2,0,0,0,0|1,0,1]=4 7319 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000212058_100016267368 [0,2,0,0,0,0|1,0,1]=4 7320 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 11a_100000212058_100000716854 [0,2,0,0,0,0|1,0,1]=4 7321 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 1626a_100000212058_100000716854 [0,2,0,0,0,0|1,0,1]=4 7322 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 240690a_100000212058_100000716854 [0,2,0,0,0,0|1,0,1]=4 7323 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000212058_100000184863 [0,2,0,0,0,0|1,0,1]=4 7324 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000212058_100000184863 [0,2,0,0,0,0|1,0,1]=4 7325 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000212058_100000184863 [0,2,0,0,0,0|1,0,1]=4 7326 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 11a_100000212058_100000182136 [0,2,0,0,0,0|1,0,1]=4 7327 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000212058_100000182136 [0,2,0,0,0,0|1,0,1]=4 7328 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000212058_100000182136 [0,2,0,0,0,0|1,0,1]=4 7329 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 11a_100000212058_100102526154 [0,2,0,0,0,0|1,0,1]=4 7330 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000212058_100102526154 [0,2,0,0,0,0|1,0,1]=4 7331 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000212058_100102526154 [0,2,0,0,0,0|1,0,1]=4 7332 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000212058_100016269017 [0,2,0,0,0,0|1,0,1]=4 7333 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100102629194 [0,2,0,0,0,0|1,0,1]=4 7334 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100102629194 [0,2,0,0,0,0|1,0,1]=4 7335 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100102629194 [0,2,0,0,0,0|1,0,1]=4 7336 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100102629194 [0,2,0,0,0,0|1,0,1]=4 7337 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100102629194 [0,2,0,0,0,0|1,0,1]=4 7338 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000754431 [0,2,0,0,0,0|1,0,1]=4 7339 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000762624 [0,2,0,0,0,0|1,0,1]=4 7340 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000754431 [0,2,0,0,0,0|1,0,1]=4 7341 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000754431 [0,2,0,0,0,0|1,0,1]=4 7342 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000754431 [0,2,0,0,0,0|1,0,1]=4 7343 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000762624 [0,2,0,0,0,0|1,0,1]=4 7344 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000754431 [0,2,0,0,0,0|1,0,1]=4 7345 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000762624 [0,2,0,0,0,0|1,0,1]=4 7346 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020586998_100016267368 [0,2,0,0,0,0|1,0,1]=4 7347 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C 1626a_100020586998_100000716854 [0,2,0,0,0,0|1,0,1]=4 7348 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C 240690a_100020586998_100000716854 [0,2,0,0,0,0|1,0,1]=4 7349 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020586998_100000184863 [0,2,0,0,0,0|1,0,1]=4 7350 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020586998_100000184863 [0,2,0,0,0,0|1,0,1]=4 7351 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F 1626a_100020586998_100000182136 [0,2,0,0,0,0|1,0,1]=4 7352 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F 240690a_100020586998_100000182136 [0,2,0,0,0,0|1,0,1]=4 7353 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)I 1626a_100020586998_100102526154 [0,2,0,0,0,0|1,0,1]=4 7354 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)I 240690a_100020586998_100102526154 [0,2,0,0,0,0|1,0,1]=4 7355 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)O 240690a_100020586998_100016269017 [0,2,0,0,0,0|1,0,1]=4 7356 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000748600 [0,2,0,0,0,0|1,0,1]=4 7357 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000748600 [0,2,0,0,0,0|1,0,1]=4 7358 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000748600 [0,2,0,0,0,0|1,0,1]=4 7359 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000748600 [0,2,0,0,0,0|1,0,1]=4 7360 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000748600 [0,2,0,0,0,0|1,0,1]=4 7361 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000070051 [0,2,0,0,0,0|1,0,1]=4 7362 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000070051 [0,2,0,0,0,0|1,0,1]=4 7363 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000070051 [0,2,0,0,0,0|1,0,1]=4 7364 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000070051 [0,2,0,0,0,0|1,0,1]=4 7365 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000070051 [0,2,0,0,0,0|1,0,1]=4 7366 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210211 [0,2,0,0,0,0|1,0,0]=3 7367 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000032102 [0,2,0,0,0,0|1,0,0]=3 7368 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210211 [0,2,0,0,0,0|1,0,0]=3 7369 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210211 [0,2,0,0,0,0|1,0,0]=3 7370 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210211 [0,2,0,0,0,0|1,0,0]=3 7371 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000032102 [0,2,0,0,0,0|1,0,0]=3 7372 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210211 [0,2,0,0,0,0|1,0,0]=3 7373 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000032102 [0,2,0,0,0,0|1,0,0]=3 7374 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000032102 [0,2,0,0,0,0|2,0,0]=4 7375 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210211 [0,2,0,0,0,0|2,0,0]=4 7376 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000032102 [0,2,0,0,0,0|2,0,0]=4 7377 B15R1.139 CCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210211 [0,2,0,0,0,0|2,0,0]=4 7378 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020643023_100016267368 [0,2,0,0,0,0|1,0,0]=3 7379 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020643023_100016267368 [0,2,0,0,0,0|1,0,0]=3 7380 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 11a_100020643023_100000716854 [0,2,0,0,0,0|1,0,0]=3 7381 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020643023_100000716854 [0,2,0,0,0,0|1,0,0]=3 7382 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020643023_100000716854 [0,2,0,0,0,0|1,0,0]=3 7383 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020643023_100000184863 [0,2,0,0,0,0|1,0,0]=3 7384 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020643023_100000184863 [0,2,0,0,0,0|1,0,0]=3 7385 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020643023_100000184863 [0,2,0,0,0,0|1,0,0]=3 7386 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 11a_100020643023_100000182136 [0,2,0,0,0,0|1,0,0]=3 7387 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020643023_100000182136 [0,2,0,0,0,0|1,0,0]=3 7388 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020643023_100000182136 [0,2,0,0,0,0|1,0,0]=3 7389 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 11a_100020643023_100102526154 [0,2,0,0,0,0|1,0,0]=3 7390 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020643023_100102526154 [0,2,0,0,0,0|1,0,0]=3 7391 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020643023_100102526154 [0,2,0,0,0,0|1,0,0]=3 7392 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020643023_100016269017 [0,2,0,0,0,0|1,0,0]=3 7393 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 11a_100020643023_100020630499 [0,2,0,0,0,0|2,0,0]=4 7394 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100020643023_100020630499 [0,2,0,0,0,0|2,0,0]=4 7395 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100020643023_100020630499 [0,2,0,0,0,0|2,0,0]=4 7396 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100020643023_100020588214 [0,2,0,0,0,0|2,0,0]=4 7397 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020643023_100020588214 [0,2,0,0,0,0|2,0,0]=4 7398 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020643023_100020588214 [0,2,0,0,0,0|2,0,0]=4 7399 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_200011215008 [0,2,0,0,0,0|1,0,1]=4 7400 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_200011215008 [0,2,0,0,0,0|1,0,1]=4 7401 B15R1.139 CCCOC(=O)CNc1ccc(cc1)C 34a_100000124888_200011215008 [0,2,0,0,0,0|1,0,1]=4 7402 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_200011215008 [0,2,0,0,0,0|1,0,1]=4 7403 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_200011215008 [0,2,0,0,0,0|1,0,1]=4 7404 B15R1.139 CCCOC(=O)CNc1ccc(cc1)F 34a_100000185862_200011215008 [0,2,0,0,0,0|1,0,1]=4 7405 B15R1.139 CCCOC(=O)CNc1ccc(cc1)I 34a_100000185761_200011215008 [0,2,0,0,0,0|1,0,1]=4 7406 B15R1.139 CCCOC(=O)CNc1ccc(cc1)O 34a_100000185829_200011215008 [0,2,0,0,0,0|1,0,1]=4 7407 B15R1.139 CCCOC(=O)COc1ccc(cc1)Br 34a_100000185759_200011215008 [0,2,0,0,0,0|1,0,1]=4 7408 B15R1.139 CCCOC(=O)COc1ccc(cc1)Br 7a_100000185759_200011215008 [0,2,0,0,0,0|1,0,1]=4 7409 B15R1.139 CCCOC(=O)COc1ccc(cc1)C 34a_100000210336_200011215008 [0,2,0,0,0,0|1,0,1]=4 7410 B15R1.139 CCCOC(=O)COc1ccc(cc1)C 7a_100000210336_200011215008 [0,2,0,0,0,0|1,0,1]=4 7411 B15R1.139 CCCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_200011215008 [0,2,0,0,0,0|1,0,1]=4 7412 B15R1.139 CCCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_200011215008 [0,2,0,0,0,0|1,0,1]=4 7413 B15R1.139 CCCOC(=O)COc1ccc(cc1)F 34a_100000210339_200011215008 [0,2,0,0,0,0|1,0,1]=4 7414 B15R1.139 CCCOC(=O)COc1ccc(cc1)I 34a_100000212066_200011215008 [0,2,0,0,0,0|1,0,1]=4 7415 B15R1.139 CCCOC(=O)COc1ccc(cc1)I 7a_100000212066_200011215008 [0,2,0,0,0,0|1,0,1]=4 7416 B15R1.139 CCCOC(=O)COc1ccc(cc1)N 34a_100000185829_200011215008 [0,2,0,0,0,0|1,0,1]=4 7417 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_200011215008 [0,2,0,0,0,0|1,0,1]=4 7418 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Br 62a_200011215008_100000752885 [0,2,0,0,0,0|1,0,1]=4 7419 B15R1.139 CCCOC(=O)CSc1ccc(cc1)C 62a_100000186775_200011215008 [0,2,0,0,0,0|1,0,1]=4 7420 B15R1.139 CCCOC(=O)CSc1ccc(cc1)C 62a_200011215008_100000186775 [0,2,0,0,0,0|1,0,1]=4 7421 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_200011215008 [0,2,0,0,0,0|1,0,1]=4 7422 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Cl 62a_200011215008_100000755918 [0,2,0,0,0,0|1,0,1]=4 7423 B15R1.139 CCCOC(=O)CSc1ccc(cc1)F 62a_100000211213_200011215008 [0,2,0,0,0,0|1,0,1]=4 7424 B15R1.139 CCCOC(=O)CSc1ccc(cc1)F 62a_200011215008_100000211213 [0,2,0,0,0,0|1,0,1]=4 7425 B15R1.139 CCCOC(=O)CSc1ccc(cc1)N 62a_100000185761_200011215008 [0,2,0,0,0,0|1,0,1]=4 7426 B15R1.139 CCCOC(=O)CSc1ccc(cc1)N 62a_200011215008_100000185761 [0,2,0,0,0,0|1,0,1]=4 7427 B15R1.139 CCCOC(=O)CSc1ccc(cc1)O 62a_200011215008_100000185759 [0,2,0,0,0,0|1,0,1]=4 7428 B15R1.139 CCNN=C(C)C=Cc1ccc(cc1)Br 4a_100000756455_200016259395 [0,2,0,0,0,0|2,0,0]=4 7429 B15R1.139 CCNN=C(C)C=Cc1ccc(cc1)Cl 4a_100000756455_100016256711 [0,2,0,0,0,0|2,0,0]=4 7430 B15R1.139 CCNN=C(C)C=Cc1ccc(cc1)O 4a_100000756455_100000189429 [0,2,0,0,0,0|2,0,0]=4 7431 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000756455_100016267368 [0,2,0,0,0,0|1,0,0]=3 7432 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)C 22a_100000756455_100000716854 [0,2,0,0,0,0|1,0,0]=3 7433 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000756455_100000184863 [0,2,0,0,0,0|1,0,0]=3 7434 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)F 22a_100000756455_100000182136 [0,2,0,0,0,0|1,0,0]=3 7435 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)I 22a_100000756455_100102526154 [0,2,0,0,0,0|1,0,0]=3 7436 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)O 22a_100000756455_100016269017 [0,2,0,0,0,0|1,0,0]=3 7437 B15R1.139 CCNNC(=O)C=Cc1ccc(cn1)F 22a_100000756455_100020630499 [0,2,0,0,0,0|2,0,0]=4 7438 B15R1.139 CCNNC(=O)C=Cc1ccc(nc1)Br 22a_100000756455_100020588214 [0,2,0,0,0,0|2,0,0]=4 7439 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000209952 [0,2,0,0,0,0|0,0,0]=2 7440 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000209952 [0,2,0,0,0,0|0,0,0]=2 7441 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000209952 [0,2,0,0,0,0|0,0,0]=2 7442 B15R1.139 CCOCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000209952 [0,2,0,0,0,0|1,0,0]=3 7443 B15R1.139 CCOCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000209952 [0,2,0,0,0,0|1,0,0]=3 7444 B15R1.139 CCOCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100000209952 [0,2,0,0,0,0|2,0,0]=4 7445 B15R1.139 CCOCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000209952 [0,2,0,0,0,0|2,0,0]=4 7446 B15R1.139 CCOCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100000209952 [0,2,0,0,0,0|2,0,0]=4 7447 B15R1.139 CCOCC(=O)CCc1ccc(cc1)Br 1458a_100000211967_100011740612 [0,2,0,0,0,0|0,0,2]=4 7448 B15R1.139 CCOCC(=O)CCc1ccc(cc1)C 1458a_100000211967_100011713686 [0,2,0,0,0,0|0,0,2]=4 7449 B15R1.139 CCOCC(=O)CCc1ccc(cc1)Cl 1458a_100000211967_100011713675 [0,2,0,0,0,0|0,0,2]=4 7450 B15R1.139 CCOCC(=O)CCc1ccc(cc1)F 1458a_100000211967_100011217392 [0,2,0,0,0,0|0,0,2]=4 7451 B15R1.139 CCOCC(=O)CCc1ccc(cc1)O 1458a_100000211967_100009816426 [0,2,0,0,0,0|0,0,2]=4 7452 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000211967 [0,2,0,0,0,0|1,0,1]=4 7453 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000211967 [0,2,0,0,0,0|1,0,1]=4 7454 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000211967 [0,2,0,0,0,0|1,0,1]=4 7455 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000211967 [0,2,0,0,0,0|1,0,1]=4 7456 B15R1.139 CCOCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000211967 [0,2,0,0,0,0|1,0,1]=4 7457 B15R1.139 CCOCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000211967 [0,2,0,0,0,0|1,0,1]=4 7458 B15R1.139 CCOCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000211967 [0,2,0,0,0,0|1,0,1]=4 7459 B15R1.139 CCOCC(=O)NCc1ccc(cc1)C 34a_100121572206_100000183211 [0,2,0,0,0,0|1,0,1]=4 7460 B15R1.139 CCOCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000211967 [0,2,0,0,0,0|1,0,1]=4 7461 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000211967 [0,2,0,0,0,0|1,0,1]=4 7462 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000211967 [0,2,0,0,0,0|1,0,1]=4 7463 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000211967 [0,2,0,0,0,0|1,0,1]=4 7464 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Cl 34a_100121572206_100000183476 [0,2,0,0,0,0|1,0,1]=4 7465 B15R1.139 CCOCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000211967 [0,2,0,0,0,0|1,0,1]=4 7466 B15R1.139 CCOCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000211967 [0,2,0,0,0,0|1,0,1]=4 7467 B15R1.139 CCOCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000211967 [0,2,0,0,0,0|1,0,1]=4 7468 B15R1.139 CCOCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000211967 [0,2,0,0,0,0|1,0,1]=4 7469 B15R1.139 CCOCC(=O)NCc1ccc(cc1)F 34a_100121572206_100000182461 [0,2,0,0,0,0|1,0,1]=4 7470 B15R1.139 CCOCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000211967 [0,2,0,0,0,0|1,0,1]=4 7471 B15R1.139 CCOCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000211967 [0,2,0,0,0,0|1,0,1]=4 7472 B15R1.139 CCOCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000211967 [0,2,0,0,0,0|1,0,1]=4 7473 B15R1.139 CCOCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000211967 [0,2,0,0,0,0|1,0,1]=4 7474 B15R1.139 CCOCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000211967 [0,2,0,0,0,0|1,0,1]=4 7475 B15R1.139 CCOCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000211967 [0,2,0,0,0,0|1,0,1]=4 7476 B15R1.139 CCOCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000211967 [0,2,0,0,0,0|1,0,1]=4 7477 B15R1.139 CCOCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000211967 [0,2,0,0,0,0|2,0,0]=4 7478 B15R1.139 CCOCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000211967 [0,2,0,0,0,0|2,0,0]=4 7479 B15R1.139 CCOCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000211967 [0,2,0,0,0,0|2,0,0]=4 7480 B15R1.139 CCOCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000211967 [0,2,0,0,0,0|2,0,0]=4 7481 B15R1.139 CCOCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000211967 [0,2,0,0,0,0|2,0,0]=4 7482 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216171 [0,2,0,0,0,0|0,1,0]=3 7483 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216171 [0,2,0,0,0,0|0,1,0]=3 7484 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216171 [0,2,0,0,0,0|0,1,0]=3 7485 B15R1.139 CCSCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_200011216171 [0,2,0,0,0,0|1,1,0]=4 7486 B15R1.139 CCSCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_200011216171 [0,2,0,0,0,0|1,1,0]=4 7487 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000233755 [0,2,0,0,0,0|1,0,0]=3 7488 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000742357 [0,2,0,0,0,0|1,0,0]=3 7489 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000233755 [0,2,0,0,0,0|1,0,0]=3 7490 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000233755 [0,2,0,0,0,0|1,0,0]=3 7491 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000233755 [0,2,0,0,0,0|1,0,0]=3 7492 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000742357 [0,2,0,0,0,0|1,0,0]=3 7493 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000233755 [0,2,0,0,0,0|1,0,0]=3 7494 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000742357 [0,2,0,0,0,0|1,0,0]=3 7495 B15R1.139 COCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000742357 [0,2,0,0,0,0|2,0,0]=4 7496 B15R1.139 COCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000233755 [0,2,0,0,0,0|2,0,0]=4 7497 B15R1.139 COCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000742357 [0,2,0,0,0,0|2,0,0]=4 7498 B15R1.139 COCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000233755 [0,2,0,0,0,0|2,0,0]=4 7499 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000751147 [0,2,0,0,0,0|1,0,0]=3 7500 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011217047 [0,2,0,0,0,0|1,0,0]=3 7501 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000751147 [0,2,0,0,0,0|1,0,0]=3 7502 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000751147 [0,2,0,0,0,0|1,0,0]=3 7503 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000751147 [0,2,0,0,0,0|1,0,0]=3 7504 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011217047 [0,2,0,0,0,0|1,0,0]=3 7505 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000751147 [0,2,0,0,0,0|1,0,0]=3 7506 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011217047 [0,2,0,0,0,0|1,0,0]=3 7507 B15R1.139 CSCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011217047 [0,2,0,0,0,0|2,0,0]=4 7508 B15R1.139 CSCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000751147 [0,2,0,0,0,0|2,0,0]=4 7509 B15R1.139 CSCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011217047 [0,2,0,0,0,0|2,0,0]=4 7510 B15R1.139 CSCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000751147 [0,2,0,0,0,0|2,0,0]=4 7511 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCC#N 1458a_100000716854_100011215226 [0,2,0,0,0,0|1,0,1]=4 7512 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCF 1458a_100000716854_100011934791 [0,2,0,0,0,0|1,0,0]=3 7513 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCO 1458a_100000716854_100011215043 [0,2,0,0,0,0|1,0,0]=3 7514 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCC#N 1626a_100000734998_100000716854 [0,2,0,0,0,0|1,0,1]=4 7515 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000716854 [0,2,0,0,0,0|1,0,0]=3 7516 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000716854 [0,2,0,0,0,0|1,0,0]=3 7517 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100000716854 [0,2,0,0,0,0|1,0,0]=3 7518 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100000716854 [0,2,0,0,0,0|1,0,0]=3 7519 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215226 [0,2,0,0,0,0|1,0,1]=4 7520 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215226 [0,2,0,0,0,0|1,0,1]=4 7521 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215226 [0,2,0,0,0,0|1,0,1]=4 7522 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215226 [0,2,0,0,0,0|1,0,1]=4 7523 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000734998_100016267368 [0,2,0,0,0,0|1,0,1]=4 7524 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000734998_100000184863 [0,2,0,0,0,0|1,0,1]=4 7525 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000734998_100000182136 [0,2,0,0,0,0|1,0,1]=4 7526 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000734998_100102526154 [0,2,0,0,0,0|1,0,1]=4 7527 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCBr 6a_100000186029_100000685027 [0,2,0,0,0,0|1,0,0]=3 7528 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCCl 6a_100000186029_100011215641 [0,2,0,0,0,0|1,0,0]=3 7529 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCF 1458a_100016267368_100011934791 [0,2,0,0,0,0|1,0,0]=3 7530 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCO 1458a_100016267368_100011215043 [0,2,0,0,0,0|1,0,0]=3 7531 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 11a_100000724931_100016267368 [0,2,0,0,0,0|1,0,0]=3 7532 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 1626a_100000724931_100016267368 [0,2,0,0,0,0|1,0,0]=3 7533 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCF 1458a_100000184863_100011934791 [0,2,0,0,0,0|1,0,0]=3 7534 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCO 1458a_100000184863_100011215043 [0,2,0,0,0,0|1,0,0]=3 7535 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 11a_100000724931_100000184863 [0,2,0,0,0,0|1,0,0]=3 7536 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 1626a_100000724931_100000184863 [0,2,0,0,0,0|1,0,0]=3 7537 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000184863 [0,2,0,0,0,0|1,0,0]=3 7538 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000184863 [0,2,0,0,0,0|1,0,0]=3 7539 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCBr 6a_100000210084_100000685027 [0,2,0,0,0,0|1,0,0]=3 7540 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCCl 6a_100000210084_100011215641 [0,2,0,0,0,0|1,0,0]=3 7541 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCF 1458a_100000182136_100011934791 [0,2,0,0,0,0|1,0,0]=3 7542 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCO 1458a_100000182136_100011215043 [0,2,0,0,0,0|1,0,0]=3 7543 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 11a_100000724931_100000182136 [0,2,0,0,0,0|1,0,0]=3 7544 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 1626a_100000724931_100000182136 [0,2,0,0,0,0|1,0,0]=3 7545 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000182136 [0,2,0,0,0,0|1,0,0]=3 7546 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000182136 [0,2,0,0,0,0|1,0,0]=3 7547 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCBr 6a_100000188517_100000685027 [0,2,0,0,0,0|1,0,0]=3 7548 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCCl 6a_100000188517_100011215641 [0,2,0,0,0,0|1,0,0]=3 7549 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCF 1458a_100102526154_100011934791 [0,2,0,0,0,0|1,0,0]=3 7550 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCO 1458a_100102526154_100011215043 [0,2,0,0,0,0|1,0,0]=3 7551 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 11a_100000724931_100102526154 [0,2,0,0,0,0|1,0,0]=3 7552 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 1626a_100000724931_100102526154 [0,2,0,0,0,0|1,0,0]=3 7553 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 240690a_100000724931_100102526154 [0,2,0,0,0,0|1,0,0]=3 7554 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCO 240690a_100000210304_100102526154 [0,2,0,0,0,0|1,0,0]=3 7555 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCF 240690a_100000724931_100016269017 [0,2,0,0,0,0|1,0,0]=3 7556 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCO 240690a_100000210304_100016269017 [0,2,0,0,0,0|1,0,0]=3 7557 B15R1.139 O=C(C=Cc1ccc(cn1)Br)CCCBr 6a_100000754260_100000685027 [0,2,0,0,0,0|2,0,0]=4 7558 B15R1.139 O=C(C=Cc1ccc(cn1)Br)CCCCl 6a_100000754260_100011215641 [0,2,0,0,0,0|2,0,0]=4 7559 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCBr 6a_100011934744_100000685027 [0,2,0,0,0,0|2,0,0]=4 7560 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCCl 6a_100011934744_100011215641 [0,2,0,0,0,0|2,0,0]=4 7561 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCF 1458a_100020630499_100011934791 [0,2,0,0,0,0|2,0,0]=4 7562 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCO 1458a_100020630499_100011215043 [0,2,0,0,0,0|2,0,0]=4 7563 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCF 11a_100000724931_100020630499 [0,2,0,0,0,0|2,0,0]=4 7564 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCF 1626a_100000724931_100020630499 [0,2,0,0,0,0|2,0,0]=4 7565 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCF 240690a_100000724931_100020630499 [0,2,0,0,0,0|2,0,0]=4 7566 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCO 240690a_100000210304_100020630499 [0,2,0,0,0,0|2,0,0]=4 7567 B15R1.139 O=C(C=Cc1ccc(nc1)Br)CCCF 1458a_100020588214_100011934791 [0,2,0,0,0,0|2,0,0]=4 7568 B15R1.139 O=C(C=Cc1ccc(nc1)Br)CCCO 1458a_100020588214_100011215043 [0,2,0,0,0,0|2,0,0]=4 7569 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCF 11a_100000724931_100020588214 [0,2,0,0,0,0|2,0,0]=4 7570 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCF 1626a_100000724931_100020588214 [0,2,0,0,0,0|2,0,0]=4 7571 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCF 240690a_100000724931_100020588214 [0,2,0,0,0,0|2,0,0]=4 7572 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCO 240690a_100000210304_100020588214 [0,2,0,0,0,0|2,0,0]=4 7573 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccc1 11a_100000707721_100000210462 [0,2,0,0,0,0|1,0,0]=3 7574 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccc1 1626a_100000707721_100000210462 [0,2,0,0,0,0|1,0,0]=3 7575 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccn1 11a_100000707721_100000740811 [0,2,0,0,0,0|2,0,0]=4 7576 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccn1 240690a_100000707721_100000740811 [0,2,0,0,0,0|2,0,0]=4 7577 B15R1.741 C#CC(C)NC(=O)C=Cc1cccnc1 11a_100000707721_100000735890 [0,2,0,0,0,0|2,0,0]=4 7578 B15R1.741 C#CC(C)NC(=O)C=Cc1cccnc1 240690a_100000707721_100000735890 [0,2,0,0,0,0|2,0,0]=4 7579 B15R1.741 C#CC(C)NC(=O)C=Cc1ccncc1 240690a_100000707721_100000682801 [0,2,0,0,0,0|2,0,0]=4 7580 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccc1 11a_100000737613_100000210462 [0,2,0,0,0,0|1,0,0]=3 7581 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccc1 1626a_100000737613_100000210462 [0,2,0,0,0,0|1,0,0]=3 7582 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccn1 11a_100000737613_100000740811 [0,2,0,0,0,0|2,0,0]=4 7583 B15R1.741 CC(C#N)NC(=O)C=Cc1cccnc1 11a_100000737613_100000735890 [0,2,0,0,0,0|2,0,0]=4 7584 B15R1.741 CC(OC(=O)OCc1ccccc1)S[13CH3] 62a_200015597219_200025704644 [0,2,0,0,0,0|1,0,1]=4 7585 B15R1.741 CC(OC(=O)OCc1ccccc1)S[13CH3] 62a_200025704644_200015597219 [0,2,0,0,0,0|1,0,1]=4 7586 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747405 [0,2,0,0,0,0|1,0,0]=3 7587 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000747405 [0,2,0,0,0,0|2,0,0]=4 7588 B15R1.741 CCC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000747405 [0,2,0,0,0,0|2,0,0]=4 7589 B15R1.741 CCC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000747405 [0,2,0,0,0,0|2,0,0]=4 7590 B15R1.741 CCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748023 [0,2,0,0,0,0|1,0,0]=3 7591 B15R1.741 CCC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748023 [0,2,0,0,0,0|2,0,0]=4 7592 B15R1.741 CCC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748023 [0,2,0,0,0,0|2,0,0]=4 7593 B15R1.741 CCC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748023 [0,2,0,0,0,0|2,0,0]=4 7594 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 11a_100000209981_100000210462 [0,2,0,0,0,0|1,0,0]=3 7595 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 1626a_100000209981_100000210462 [0,2,0,0,0,0|1,0,0]=3 7596 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 11a_100000209981_100000740811 [0,2,0,0,0,0|2,0,0]=4 7597 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 240690a_100000209981_100000740811 [0,2,0,0,0,0|2,0,0]=4 7598 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 11a_100000209981_100000735890 [0,2,0,0,0,0|2,0,0]=4 7599 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 240690a_100000209981_100000735890 [0,2,0,0,0,0|2,0,0]=4 7600 B15R1.741 CCC(C)NC(=O)C=Cc1ccncc1 240690a_100000209981_100000682801 [0,2,0,0,0,0|2,0,0]=4 7601 B15R1.741 CCC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218378 [0,2,0,0,0,0|1,0,0]=3 7602 B15R1.741 CCC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218378 [0,2,0,0,0,0|2,0,0]=4 7603 B15R1.741 CCC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218378 [0,2,0,0,0,0|2,0,0]=4 7604 B15R1.741 CCC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218378 [0,2,0,0,0,0|2,0,0]=4 7605 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009816398 [0,2,0,0,0,0|1,0,0]=3 7606 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100009816398 [0,2,0,0,0,0|2,0,0]=4 7607 B15R1.741 CC[C@H](C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100009816398 [0,2,0,0,0,0|2,0,0]=4 7608 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100009816398 [0,2,0,0,0,0|2,0,0]=4 7609 B15R1.741 CNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183359 [0,2,0,0,0,0|1,0,1]=4 7610 B15R1.741 COC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747449 [0,2,0,0,0,0|1,0,1]=4 7611 B15R1.741 CSC(C)OC(=O)OCc1ccccc1 62a_200000210301_200015597219 [0,2,0,0,0,0|1,0,1]=4 7612 B15R1.741 CSC(C)OC(=O)OCc1ccccc1 62a_200015597219_200000210301 [0,2,0,0,0,0|1,0,1]=4 7613 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000059175 [0,2,0,0,0,0|1,0,0]=3 7614 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000059175 [0,2,0,0,0,0|2,0,0]=4 7615 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000059175 [0,2,0,0,0,0|2,0,0]=4 7616 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000059175 [0,2,0,0,0,0|2,0,0]=4 7617 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 11a_100102880703_100000210462 [0,2,0,0,0,0|1,0,0]=3 7618 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 1626a_100102880703_100000210462 [0,2,0,0,0,0|1,0,0]=3 7619 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccn1 11a_100102880703_100000740811 [0,2,0,0,0,0|2,0,0]=4 7620 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccn1 240690a_100102880703_100000740811 [0,2,0,0,0,0|2,0,0]=4 7621 B15R1.741 C[C@H](CF)NC(=O)C=Cc1cccnc1 11a_100102880703_100000735890 [0,2,0,0,0,0|2,0,0]=4 7622 B15R1.741 C[C@H](CF)NC(=O)C=Cc1cccnc1 240690a_100102880703_100000735890 [0,2,0,0,0,0|2,0,0]=4 7623 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccncc1 240690a_100102880703_100000682801 [0,2,0,0,0,0|2,0,0]=4 7624 B15R1.741 C[C@H](CO)NC(=O)C=Cc1ccccn1 240690a_100000737577_100000740811 [0,2,0,0,0,0|2,0,0]=4 7625 B15R1.741 C[C@H](CO)NC(=O)C=Cc1cccnc1 240690a_100000737577_100000735890 [0,2,0,0,0,0|2,0,0]=4 7626 B15R1.741 C[C@H](CO)NC(=O)C=Cc1ccncc1 240690a_100000737577_100000682801 [0,2,0,0,0,0|2,0,0]=4 7627 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000753159 [0,2,0,0,0,0|1,0,1]=4 7628 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000753159 [0,2,0,0,0,0|1,0,1]=4 7629 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000753159 [0,2,0,0,0,0|1,0,1]=4 7630 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000753159 [0,2,0,0,0,0|1,0,1]=4 7631 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 11a_100000212058_100000719032 [0,2,0,0,0,0|1,0,1]=4 7632 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 1626a_100000212058_100000719032 [0,2,0,0,0,0|1,0,1]=4 7633 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 240690a_100000212058_100000719032 [0,2,0,0,0,0|1,0,1]=4 7634 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1C 1626a_100000212058_100016266485 [0,2,0,0,0,0|1,0,1]=4 7635 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 11a_100000212058_100000720304 [0,2,0,0,0,0|1,0,1]=4 7636 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000212058_100000720304 [0,2,0,0,0,0|1,0,1]=4 7637 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 240690a_100000212058_100000720304 [0,2,0,0,0,0|1,0,1]=4 7638 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 11a_100000212058_100016256065 [0,2,0,0,0,0|1,0,1]=4 7639 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 1626a_100000212058_100016256065 [0,2,0,0,0,0|1,0,1]=4 7640 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 240690a_100000212058_100016256065 [0,2,0,0,0,0|1,0,1]=4 7641 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100102629194 [0,2,0,0,0,0|1,0,1]=4 7642 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100102629194 [0,2,0,0,0,0|1,0,1]=4 7643 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1F 1458a_100016256065_100102629194 [0,2,0,0,0,0|1,0,1]=4 7644 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1O 1458a_100016263591_100102629194 [0,2,0,0,0,0|1,0,1]=4 7645 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000754431 [0,2,0,0,0,0|1,0,1]=4 7646 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000754431 [0,2,0,0,0,0|1,0,1]=4 7647 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000754431 [0,2,0,0,0,0|1,0,1]=4 7648 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000754431 [0,2,0,0,0,0|1,0,1]=4 7649 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br 1626a_100020586998_100000719032 [0,2,0,0,0,0|1,0,1]=4 7650 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br 240690a_100020586998_100000719032 [0,2,0,0,0,0|1,0,1]=4 7651 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1C 1626a_100020586998_100016266485 [0,2,0,0,0,0|1,0,1]=4 7652 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Cl 1626a_100020586998_100000720304 [0,2,0,0,0,0|1,0,1]=4 7653 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Cl 240690a_100020586998_100000720304 [0,2,0,0,0,0|1,0,1]=4 7654 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F 1626a_100020586998_100016256065 [0,2,0,0,0,0|1,0,1]=4 7655 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F 240690a_100020586998_100016256065 [0,2,0,0,0,0|1,0,1]=4 7656 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000748600 [0,2,0,0,0,0|1,0,1]=4 7657 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000748600 [0,2,0,0,0,0|1,0,1]=4 7658 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000748600 [0,2,0,0,0,0|1,0,1]=4 7659 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000748600 [0,2,0,0,0,0|1,0,1]=4 7660 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000070051 [0,2,0,0,0,0|1,0,1]=4 7661 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000070051 [0,2,0,0,0,0|1,0,1]=4 7662 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000070051 [0,2,0,0,0,0|1,0,1]=4 7663 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000070051 [0,2,0,0,0,0|1,0,1]=4 7664 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210211 [0,2,0,0,0,0|1,0,0]=3 7665 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210211 [0,2,0,0,0,0|1,0,0]=3 7666 B15R1.1208 CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210211 [0,2,0,0,0,0|1,0,0]=3 7667 B15R1.1208 CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210211 [0,2,0,0,0,0|1,0,0]=3 7668 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 11a_100020643023_100000719032 [0,2,0,0,0,0|1,0,0]=3 7669 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 1626a_100020643023_100000719032 [0,2,0,0,0,0|1,0,0]=3 7670 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 240690a_100020643023_100000719032 [0,2,0,0,0,0|1,0,0]=3 7671 B15R1.1208 CCCNC(=O)C=Cc1ccccc1C 1626a_100020643023_100016266485 [0,2,0,0,0,0|1,0,0]=3 7672 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 11a_100020643023_100000720304 [0,2,0,0,0,0|1,0,0]=3 7673 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 1626a_100020643023_100000720304 [0,2,0,0,0,0|1,0,0]=3 7674 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 240690a_100020643023_100000720304 [0,2,0,0,0,0|1,0,0]=3 7675 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 11a_100020643023_100016256065 [0,2,0,0,0,0|1,0,0]=3 7676 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 1626a_100020643023_100016256065 [0,2,0,0,0,0|1,0,0]=3 7677 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 240690a_100020643023_100016256065 [0,2,0,0,0,0|1,0,0]=3 7678 B15R1.1208 CCCOC(=O)CNc1ccccc1Br 34a_100000210017_200011215008 [0,2,0,0,0,0|1,0,1]=4 7679 B15R1.1208 CCCOC(=O)CNc1ccccc1C 34a_100015192222_200011215008 [0,2,0,0,0,0|1,0,1]=4 7680 B15R1.1208 CCCOC(=O)CNc1ccccc1Cl 34a_100000185783_200011215008 [0,2,0,0,0,0|1,0,1]=4 7681 B15R1.1208 CCCOC(=O)CNc1ccccc1F 34a_100000210422_200011215008 [0,2,0,0,0,0|1,0,1]=4 7682 B15R1.1208 CCCOC(=O)CNc1ccccc1I 34a_100000210053_200011215008 [0,2,0,0,0,0|1,0,1]=4 7683 B15R1.1208 CCCOC(=O)CNc1ccccc1O 34a_100000185747_200011215008 [0,2,0,0,0,0|1,0,1]=4 7684 B15R1.1208 CCCOC(=O)COc1ccccc1Br 34a_100000181306_200011215008 [0,2,0,0,0,0|1,0,1]=4 7685 B15R1.1208 CCCOC(=O)COc1ccccc1Br 7a_100000181306_200011215008 [0,2,0,0,0,0|1,0,1]=4 7686 B15R1.1208 CCCOC(=O)COc1ccccc1C 34a_100000210338_200011215008 [0,2,0,0,0,0|1,0,1]=4 7687 B15R1.1208 CCCOC(=O)COc1ccccc1C 7a_100000210338_200011215008 [0,2,0,0,0,0|1,0,1]=4 7688 B15R1.1208 CCCOC(=O)COc1ccccc1Cl 34a_100000210172_200011215008 [0,2,0,0,0,0|1,0,1]=4 7689 B15R1.1208 CCCOC(=O)COc1ccccc1Cl 7a_100000210172_200011215008 [0,2,0,0,0,0|1,0,1]=4 7690 B15R1.1208 CCCOC(=O)COc1ccccc1F 34a_100000210171_200011215008 [0,2,0,0,0,0|1,0,1]=4 7691 B15R1.1208 CCCOC(=O)COc1ccccc1F 7a_100000210171_200011215008 [0,2,0,0,0,0|1,0,1]=4 7692 B15R1.1208 CCCOC(=O)COc1ccccc1I 34a_100000739446_200011215008 [0,2,0,0,0,0|1,0,1]=4 7693 B15R1.1208 CCCOC(=O)COc1ccccc1I 7a_100000739446_200011215008 [0,2,0,0,0,0|1,0,1]=4 7694 B15R1.1208 CCCOC(=O)COc1ccccc1N 34a_100000185747_200011215008 [0,2,0,0,0,0|1,0,1]=4 7695 B15R1.1208 CCCOC(=O)COc1ccccc1N 7a_100000185747_200011215008 [0,2,0,0,0,0|1,0,1]=4 7696 B15R1.1208 CCCOC(=O)CSc1ccccc1Br 62a_100000695589_200011215008 [0,2,0,0,0,0|1,0,1]=4 7697 B15R1.1208 CCCOC(=O)CSc1ccccc1Br 62a_200011215008_100000695589 [0,2,0,0,0,0|1,0,1]=4 7698 B15R1.1208 CCCOC(=O)CSc1ccccc1C 62a_100000210755_200011215008 [0,2,0,0,0,0|1,0,1]=4 7699 B15R1.1208 CCCOC(=O)CSc1ccccc1C 62a_200011215008_100000210755 [0,2,0,0,0,0|1,0,1]=4 7700 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl 62a_100000764095_200011215008 [0,2,0,0,0,0|1,0,1]=4 7701 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl 62a_200011215008_100000764095 [0,2,0,0,0,0|1,0,1]=4 7702 B15R1.1208 CCCOC(=O)CSc1ccccc1F 62a_100011215700_200011215008 [0,2,0,0,0,0|1,0,1]=4 7703 B15R1.1208 CCCOC(=O)CSc1ccccc1F 62a_200011215008_100011215700 [0,2,0,0,0,0|1,0,1]=4 7704 B15R1.1208 CCCOC(=O)CSc1ccccc1N 62a_100000210017_200011215008 [0,2,0,0,0,0|1,0,1]=4 7705 B15R1.1208 CCCOC(=O)CSc1ccccc1N 62a_200011215008_100000210017 [0,2,0,0,0,0|1,0,1]=4 7706 B15R1.1208 CCCOC(=O)CSc1ccccc1O 62a_100000739446_200011215008 [0,2,0,0,0,0|1,0,1]=4 7707 B15R1.1208 CCCOC(=O)CSc1ccccc1O 62a_200011215008_100000739446 [0,2,0,0,0,0|1,0,1]=4 7708 B15R1.1208 CCNN=C(C)C=Cc1ccccc1Cl 4a_100000756455_200016284137 [0,2,0,0,0,0|2,0,0]=4 7709 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Br 22a_100000756455_100000719032 [0,2,0,0,0,0|1,0,0]=3 7710 B15R1.1208 CCNNC(=O)C=Cc1ccccc1C 22a_100000756455_100016266485 [0,2,0,0,0,0|1,0,0]=3 7711 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Cl 22a_100000756455_100000720304 [0,2,0,0,0,0|1,0,0]=3 7712 B15R1.1208 CCNNC(=O)C=Cc1ccccc1F 22a_100000756455_100016256065 [0,2,0,0,0,0|1,0,0]=3 7713 B15R1.1208 CCNNC(=O)C=Cc1ccccc1O 22a_100000756455_100016263591 [0,2,0,0,0,0|1,0,0]=3 7714 B15R1.1208 CCOCC(=O)CCc1ccccc1Br 1458a_100000211967_100012161201 [0,2,0,0,0,0|0,0,2]=4 7715 B15R1.1208 CCOCC(=O)CCc1ccccc1C 1458a_100000211967_100011713688 [0,2,0,0,0,0|0,0,2]=4 7716 B15R1.1208 CCOCC(=O)CCc1ccccc1Cl 1458a_100000211967_100011713703 [0,2,0,0,0,0|0,0,2]=4 7717 B15R1.1208 CCOCC(=O)CCc1ccccc1F 1458a_100000211967_100000720011 [0,2,0,0,0,0|0,0,2]=4 7718 B15R1.1208 CCOCC(=O)CCc1ccccc1O 1458a_100000211967_100000722297 [0,2,0,0,0,0|0,0,2]=4 7719 B15R1.1208 CCOCC(=O)NCc1ccccc1Br 11a_100000689332_100000211967 [0,2,0,0,0,0|1,0,1]=4 7720 B15R1.1208 CCOCC(=O)NCc1ccccc1Br 1626a_100000689332_100000211967 [0,2,0,0,0,0|1,0,1]=4 7721 B15R1.1208 CCOCC(=O)NCc1ccccc1Br 240690a_100000689332_100000211967 [0,2,0,0,0,0|1,0,1]=4 7722 B15R1.1208 CCOCC(=O)NCc1ccccc1Br 527a_100000689332_100000211967 [0,2,0,0,0,0|1,0,1]=4 7723 B15R1.1208 CCOCC(=O)NCc1ccccc1C 11a_100000174972_100000211967 [0,2,0,0,0,0|1,0,1]=4 7724 B15R1.1208 CCOCC(=O)NCc1ccccc1C 1626a_100000174972_100000211967 [0,2,0,0,0,0|1,0,1]=4 7725 B15R1.1208 CCOCC(=O)NCc1ccccc1C 240690a_100000174972_100000211967 [0,2,0,0,0,0|1,0,1]=4 7726 B15R1.1208 CCOCC(=O)NCc1ccccc1C 34a_100121572206_100000230231 [0,2,0,0,0,0|1,0,1]=4 7727 B15R1.1208 CCOCC(=O)NCc1ccccc1C 527a_100000174972_100000211967 [0,2,0,0,0,0|1,0,1]=4 7728 B15R1.1208 CCOCC(=O)NCc1ccccc1Cl 11a_100000174879_100000211967 [0,2,0,0,0,0|1,0,1]=4 7729 B15R1.1208 CCOCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000211967 [0,2,0,0,0,0|1,0,1]=4 7730 B15R1.1208 CCOCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000211967 [0,2,0,0,0,0|1,0,1]=4 7731 B15R1.1208 CCOCC(=O)NCc1ccccc1Cl 527a_100000174879_100000211967 [0,2,0,0,0,0|1,0,1]=4 7732 B15R1.1208 CCOCC(=O)NCc1ccccc1F 11a_100000174869_100000211967 [0,2,0,0,0,0|1,0,1]=4 7733 B15R1.1208 CCOCC(=O)NCc1ccccc1F 1626a_100000174869_100000211967 [0,2,0,0,0,0|1,0,1]=4 7734 B15R1.1208 CCOCC(=O)NCc1ccccc1F 240690a_100000174869_100000211967 [0,2,0,0,0,0|1,0,1]=4 7735 B15R1.1208 CCOCC(=O)NCc1ccccc1F 34a_100121572206_100000190583 [0,2,0,0,0,0|1,0,1]=4 7736 B15R1.1208 CCOCC(=O)NCc1ccccc1F 527a_100000174869_100000211967 [0,2,0,0,0,0|1,0,1]=4 7737 B15R1.1208 CCOCC(=O)NCc1ccccc1I 11a_100015347259_100000211967 [0,2,0,0,0,0|1,0,1]=4 7738 B15R1.1208 CCOCC(=O)NCc1ccccc1I 1626a_100015347259_100000211967 [0,2,0,0,0,0|1,0,1]=4 7739 B15R1.1208 CCOCC(=O)NCc1ccccc1I 240690a_100015347259_100000211967 [0,2,0,0,0,0|1,0,1]=4 7740 B15R1.1208 CCOCC(=O)NCc1ccccc1I 527a_100015347259_100000211967 [0,2,0,0,0,0|1,0,1]=4 7741 B15R1.1208 CCOCC(=O)NCc1ccccc1O 240690a_100000185550_100000211967 [0,2,0,0,0,0|1,0,1]=4 7742 B15R1.1208 CCOCC(=O)NCc1ccccc1O 527a_100000185550_100000211967 [0,2,0,0,0,0|1,0,1]=4 7743 B15R1.1208 CCOCC(=O)NNc1ccccc1Br 22a_100000241748_100000211967 [0,2,0,0,0,0|2,0,0]=4 7744 B15R1.1208 CCOCC(=O)NNc1ccccc1C 22a_100000184220_100000211967 [0,2,0,0,0,0|2,0,0]=4 7745 B15R1.1208 CCOCC(=O)NNc1ccccc1Cl 22a_100000683529_100000211967 [0,2,0,0,0,0|2,0,0]=4 7746 B15R1.1208 CCOCC(=O)NNc1ccccc1F 22a_100000239246_100000211967 [0,2,0,0,0,0|2,0,0]=4 7747 B15R1.1208 CCOCC(=O)NNc1ccccc1I 22a_100011218156_100000211967 [0,2,0,0,0,0|2,0,0]=4 7748 B15R1.1208 COCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000233755 [0,2,0,0,0,0|1,0,0]=3 7749 B15R1.1208 COCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000233755 [0,2,0,0,0,0|1,0,0]=3 7750 B15R1.1208 COCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000233755 [0,2,0,0,0,0|1,0,0]=3 7751 B15R1.1208 COCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000233755 [0,2,0,0,0,0|1,0,0]=3 7752 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000751147 [0,2,0,0,0,0|1,0,0]=3 7753 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000751147 [0,2,0,0,0,0|1,0,0]=3 7754 B15R1.1208 CSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000751147 [0,2,0,0,0,0|1,0,0]=3 7755 B15R1.1208 CSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000751147 [0,2,0,0,0,0|1,0,0]=3 7756 B15R1.1208 Cc1ccccc1C=CC(=O)NCC#N 1626a_100000734998_100016266485 [0,2,0,0,0,0|1,0,1]=4 7757 B15R1.1208 Cc1ccccc1C=CC(=O)NCCF 1626a_100000724931_100016266485 [0,2,0,0,0,0|1,0,0]=3 7758 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215226 [0,2,0,0,0,0|1,0,1]=4 7759 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215226 [0,2,0,0,0,0|1,0,1]=4 7760 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215226 [0,2,0,0,0,0|1,0,1]=4 7761 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215226 [0,2,0,0,0,0|1,0,1]=4 7762 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Br 1626a_100000734998_100000719032 [0,2,0,0,0,0|1,0,1]=4 7763 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000734998_100000720304 [0,2,0,0,0,0|1,0,1]=4 7764 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1F 1626a_100000734998_100016256065 [0,2,0,0,0,0|1,0,1]=4 7765 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCF 1458a_100000719032_100011934791 [0,2,0,0,0,0|1,0,0]=3 7766 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCO 1458a_100000719032_100011215043 [0,2,0,0,0,0|1,0,0]=3 7767 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 11a_100000724931_100000719032 [0,2,0,0,0,0|1,0,0]=3 7768 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 1626a_100000724931_100000719032 [0,2,0,0,0,0|1,0,0]=3 7769 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 240690a_100000724931_100000719032 [0,2,0,0,0,0|1,0,0]=3 7770 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCO 240690a_100000210304_100000719032 [0,2,0,0,0,0|1,0,0]=3 7771 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCF 1458a_100000720304_100011934791 [0,2,0,0,0,0|1,0,0]=3 7772 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCO 1458a_100000720304_100011215043 [0,2,0,0,0,0|1,0,0]=3 7773 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 11a_100000724931_100000720304 [0,2,0,0,0,0|1,0,0]=3 7774 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 1626a_100000724931_100000720304 [0,2,0,0,0,0|1,0,0]=3 7775 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 240690a_100000724931_100000720304 [0,2,0,0,0,0|1,0,0]=3 7776 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCO 240690a_100000210304_100000720304 [0,2,0,0,0,0|1,0,0]=3 7777 B15R1.1208 O=C(C=Cc1ccccc1F)CCCF 1458a_100016256065_100011934791 [0,2,0,0,0,0|1,0,0]=3 7778 B15R1.1208 O=C(C=Cc1ccccc1F)CCCO 1458a_100016256065_100011215043 [0,2,0,0,0,0|1,0,0]=3 7779 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 11a_100000724931_100016256065 [0,2,0,0,0,0|1,0,0]=3 7780 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 1626a_100000724931_100016256065 [0,2,0,0,0,0|1,0,0]=3 7781 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 240690a_100000724931_100016256065 [0,2,0,0,0,0|1,0,0]=3 7782 B15R1.1208 O=C(C=Cc1ccccc1F)NCCO 240690a_100000210304_100016256065 [0,2,0,0,0,0|1,0,0]=3 7783 B15R1.1208 O=C(C=Cc1ccccc1O)CCCF 1458a_100016263591_100011934791 [0,2,0,0,0,0|1,0,0]=3 7784 B15R1.1208 O=C(C=Cc1ccccc1O)CCCO 1458a_100016263591_100011215043 [0,2,0,0,0,0|1,0,0]=3 7785 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730704 [0,2,0,0,0,0|1,0,0]=3 7786 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730704 [0,2,0,0,0,0|2,0,0]=4 7787 B15R1.5919 C=C(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730704 [0,2,0,0,0,0|2,0,0]=4 7788 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730704 [0,2,0,0,0,0|2,0,0]=4 7789 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 11a_100000765925_100000210462 [0,2,0,0,0,0|1,0,0]=3 7790 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 1626a_100000765925_100000210462 [0,2,0,0,0,0|1,0,0]=3 7791 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 11a_100000765925_100000740811 [0,2,0,0,0,0|2,0,0]=4 7792 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 240690a_100000765925_100000740811 [0,2,0,0,0,0|2,0,0]=4 7793 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 11a_100000765925_100000735890 [0,2,0,0,0,0|2,0,0]=4 7794 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 240690a_100000765925_100000735890 [0,2,0,0,0,0|2,0,0]=4 7795 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccncc1 240690a_100000765925_100000682801 [0,2,0,0,0,0|2,0,0]=4 7796 B15R1.5919 CC(=CCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100000761012 [0,2,0,0,0,0|1,0,1]=4 7797 B15R1.5919 CC(=NNC(C)C)C=Cc1ccccc1 4a_100000741168_100000204604 [0,2,0,0,0,0|2,0,0]=4 7798 B15R1.5919 CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200000210301 [0,2,0,0,0,0|1,0,0]=3 7799 B15R1.5919 CC(=O)NNC(=O)C=Cc1ccccc1 22a_100000189765_100000210462 [0,2,0,0,0,0|1,0,1]=4 7800 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [0,2,0,0,0,0|1,0,0]=3 7801 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210312 [0,2,0,0,0,0|2,0,0]=4 7802 B15R1.5919 CC(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210312 [0,2,0,0,0,0|2,0,0]=4 7803 B15R1.5919 CC(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210312 [0,2,0,0,0,0|2,0,0]=4 7804 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 11a_100000210953_100000210462 [0,2,0,0,0,0|1,0,0]=3 7805 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 1626a_100000210953_100000210462 [0,2,0,0,0,0|1,0,0]=3 7806 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 11a_100000210953_100000740811 [0,2,0,0,0,0|2,0,0]=4 7807 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 240690a_100000210953_100000740811 [0,2,0,0,0,0|2,0,0]=4 7808 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 11a_100000210953_100000735890 [0,2,0,0,0,0|2,0,0]=4 7809 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 240690a_100000210953_100000735890 [0,2,0,0,0,0|2,0,0]=4 7810 B15R1.5919 CC(C)CNC(=O)C=Cc1ccncc1 240690a_100000210953_100000682801 [0,2,0,0,0,0|2,0,0]=4 7811 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccc1 22a_100000741168_100000210462 [0,2,0,0,0,0|1,0,0]=3 7812 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccn1 22a_100000741168_100000740811 [0,2,0,0,0,0|2,0,0]=4 7813 B15R1.5919 CC(C)NNC(=O)C=Cc1cccnc1 22a_100000741168_100000735890 [0,2,0,0,0,0|2,0,0]=4 7814 B15R1.5919 CC(C)NNC(=O)C=Cc1ccncc1 22a_100000741168_100000682801 [0,2,0,0,0,0|2,0,0]=4 7815 B15R1.5919 CC(C)OCC(=O)CCc1ccccc1 1458a_100000745533_100000765856 [0,2,0,0,0,0|0,0,2]=4 7816 B15R1.5919 CC(C)OCC(=O)CCc1ccccc1 34a_100000212225_100012361361 [0,2,0,0,0,0|0,0,2]=4 7817 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 11a_100015324214_100000745533 [0,2,0,0,0,0|1,0,1]=4 7818 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 1626a_100015324214_100000745533 [0,2,0,0,0,0|1,0,1]=4 7819 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 240690a_100015324214_100000745533 [0,2,0,0,0,0|1,0,1]=4 7820 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 34a_100000212225_100000183539 [0,2,0,0,0,0|1,0,1]=4 7821 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 527a_100015324214_100000745533 [0,2,0,0,0,0|1,0,1]=4 7822 B15R1.5919 CC(C)OCC(=O)NNc1ccccc1 22a_100015195140_100000745533 [0,2,0,0,0,0|2,0,0]=4 7823 B15R1.5919 CC(C)OCC(=O)OCc1ccccc1 34a_100000212225_100000753625 [0,2,0,0,0,0|1,0,1]=4 7824 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100012276601 [0,2,0,0,0,0|1,0,0]=3 7825 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100012276601 [0,2,0,0,0,0|2,0,0]=4 7826 B15R1.5919 CC(O)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100012276601 [0,2,0,0,0,0|2,0,0]=4 7827 B15R1.5919 CC(O)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100012276601 [0,2,0,0,0,0|2,0,0]=4 7828 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccc1 11a_100000210904_100000210462 [0,2,0,0,0,0|1,0,0]=3 7829 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 11a_100000210904_100000740811 [0,2,0,0,0,0|2,0,0]=4 7830 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 240690a_100000210904_100000740811 [0,2,0,0,0,0|2,0,0]=4 7831 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 11a_100000210904_100000735890 [0,2,0,0,0,0|2,0,0]=4 7832 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 240690a_100000210904_100000735890 [0,2,0,0,0,0|2,0,0]=4 7833 B15R1.5919 CC(O)CNC(=O)C=Cc1ccncc1 240690a_100000210904_100000682801 [0,2,0,0,0,0|2,0,0]=4 7834 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccc1 11a_100000711301_100000210462 [0,2,0,0,0,0|1,0,1]=4 7835 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 11a_100000765723_100000210462 [0,2,0,0,0,0|1,0,0]=3 7836 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 1626a_100000765723_100000210462 [0,2,0,0,0,0|1,0,0]=3 7837 B15R1.5919 O=C(C=Cc1ccccn1)NCC(F)F 11a_100000765723_100000740811 [0,2,0,0,0,0|2,0,0]=4 7838 B15R1.5919 O=C(C=Cc1ccccn1)NCC(F)F 240690a_100000765723_100000740811 [0,2,0,0,0,0|2,0,0]=4 7839 B15R1.5919 O=C(C=Cc1cccnc1)NCC(F)F 11a_100000765723_100000735890 [0,2,0,0,0,0|2,0,0]=4 7840 B15R1.5919 O=C(C=Cc1cccnc1)NCC(F)F 240690a_100000765723_100000735890 [0,2,0,0,0,0|2,0,0]=4 7841 B15R1.5919 O=C(C=Cc1ccncc1)NCC(F)F 240690a_100000765723_100000682801 [0,2,0,0,0,0|2,0,0]=4 7842 B15R1.5919 [13CH3]C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200025704644 [0,2,0,0,0,0|1,0,0]=3 7843 B15R1.5934 CCCNS(=O)(=O)C=Cc1ccccc1 40a_100020643023_100011098038 [0,2,0,0,0,0|2,0,0]=4 7844 B15R1.5934 CCNNS(=O)(=O)C=Cc1ccccc1 40a_100000756455_100011098038 [0,2,0,0,0,0|2,0,0]=4 7845 B15R1.5934 O=S(=O)(C=Cc1ccccc1)NCCF 40a_100000724931_100011098038 [0,2,0,0,0,0|2,0,0]=4 7846 B15R1.5934 O=S(=O)(C=Cc1ccccc1)NCCO 40a_100000210304_100011098038 [0,2,0,0,0,0|2,0,0]=4 7847 B15R1.791 CCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210303 [0,2,0,0,0,0|1,0,0]=3 7848 B15R1.791 CCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100011215381 [0,2,0,0,0,0|1,0,0]=3 7849 B15R1.791 CCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210303 [0,2,0,0,0,0|1,0,0]=3 7850 B15R1.791 CCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210303 [0,2,0,0,0,0|1,0,0]=3 7851 B15R1.791 CCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210303 [0,2,0,0,0,0|1,0,0]=3 7852 B15R1.791 CCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100011215381 [0,2,0,0,0,0|1,0,0]=3 7853 B15R1.791 CCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210303 [0,2,0,0,0,0|1,0,0]=3 7854 B15R1.791 CCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100011215381 [0,2,0,0,0,0|1,0,0]=3 7855 B15R1.791 CCCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100011215381 [0,2,0,0,0,0|1,0,0]=3 7856 B15R1.791 CCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210303 [0,2,0,0,0,0|1,0,0]=3 7857 B15R1.791 CCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210303 [0,2,0,0,0,0|1,0,0]=3 7858 B15R1.791 CCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100011215381 [0,2,0,0,0,0|1,0,0]=3 7859 B15R1.791 CCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100011215381 [0,2,0,0,0,0|1,0,0]=3 7860 B15R1.791 CCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100011215381 [0,2,0,0,0,0|1,0,0]=3 7861 B15R1.791 CCCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100011215381 [0,2,0,0,0,0|1,0,0]=3 7862 B15R1.791 CCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100011215381 [0,2,0,0,0,0|1,0,0]=3 7863 B15R1.791 CCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100011215381 [0,2,0,0,0,0|1,0,0]=3 7864 B15R1.791 CCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100011215381 [0,2,0,0,0,0|1,0,0]=3 7865 B15R1.791 CCCC(=O)C=Cc1ncc(cc1Br)Br 6a_100000688198_100011215381 [0,2,0,0,0,0|2,0,0]=4 7866 B15R1.791 CCCC(=O)C=Cc1ncc(cc1Br)Cl 6a_100010064872_100011215381 [0,2,0,0,0,0|2,0,0]=4 7867 B15R1.791 CCCC(=O)C=Cc1ncc(cc1C)Br 6a_100010185443_100011215381 [0,2,0,0,0,0|2,0,0]=4 7868 B15R1.791 CCCC(=O)C=Cc1ncc(cc1C)Cl 6a_200009887756_100011215381 [0,2,0,0,0,0|2,0,0]=4 7869 B15R1.791 CCCC(=O)C=Cc1ncc(cc1Cl)Br 6a_100009814801_100011215381 [0,2,0,0,0,0|2,0,0]=4 7870 B15R1.791 CCCC(=O)C=Cc1ncc(cc1Cl)Cl 6a_100011361609_100011215381 [0,2,0,0,0,0|2,0,0]=4 7871 B15R1.791 CCCC(=O)C=Cc1ncc(cc1F)Br 6a_100010180630_100011215381 [0,2,0,0,0,0|2,0,0]=4 7872 B15R1.791 CCCC(=O)C=Cc1ncc(cc1F)C 6a_100009845184_100011215381 [0,2,0,0,0,0|2,0,0]=4 7873 B15R1.791 CCCC(=O)C=Cc1ncc(cc1F)Cl 6a_100009858488_100011215381 [0,2,0,0,0,0|2,0,0]=4 7874 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Br)F 11a_100015525214_200102591336 [0,2,0,0,0,0|1,0,0]=3 7875 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100015525214_200102591336 [0,2,0,0,0,0|1,0,0]=3 7876 B15R1.791 CCNC(=O)C=Cc1ccc(cc1C)C 11a_100015525214_100000238256 [0,2,0,0,0,0|1,0,0]=3 7877 B15R1.791 CCNC(=O)C=Cc1ccc(cc1C)F 11a_100015525214_100016280397 [0,2,0,0,0,0|1,0,0]=3 7878 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100015525214_100102525105 [0,2,0,0,0,0|1,0,0]=3 7879 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100015525214_100102525105 [0,2,0,0,0,0|1,0,0]=3 7880 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100015525214_100016270030 [0,2,0,0,0,0|1,0,0]=3 7881 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100015525214_100016270030 [0,2,0,0,0,0|1,0,0]=3 7882 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)F 11a_100015525214_200102525072 [0,2,0,0,0,0|1,0,0]=3 7883 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100015525214_200102525072 [0,2,0,0,0,0|1,0,0]=3 7884 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)Br 11a_100015525214_100011214948 [0,2,0,0,0,0|1,0,0]=3 7885 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100015525214_100011214948 [0,2,0,0,0,0|1,0,0]=3 7886 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)Cl 11a_100015525214_100102561868 [0,2,0,0,0,0|1,0,0]=3 7887 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100015525214_100102561868 [0,2,0,0,0,0|1,0,0]=3 7888 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)F 11a_100015525214_100011195072 [0,2,0,0,0,0|1,0,0]=3 7889 B15R1.791 CCNC(=O)C=Cc1ccc(cc1F)F 240690a_100015525214_100011195072 [0,2,0,0,0,0|1,0,0]=3 7890 B15R1.791 CCOC(=O)/C=C/c1ccc(cc1F)O 271570a_203496583355_200041487666 [0,2,0,0,0,0|0,0,0]=2 7891 B15R1.791 CCOC(=O)C=Cc1c[nH]c(=O)cc1F 271570a_100010199719_100015631685 [0,2,0,0,0,0|1,0,0]=3 7892 B15R1.791 CCOC(=O)C=Cc1c[nH]c(=O)nc1N 271570a_100010199719_100000050048 [0,2,0,0,0,0|2,0,0]=4 7893 B15R1.791 CCOC(=O)C=Cc1cc[n+](cc1C)[O-] 271570a_100010199719_100000074940 [0,2,0,0,0,0|1,0,0]=3 7894 B15R1.791 CCOC(=O)C=Cc1ccc(=O)[nH]c1N 271570a_100010199719_100009884077 [0,2,0,0,0,0|1,0,0]=3 7895 B15R1.791 CCOC(=O)C=Cc1ccc(c[n+]1[O-])C 271570a_100010199719_100009819918 [0,2,0,0,0,0|1,0,0]=3 7896 B15R1.791 CCOC(=O)C=Cc1ccc(c[n+]1[O-])F 271570a_100010199719_100009817261 [0,2,0,0,0,0|1,0,0]=3 7897 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)Br 271570a_100010199719_100011484698 [0,2,0,0,0,0|0,0,0]=2 7898 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)C 271570a_100010199719_100009813563 [0,2,0,0,0,0|0,0,0]=2 7899 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)Cl 271570a_100010199719_100011219703 [0,2,0,0,0,0|0,0,0]=2 7900 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)F 271570a_100010199719_100011217111 [0,2,0,0,0,0|0,0,0]=2 7901 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)N 271570a_100010199719_100000750458 [0,2,0,0,0,0|0,0,0]=2 7902 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Br)O 271570a_100010199719_100000701344 [0,2,0,0,0,0|0,0,0]=2 7903 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)Br 271570a_100010199719_100000701812 [0,2,0,0,0,0|0,0,0]=2 7904 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)C 271570a_100010199719_100011217332 [0,2,0,0,0,0|0,0,0]=2 7905 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)Cl 271570a_100010199719_100011219607 [0,2,0,0,0,0|0,0,0]=2 7906 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)F 271570a_100010199719_100011205405 [0,2,0,0,0,0|0,0,0]=2 7907 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)N 271570a_100010199719_100000210723 [0,2,0,0,0,0|0,0,0]=2 7908 B15R1.791 CCOC(=O)C=Cc1ccc(cc1C)O 271570a_100010199719_100000729255 [0,2,0,0,0,0|0,0,0]=2 7909 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)Br 271570a_100010199719_100011216062 [0,2,0,0,0,0|0,0,0]=2 7910 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)C 271570a_100010199719_100011263221 [0,2,0,0,0,0|0,0,0]=2 7911 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)Cl 271570a_100010199719_100000699841 [0,2,0,0,0,0|0,0,0]=2 7912 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)F 271570a_100010199719_100000733362 [0,2,0,0,0,0|0,0,0]=2 7913 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)N 271570a_100010199719_100000761885 [0,2,0,0,0,0|0,0,0]=2 7914 B15R1.791 CCOC(=O)C=Cc1ccc(cc1Cl)O 271570a_100010199719_100000047559 [0,2,0,0,0,0|0,0,0]=2 7915 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)Br 271570a_100010199719_100009814013 [0,2,0,0,0,0|0,0,0]=2 7916 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)C 271570a_100010199719_100011216119 [0,2,0,0,0,0|0,0,0]=2 7917 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)Cl 271570a_100010199719_100011216042 [0,2,0,0,0,0|0,0,0]=2 7918 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)F 271570a_100010199719_100000750030 [0,2,0,0,0,0|0,0,0]=2 7919 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)N 271570a_100010199719_100011356925 [0,2,0,0,0,0|0,0,0]=2 7920 B15R1.791 CCOC(=O)C=Cc1ccc(cc1F)O 271570a_100010199719_100000755031 [0,2,0,0,0,0|0,0,0]=2 7921 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)Br 271570a_100010199719_100000743836 [0,2,0,0,0,0|0,0,0]=2 7922 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)C 271570a_100010199719_100011216686 [0,2,0,0,0,0|0,0,0]=2 7923 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)Cl 271570a_100010199719_100000761886 [0,2,0,0,0,0|0,0,0]=2 7924 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)F 271570a_100010199719_100011218093 [0,2,0,0,0,0|0,0,0]=2 7925 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)N 271570a_100010199719_200012175722 [0,2,0,0,0,0|0,0,0]=2 7926 B15R1.791 CCOC(=O)C=Cc1ccc(cc1N)O 271570a_100010199719_100011999798 [0,2,0,0,0,0|0,0,0]=2 7927 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)Br 271570a_100010199719_100012344904 [0,2,0,0,0,0|0,0,0]=2 7928 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)C 271570a_100010199719_100012002257 [0,2,0,0,0,0|0,0,0]=2 7929 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)Cl 271570a_100010199719_100000050036 [0,2,0,0,0,0|0,0,0]=2 7930 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)F 271570a_100010199719_100000690578 [0,2,0,0,0,0|0,0,0]=2 7931 B15R1.791 CCOC(=O)C=Cc1ccc(cc1O)O 271570a_100010199719_100009813921 [0,2,0,0,0,0|0,0,0]=2 7932 B15R1.791 CCOC(=O)C=Cc1ccc(nc1Br)N 271570a_100010199719_100010734177 [0,2,0,0,0,0|1,0,0]=3 7933 B15R1.791 CCOC(=O)C=Cc1ccc(nc1C)C 271570a_100010199719_100009813853 [0,2,0,0,0,0|1,0,0]=3 7934 B15R1.791 CCOC(=O)C=Cc1ccc(nc1C)Cl 271570a_100010199719_100000062408 [0,2,0,0,0,0|1,0,0]=3 7935 B15R1.791 CCOC(=O)C=Cc1ccc(nc1C)F 271570a_100010199719_100000688911 [0,2,0,0,0,0|1,0,0]=3 7936 B15R1.791 CCOC(=O)C=Cc1ccc(nc1C)N 271570a_100010199719_100000013003 [0,2,0,0,0,0|1,0,0]=3 7937 B15R1.791 CCOC(=O)C=Cc1ccc(nc1C)O 271570a_100010199719_100000691680 [0,2,0,0,0,0|1,0,0]=3 7938 B15R1.791 CCOC(=O)C=Cc1ccc(nc1Cl)Br 271570a_100010199719_100010246183 [0,2,0,0,0,0|1,0,0]=3 7939 B15R1.791 CCOC(=O)C=Cc1ccc(nc1Cl)N 271570a_100010199719_100010270343 [0,2,0,0,0,0|1,0,0]=3 7940 B15R1.791 CCOC(=O)C=Cc1ccc(nc1F)C 271570a_100010199719_100010006597 [0,2,0,0,0,0|1,0,0]=3 7941 B15R1.791 CCOC(=O)C=Cc1ccc(nc1F)Cl 271570a_100010199719_100010168078 [0,2,0,0,0,0|1,0,0]=3 7942 B15R1.791 CCOC(=O)C=Cc1ccc(nc1F)F 271570a_100010199719_100000070099 [0,2,0,0,0,0|1,0,0]=3 7943 B15R1.791 CCOC(=O)C=Cc1ccc(nc1F)N 271570a_100010199719_100009882772 [0,2,0,0,0,0|1,0,0]=3 7944 B15R1.791 CCOC(=O)C=Cc1ccc(nc1F)O 271570a_100010199719_100009879308 [0,2,0,0,0,0|1,0,0]=3 7945 B15R1.791 CCOC(=O)C=Cc1ccc(nc1N)C 271570a_100010199719_100009816662 [0,2,0,0,0,0|1,0,0]=3 7946 B15R1.791 CCOC(=O)C=Cc1ccc(nc1N)Cl 271570a_100010199719_100010171640 [0,2,0,0,0,0|1,0,0]=3 7947 B15R1.791 CCOC(=O)C=Cc1ccc(nc1N)F 271570a_100010199719_100009854977 [0,2,0,0,0,0|1,0,0]=3 7948 B15R1.791 CCOC(=O)C=Cc1ccc(nc1N)N 271570a_100010199719_100011356871 [0,2,0,0,0,0|1,0,0]=3 7949 B15R1.791 CCOC(=O)C=Cc1ccc(nc1O)C 271570a_100010199719_100009817604 [0,2,0,0,0,0|1,0,0]=3 7950 B15R1.791 CCOC(=O)C=Cc1cnc([nH]c1=O)C 271570a_100010199719_100011999157 [0,2,0,0,0,0|2,0,0]=4 7951 B15R1.791 CCOC(=O)C=Cc1cnc([nH]c1=O)N 271570a_100010199719_100012456729 [0,2,0,0,0,0|2,0,0]=4 7952 B15R1.791 CCOC(=O)C=Cc1cnc([nH]c1=O)O 271570a_100010199719_100011215686 [0,2,0,0,0,0|2,0,0]=4 7953 B15R1.791 CCOC(=O)C=Cc1cnc(cc1Br)F 271570a_100010199719_100015451857 [0,2,0,0,0,0|1,0,0]=3 7954 B15R1.791 CCOC(=O)C=Cc1cnc(cc1Br)N 271570a_100010199719_100010074611 [0,2,0,0,0,0|1,0,0]=3 7955 B15R1.791 CCOC(=O)C=Cc1cnc(cc1C)Br 271570a_100010199719_100009816104 [0,2,0,0,0,0|1,0,0]=3 7956 B15R1.791 CCOC(=O)C=Cc1cnc(cc1C)C 271570a_100010199719_100009819613 [0,2,0,0,0,0|1,0,0]=3 7957 B15R1.791 CCOC(=O)C=Cc1cnc(cc1C)Cl 271570a_100010199719_100010172789 [0,2,0,0,0,0|1,0,0]=3 7958 B15R1.791 CCOC(=O)C=Cc1cnc(cc1C)F 271570a_100010199719_100009820716 [0,2,0,0,0,0|1,0,0]=3 7959 B15R1.791 CCOC(=O)C=Cc1cnc(cc1C)N 271570a_100010199719_100000050067 [0,2,0,0,0,0|1,0,0]=3 7960 B15R1.791 CCOC(=O)C=Cc1cnc(cc1C)O 271570a_100010199719_100010114363 [0,2,0,0,0,0|1,0,0]=3 7961 B15R1.791 CCOC(=O)C=Cc1cnc(cc1Cl)Br 271570a_100010199719_100010381092 [0,2,0,0,0,0|1,0,0]=3 7962 B15R1.791 CCOC(=O)C=Cc1cnc(cc1Cl)Cl 271570a_100010199719_100010200927 [0,2,0,0,0,0|1,0,0]=3 7963 B15R1.791 CCOC(=O)C=Cc1cnc(cc1Cl)N 271570a_100010199719_100000694920 [0,2,0,0,0,0|1,0,0]=3 7964 B15R1.791 CCOC(=O)C=Cc1cnc(cc1F)Cl 271570a_100010199719_100010128100 [0,2,0,0,0,0|1,0,0]=3 7965 B15R1.791 CCOC(=O)C=Cc1cnc(cc1F)N 271570a_100010199719_100009844730 [0,2,0,0,0,0|1,0,0]=3 7966 B15R1.791 CCOC(=O)C=Cc1cnc(cc1N)C 271570a_100010199719_100009817891 [0,2,0,0,0,0|1,0,0]=3 7967 B15R1.791 CCOC(=O)C=Cc1cnc(cc1N)N 271570a_100010199719_200009857908 [0,2,0,0,0,0|1,0,0]=3 7968 B15R1.791 CCOC(=O)C=Cc1cnc(cc1O)C 271570a_100010199719_100011016184 [0,2,0,0,0,0|1,0,0]=3 7969 B15R1.791 CCOC(=O)C=Cc1cnc(nc1C)N 271570a_100010199719_100000725598 [0,2,0,0,0,0|2,0,0]=4 7970 B15R1.791 CCOC(=O)C=Cc1cnc(nc1F)F 271570a_100010199719_100009820707 [0,2,0,0,0,0|2,0,0]=4 7971 B15R1.791 CCOC(=O)C=Cc1cnc(nc1N)C 271570a_100010199719_100000684960 [0,2,0,0,0,0|2,0,0]=4 7972 B15R1.791 CCOC(=O)C=Cc1cnc(nc1N)N 271570a_100010199719_200010734216 [0,2,0,0,0,0|2,0,0]=4 7973 B15R1.791 CCOC(=O)C=Cc1n[nH]c(=O)cc1C 271570a_100010199719_100000081757 [0,2,0,0,0,0|2,0,0]=4 7974 B15R1.791 CCOC(=O)C=Cc1ncc(cc1Br)Cl 271570a_100010199719_100012154958 [0,2,0,0,0,0|1,0,0]=3 7975 B15R1.791 CCOC(=O)C=Cc1ncc(cc1C)Br 271570a_100010199719_100012353652 [0,2,0,0,0,0|1,0,0]=3 7976 B15R1.791 CCOC(=O)C=Cc1ncc(cc1C)C 271570a_100010199719_100009864548 [0,2,0,0,0,0|1,0,0]=3 7977 B15R1.791 CCOC(=O)C=Cc1ncc(cc1C)F 271570a_100010199719_100009817009 [0,2,0,0,0,0|1,0,0]=3 7978 B15R1.791 CCOC(=O)C=Cc1ncc(cc1C)N 271570a_100010199719_100000761747 [0,2,0,0,0,0|1,0,0]=3 7979 B15R1.791 CCOC(=O)C=Cc1ncc(cc1C)O 271570a_100010199719_100012000486 [0,2,0,0,0,0|1,0,0]=3 7980 B15R1.791 CCOC(=O)C=Cc1ncc(cc1F)Br 271570a_100010199719_100012348576 [0,2,0,0,0,0|1,0,0]=3 7981 B15R1.791 CCOC(=O)C=Cc1ncc(cc1F)C 271570a_100010199719_100009819633 [0,2,0,0,0,0|1,0,0]=3 7982 B15R1.791 CCOC(=O)C=Cc1ncc(cc1F)Cl 271570a_100010199719_100012348686 [0,2,0,0,0,0|1,0,0]=3 7983 B15R1.791 CCOC(=O)C=Cc1ncc(cc1F)F 271570a_100010199719_100011219543 [0,2,0,0,0,0|1,0,0]=3 7984 B15R1.791 CCOC(=O)C=Cc1ncc(cc1F)N 271570a_100010199719_100010280766 [0,2,0,0,0,0|1,0,0]=3 7985 B15R1.791 CCOC(=O)C=Cc1ncc(cc1F)O 271570a_100010199719_100000063512 [0,2,0,0,0,0|1,0,0]=3 7986 B15R1.791 CCOC(=O)C=Cc1ncc(cc1N)Br 271570a_100010199719_100010090555 [0,2,0,0,0,0|1,0,0]=3 7987 B15R1.791 CCOC(=O)C=Cc1ncc(cc1N)C 271570a_100010199719_100000733613 [0,2,0,0,0,0|1,0,0]=3 7988 B15R1.791 CCOC(=O)C=Cc1ncc(cc1N)F 271570a_100010199719_100009817643 [0,2,0,0,0,0|1,0,0]=3 7989 B15R1.791 CCOC(=O)C=Cc1ncc(cc1N)N 271570a_100010199719_200000093520 [0,2,0,0,0,0|1,0,0]=3 7990 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)Br 271570a_100010199719_100010210634 [0,2,0,0,0,0|1,0,0]=3 7991 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)C 271570a_100010199719_100012000487 [0,2,0,0,0,0|1,0,0]=3 7992 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)Cl 271570a_100010199719_100010233512 [0,2,0,0,0,0|1,0,0]=3 7993 B15R1.791 CCOC(=O)C=Cc1ncc(cc1O)F 271570a_100010199719_100000079967 [0,2,0,0,0,0|1,0,0]=3 7994 B15R1.791 CCOC(=O)C=Cc1ncc(nc1C)C 271570a_100010199719_100000065684 [0,2,0,0,0,0|2,0,0]=4 7995 B15R1.791 CCOC(=O)C=Cc1ncc(nc1C)N 271570a_100010199719_100009818570 [0,2,0,0,0,0|2,0,0]=4 7996 B15R1.791 CCOC(=O)C=Cc1nnc(cc1C)N 271570a_100010199719_100000123434 [0,2,0,0,0,0|2,0,0]=4 7997 B15R1.791 CCOC(=O)CNc1ccc(cc1Br)Br 34a_100000211012_100000188475 [0,2,0,0,0,0|1,0,1]=4 7998 B15R1.791 CCOC(=O)CNc1ccc(cc1Br)C 34a_100000210942_100000188475 [0,2,0,0,0,0|1,0,1]=4 7999 B15R1.791 CCOC(=O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000188475 [0,2,0,0,0,0|1,0,1]=4 8000 B15R1.791 CCOC(=O)CNc1ccc(cc1Br)F 34a_100000738039_100000188475 [0,2,0,0,0,0|1,0,1]=4 8001 B15R1.791 CCOC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000188475 [0,2,0,0,0,0|1,0,1]=4 8002 B15R1.791 CCOC(=O)CNc1ccc(cc1C)Br 34a_100000211769_100000188475 [0,2,0,0,0,0|1,0,1]=4 8003 B15R1.791 CCOC(=O)CNc1ccc(cc1C)Br 7a_100000211769_100000188475 [0,2,0,0,0,0|1,0,1]=4 8004 B15R1.791 CCOC(=O)CNc1ccc(cc1C)C 34a_100000736561_100000188475 [0,2,0,0,0,0|1,0,1]=4 8005 B15R1.791 CCOC(=O)CNc1ccc(cc1C)C 7a_100000736561_100000188475 [0,2,0,0,0,0|1,0,1]=4 8006 B15R1.791 CCOC(=O)CNc1ccc(cc1C)Cl 34a_100000210418_100000188475 [0,2,0,0,0,0|1,0,1]=4 8007 B15R1.791 CCOC(=O)CNc1ccc(cc1C)Cl 7a_100000210418_100000188475 [0,2,0,0,0,0|1,0,1]=4 8008 B15R1.791 CCOC(=O)CNc1ccc(cc1C)F 34a_100000211637_100000188475 [0,2,0,0,0,0|1,0,1]=4 8009 B15R1.791 CCOC(=O)CNc1ccc(cc1C)F 7a_100000211637_100000188475 [0,2,0,0,0,0|1,0,1]=4 8010 B15R1.791 CCOC(=O)CNc1ccc(cc1C)I 34a_100000184554_100000188475 [0,2,0,0,0,0|1,0,1]=4 8011 B15R1.791 CCOC(=O)CNc1ccc(cc1C)I 7a_100000184554_100000188475 [0,2,0,0,0,0|1,0,1]=4 8012 B15R1.791 CCOC(=O)CNc1ccc(cc1C)O 34a_100000756630_100000188475 [0,2,0,0,0,0|1,0,1]=4 8013 B15R1.791 CCOC(=O)CNc1ccc(cc1Cl)Br 34a_100000211467_100000188475 [0,2,0,0,0,0|1,0,1]=4 8014 B15R1.791 CCOC(=O)CNc1ccc(cc1Cl)C 34a_100000210522_100000188475 [0,2,0,0,0,0|1,0,1]=4 8015 B15R1.791 CCOC(=O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000188475 [0,2,0,0,0,0|1,0,1]=4 8016 B15R1.791 CCOC(=O)CNc1ccc(cc1Cl)F 34a_100000212003_100000188475 [0,2,0,0,0,0|1,0,1]=4 8017 B15R1.791 CCOC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000188475 [0,2,0,0,0,0|1,0,1]=4 8018 B15R1.791 CCOC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000188475 [0,2,0,0,0,0|1,0,1]=4 8019 B15R1.791 CCOC(=O)CNc1ccc(cc1F)Br 34a_100000210722_100000188475 [0,2,0,0,0,0|1,0,1]=4 8020 B15R1.791 CCOC(=O)CNc1ccc(cc1F)C 34a_100000211023_100000188475 [0,2,0,0,0,0|1,0,1]=4 8021 B15R1.791 CCOC(=O)CNc1ccc(cc1F)Cl 34a_100000211020_100000188475 [0,2,0,0,0,0|1,0,1]=4 8022 B15R1.791 CCOC(=O)CNc1ccc(cc1F)F 34a_100000210720_100000188475 [0,2,0,0,0,0|1,0,1]=4 8023 B15R1.791 CCOC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000188475 [0,2,0,0,0,0|1,0,1]=4 8024 B15R1.791 CCOC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000188475 [0,2,0,0,0,0|1,0,1]=4 8025 B15R1.791 CCOC(=O)CNc1ccc(cc1I)Br 34a_100000187925_100000188475 [0,2,0,0,0,0|1,0,1]=4 8026 B15R1.791 CCOC(=O)CNc1ccc(cc1I)C 34a_100011356834_100000188475 [0,2,0,0,0,0|1,0,1]=4 8027 B15R1.791 CCOC(=O)CNc1ccc(cc1I)Cl 34a_100000761889_100000188475 [0,2,0,0,0,0|1,0,1]=4 8028 B15R1.791 CCOC(=O)CNc1ccc(cc1I)F 34a_100000760547_100000188475 [0,2,0,0,0,0|1,0,1]=4 8029 B15R1.791 CCOC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000188475 [0,2,0,0,0,0|1,0,1]=4 8030 B15R1.791 CCOC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000188475 [0,2,0,0,0,0|1,0,1]=4 8031 B15R1.791 CCOC(=O)CNc1ccc(cc1O)C 34a_100000211527_100000188475 [0,2,0,0,0,0|1,0,1]=4 8032 B15R1.791 CCOC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000188475 [0,2,0,0,0,0|1,0,1]=4 8033 B15R1.791 CCOC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000188475 [0,2,0,0,0,0|1,0,1]=4 8034 B15R1.791 CCOC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000188475 [0,2,0,0,0,0|1,0,1]=4 8035 B15R1.791 CCOC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000188475 [0,2,0,0,0,0|1,0,1]=4 8036 B15R1.791 CCOC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000188475 [0,2,0,0,0,0|1,0,1]=4 8037 B15R1.791 CCOC(=O)COc1ccc(cc1Br)C 34a_100000210800_100000188475 [0,2,0,0,0,0|1,0,1]=4 8038 B15R1.791 CCOC(=O)COc1ccc(cc1Br)C 7a_100000210800_100000188475 [0,2,0,0,0,0|1,0,1]=4 8039 B15R1.791 CCOC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000188475 [0,2,0,0,0,0|1,0,1]=4 8040 B15R1.791 CCOC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000188475 [0,2,0,0,0,0|1,0,1]=4 8041 B15R1.791 CCOC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000188475 [0,2,0,0,0,0|1,0,1]=4 8042 B15R1.791 CCOC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000188475 [0,2,0,0,0,0|1,0,1]=4 8043 B15R1.791 CCOC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000188475 [0,2,0,0,0,0|1,0,1]=4 8044 B15R1.791 CCOC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000188475 [0,2,0,0,0,0|1,0,1]=4 8045 B15R1.791 CCOC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000188475 [0,2,0,0,0,0|1,0,1]=4 8046 B15R1.791 CCOC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000188475 [0,2,0,0,0,0|1,0,1]=4 8047 B15R1.791 CCOC(=O)COc1ccc(cc1C)Br 34a_100000186361_100000188475 [0,2,0,0,0,0|1,0,1]=4 8048 B15R1.791 CCOC(=O)COc1ccc(cc1C)Br 7a_100000186361_100000188475 [0,2,0,0,0,0|1,0,1]=4 8049 B15R1.791 CCOC(=O)COc1ccc(cc1C)C 34a_100000211776_100000188475 [0,2,0,0,0,0|1,0,1]=4 8050 B15R1.791 CCOC(=O)COc1ccc(cc1C)C 7a_100000211776_100000188475 [0,2,0,0,0,0|1,0,1]=4 8051 B15R1.791 CCOC(=O)COc1ccc(cc1C)Cl 34a_100000211091_100000188475 [0,2,0,0,0,0|1,0,1]=4 8052 B15R1.791 CCOC(=O)COc1ccc(cc1C)Cl 7a_100000211091_100000188475 [0,2,0,0,0,0|1,0,1]=4 8053 B15R1.791 CCOC(=O)COc1ccc(cc1C)F 34a_100000764316_100000188475 [0,2,0,0,0,0|1,0,1]=4 8054 B15R1.791 CCOC(=O)COc1ccc(cc1C)F 7a_100000764316_100000188475 [0,2,0,0,0,0|1,0,1]=4 8055 B15R1.791 CCOC(=O)COc1ccc(cc1C)I 34a_100011218673_100000188475 [0,2,0,0,0,0|1,0,1]=4 8056 B15R1.791 CCOC(=O)COc1ccc(cc1C)I 7a_100011218673_100000188475 [0,2,0,0,0,0|1,0,1]=4 8057 B15R1.791 CCOC(=O)COc1ccc(cc1C)N 34a_100011218179_100000188475 [0,2,0,0,0,0|1,0,1]=4 8058 B15R1.791 CCOC(=O)COc1ccc(cc1C)N 7a_100011218179_100000188475 [0,2,0,0,0,0|1,0,1]=4 8059 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000188475 [0,2,0,0,0,0|1,0,1]=4 8060 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000188475 [0,2,0,0,0,0|1,0,1]=4 8061 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)C 34a_100000749699_100000188475 [0,2,0,0,0,0|1,0,1]=4 8062 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)C 7a_100000749699_100000188475 [0,2,0,0,0,0|1,0,1]=4 8063 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000188475 [0,2,0,0,0,0|1,0,1]=4 8064 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000188475 [0,2,0,0,0,0|1,0,1]=4 8065 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000188475 [0,2,0,0,0,0|1,0,1]=4 8066 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000188475 [0,2,0,0,0,0|1,0,1]=4 8067 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000188475 [0,2,0,0,0,0|1,0,1]=4 8068 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000188475 [0,2,0,0,0,0|1,0,1]=4 8069 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000188475 [0,2,0,0,0,0|1,0,1]=4 8070 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000188475 [0,2,0,0,0,0|1,0,1]=4 8071 B15R1.791 CCOC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000188475 [0,2,0,0,0,0|1,0,1]=4 8072 B15R1.791 CCOC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000188475 [0,2,0,0,0,0|1,0,1]=4 8073 B15R1.791 CCOC(=O)COc1ccc(cc1F)C 34a_100011216688_100000188475 [0,2,0,0,0,0|1,0,1]=4 8074 B15R1.791 CCOC(=O)COc1ccc(cc1F)C 7a_100011216688_100000188475 [0,2,0,0,0,0|1,0,1]=4 8075 B15R1.791 CCOC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000188475 [0,2,0,0,0,0|1,0,1]=4 8076 B15R1.791 CCOC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000188475 [0,2,0,0,0,0|1,0,1]=4 8077 B15R1.791 CCOC(=O)COc1ccc(cc1F)F 34a_100000230127_100000188475 [0,2,0,0,0,0|1,0,1]=4 8078 B15R1.791 CCOC(=O)COc1ccc(cc1F)F 7a_100000230127_100000188475 [0,2,0,0,0,0|1,0,1]=4 8079 B15R1.791 CCOC(=O)COc1ccc(cc1F)I 34a_100011356965_100000188475 [0,2,0,0,0,0|1,0,1]=4 8080 B15R1.791 CCOC(=O)COc1ccc(cc1F)I 7a_100011356965_100000188475 [0,2,0,0,0,0|1,0,1]=4 8081 B15R1.791 CCOC(=O)COc1ccc(cc1F)N 34a_100011220035_100000188475 [0,2,0,0,0,0|1,0,1]=4 8082 B15R1.791 CCOC(=O)COc1ccc(cc1F)N 7a_100011220035_100000188475 [0,2,0,0,0,0|1,0,1]=4 8083 B15R1.791 CCOC(=O)COc1ccc(cc1F)O 271570a_203496583355_100000171751 [0,2,0,0,0,0|1,0,1]=4 8084 B15R1.791 CCOC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000188475 [0,2,0,0,0,0|1,0,1]=4 8085 B15R1.791 CCOC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000188475 [0,2,0,0,0,0|1,0,1]=4 8086 B15R1.791 CCOC(=O)COc1ccc(cc1I)C 34a_100000765521_100000188475 [0,2,0,0,0,0|1,0,1]=4 8087 B15R1.791 CCOC(=O)COc1ccc(cc1I)C 7a_100000765521_100000188475 [0,2,0,0,0,0|1,0,1]=4 8088 B15R1.791 CCOC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000188475 [0,2,0,0,0,0|1,0,1]=4 8089 B15R1.791 CCOC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000188475 [0,2,0,0,0,0|1,0,1]=4 8090 B15R1.791 CCOC(=O)COc1ccc(cc1I)F 34a_100012355409_100000188475 [0,2,0,0,0,0|1,0,1]=4 8091 B15R1.791 CCOC(=O)COc1ccc(cc1I)F 7a_100012355409_100000188475 [0,2,0,0,0,0|1,0,1]=4 8092 B15R1.791 CCOC(=O)COc1ccc(cc1I)I 7a_100010001573_100000188475 [0,2,0,0,0,0|1,0,1]=4 8093 B15R1.791 CCOC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000188475 [0,2,0,0,0,0|1,0,1]=4 8094 B15R1.791 CCOC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000188475 [0,2,0,0,0,0|1,0,1]=4 8095 B15R1.791 CCOC(=O)COc1ccc(cc1N)C 34a_100011215204_100000188475 [0,2,0,0,0,0|1,0,1]=4 8096 B15R1.791 CCOC(=O)COc1ccc(cc1N)C 7a_100011215204_100000188475 [0,2,0,0,0,0|1,0,1]=4 8097 B15R1.791 CCOC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000188475 [0,2,0,0,0,0|1,0,1]=4 8098 B15R1.791 CCOC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000188475 [0,2,0,0,0,0|1,0,1]=4 8099 B15R1.791 CCOC(=O)COc1ccc(cc1N)F 34a_100000759472_100000188475 [0,2,0,0,0,0|1,0,1]=4 8100 B15R1.791 CCOC(=O)COc1ccc(cc1N)F 7a_100000759472_100000188475 [0,2,0,0,0,0|1,0,1]=4 8101 B15R1.791 CCOC(=O)COc1ccc(cc1N)I 34a_100000753495_100000188475 [0,2,0,0,0,0|1,0,1]=4 8102 B15R1.791 CCOC(=O)COc1ccc(cc1N)I 7a_100000753495_100000188475 [0,2,0,0,0,0|1,0,1]=4 8103 B15R1.791 CCOC(=O)COc1ccc(cc1N)N 34a_100000725306_100000188475 [0,2,0,0,0,0|1,0,1]=4 8104 B15R1.791 CCOC(=O)COc1ccc(cc1O)F 271570a_203496583355_200000171693 [0,2,0,0,0,0|1,0,1]=4 8105 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)Br 62a_100000188475_100011484698 [0,2,0,0,0,0|1,0,1]=4 8106 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)Br 62a_100011484698_100000188475 [0,2,0,0,0,0|1,0,1]=4 8107 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)C 62a_100000188475_100009813563 [0,2,0,0,0,0|1,0,1]=4 8108 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)C 62a_100009813563_100000188475 [0,2,0,0,0,0|1,0,1]=4 8109 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)Cl 62a_100000188475_100011219703 [0,2,0,0,0,0|1,0,1]=4 8110 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000188475 [0,2,0,0,0,0|1,0,1]=4 8111 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)F 62a_100000188475_100011217111 [0,2,0,0,0,0|1,0,1]=4 8112 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)F 62a_100011217111_100000188475 [0,2,0,0,0,0|1,0,1]=4 8113 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)N 62a_100000188475_100000750458 [0,2,0,0,0,0|1,0,1]=4 8114 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)N 62a_100000750458_100000188475 [0,2,0,0,0,0|1,0,1]=4 8115 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)O 62a_100000188475_100000701344 [0,2,0,0,0,0|1,0,1]=4 8116 B15R1.791 CCOC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000188475 [0,2,0,0,0,0|1,0,1]=4 8117 B15R1.791 CCOC(=O)CSc1ccc(cc1C)Br 62a_100000188475_100000701812 [0,2,0,0,0,0|1,0,1]=4 8118 B15R1.791 CCOC(=O)CSc1ccc(cc1C)Br 62a_100000701812_100000188475 [0,2,0,0,0,0|1,0,1]=4 8119 B15R1.791 CCOC(=O)CSc1ccc(cc1C)C 62a_100000188475_100011217332 [0,2,0,0,0,0|1,0,1]=4 8120 B15R1.791 CCOC(=O)CSc1ccc(cc1C)C 62a_100011217332_100000188475 [0,2,0,0,0,0|1,0,1]=4 8121 B15R1.791 CCOC(=O)CSc1ccc(cc1C)Cl 62a_100000188475_100011219607 [0,2,0,0,0,0|1,0,1]=4 8122 B15R1.791 CCOC(=O)CSc1ccc(cc1C)Cl 62a_100011219607_100000188475 [0,2,0,0,0,0|1,0,1]=4 8123 B15R1.791 CCOC(=O)CSc1ccc(cc1C)F 62a_100000188475_100011205405 [0,2,0,0,0,0|1,0,1]=4 8124 B15R1.791 CCOC(=O)CSc1ccc(cc1C)F 62a_100011205405_100000188475 [0,2,0,0,0,0|1,0,1]=4 8125 B15R1.791 CCOC(=O)CSc1ccc(cc1C)N 62a_100000188475_100000210723 [0,2,0,0,0,0|1,0,1]=4 8126 B15R1.791 CCOC(=O)CSc1ccc(cc1C)N 62a_100000210723_100000188475 [0,2,0,0,0,0|1,0,1]=4 8127 B15R1.791 CCOC(=O)CSc1ccc(cc1C)O 62a_100000188475_100000690111 [0,2,0,0,0,0|1,0,1]=4 8128 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)Br 62a_100000188475_100011216062 [0,2,0,0,0,0|1,0,1]=4 8129 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)Br 62a_100011216062_100000188475 [0,2,0,0,0,0|1,0,1]=4 8130 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)C 62a_100000188475_100011263221 [0,2,0,0,0,0|1,0,1]=4 8131 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)C 62a_100011263221_100000188475 [0,2,0,0,0,0|1,0,1]=4 8132 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)Cl 62a_100000188475_100000699841 [0,2,0,0,0,0|1,0,1]=4 8133 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000188475 [0,2,0,0,0,0|1,0,1]=4 8134 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)F 62a_100000188475_100000733362 [0,2,0,0,0,0|1,0,1]=4 8135 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)F 62a_100000733362_100000188475 [0,2,0,0,0,0|1,0,1]=4 8136 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)N 62a_100000188475_100000761885 [0,2,0,0,0,0|1,0,1]=4 8137 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)N 62a_100000761885_100000188475 [0,2,0,0,0,0|1,0,1]=4 8138 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000188475 [0,2,0,0,0,0|1,0,1]=4 8139 B15R1.791 CCOC(=O)CSc1ccc(cc1Cl)O 62a_100000188475_100000047559 [0,2,0,0,0,0|1,0,1]=4 8140 B15R1.791 CCOC(=O)CSc1ccc(cc1F)Br 62a_100000188475_100009814013 [0,2,0,0,0,0|1,0,1]=4 8141 B15R1.791 CCOC(=O)CSc1ccc(cc1F)Br 62a_100009814013_100000188475 [0,2,0,0,0,0|1,0,1]=4 8142 B15R1.791 CCOC(=O)CSc1ccc(cc1F)C 62a_100000188475_100011216119 [0,2,0,0,0,0|1,0,1]=4 8143 B15R1.791 CCOC(=O)CSc1ccc(cc1F)C 62a_100011216119_100000188475 [0,2,0,0,0,0|1,0,1]=4 8144 B15R1.791 CCOC(=O)CSc1ccc(cc1F)Cl 62a_100000188475_100011216042 [0,2,0,0,0,0|1,0,1]=4 8145 B15R1.791 CCOC(=O)CSc1ccc(cc1F)Cl 62a_100011216042_100000188475 [0,2,0,0,0,0|1,0,1]=4 8146 B15R1.791 CCOC(=O)CSc1ccc(cc1F)F 62a_100000188475_100000750030 [0,2,0,0,0,0|1,0,1]=4 8147 B15R1.791 CCOC(=O)CSc1ccc(cc1F)F 62a_100000750030_100000188475 [0,2,0,0,0,0|1,0,1]=4 8148 B15R1.791 CCOC(=O)CSc1ccc(cc1F)N 62a_100000188475_100011356925 [0,2,0,0,0,0|1,0,1]=4 8149 B15R1.791 CCOC(=O)CSc1ccc(cc1F)N 62a_100011356925_100000188475 [0,2,0,0,0,0|1,0,1]=4 8150 B15R1.791 CCOC(=O)CSc1ccc(cc1F)O 62a_100000188475_100000755031 [0,2,0,0,0,0|1,0,1]=4 8151 B15R1.791 CCOC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000188475 [0,2,0,0,0,0|1,0,1]=4 8152 B15R1.791 CCOC(=O)CSc1ccc(cc1N)Br 62a_100000188475_100000743836 [0,2,0,0,0,0|1,0,1]=4 8153 B15R1.791 CCOC(=O)CSc1ccc(cc1N)Br 62a_100000743836_100000188475 [0,2,0,0,0,0|1,0,1]=4 8154 B15R1.791 CCOC(=O)CSc1ccc(cc1N)C 62a_100000188475_100011216686 [0,2,0,0,0,0|1,0,1]=4 8155 B15R1.791 CCOC(=O)CSc1ccc(cc1N)C 62a_100011216686_100000188475 [0,2,0,0,0,0|1,0,1]=4 8156 B15R1.791 CCOC(=O)CSc1ccc(cc1N)Cl 62a_100000188475_100000761886 [0,2,0,0,0,0|1,0,1]=4 8157 B15R1.791 CCOC(=O)CSc1ccc(cc1N)Cl 62a_100000761886_100000188475 [0,2,0,0,0,0|1,0,1]=4 8158 B15R1.791 CCOC(=O)CSc1ccc(cc1N)F 62a_100000188475_100000687223 [0,2,0,0,0,0|1,0,1]=4 8159 B15R1.791 CCOC(=O)CSc1ccc(cc1N)F 62a_100000687223_100000188475 [0,2,0,0,0,0|1,0,1]=4 8160 B15R1.791 CCOC(=O)CSc1ccc(cc1N)N 62a_100000188475_200012175722 [0,2,0,0,0,0|1,0,1]=4 8161 B15R1.791 CCOC(=O)CSc1ccc(cc1N)N 62a_200012175722_100000188475 [0,2,0,0,0,0|1,0,1]=4 8162 B15R1.791 CCOC(=O)CSc1ccc(cc1N)O 62a_100000188475_100011999798 [0,2,0,0,0,0|1,0,1]=4 8163 B15R1.791 CCOC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000188475 [0,2,0,0,0,0|1,0,1]=4 8164 B15R1.791 CCOC(=O)CSc1ccc(cc1O)Br 62a_100000188475_100012344904 [0,2,0,0,0,0|1,0,1]=4 8165 B15R1.791 CCOC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000188475 [0,2,0,0,0,0|1,0,1]=4 8166 B15R1.791 CCOC(=O)CSc1ccc(cc1O)C 62a_100000188475_100012002257 [0,2,0,0,0,0|1,0,1]=4 8167 B15R1.791 CCOC(=O)CSc1ccc(cc1O)C 62a_100012002257_100000188475 [0,2,0,0,0,0|1,0,1]=4 8168 B15R1.791 CCOC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000188475 [0,2,0,0,0,0|1,0,1]=4 8169 B15R1.791 CCOC(=O)CSc1ccc(cc1O)Cl 62a_100000188475_100000050036 [0,2,0,0,0,0|1,0,1]=4 8170 B15R1.791 CCOC(=O)CSc1ccc(cc1O)F 62a_100000188475_100000690578 [0,2,0,0,0,0|1,0,1]=4 8171 B15R1.791 CCOC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000188475 [0,2,0,0,0,0|1,0,1]=4 8172 B15R1.791 CCOC(=O)CSc1ccc(cc1O)O 62a_100000188475_100009813921 [0,2,0,0,0,0|1,0,1]=4 8173 B15R1.791 CNNC(=O)C=Cc1ccc(cc1Br)F 22a_100016993582_200102591336 [0,2,0,0,0,0|2,0,0]=4 8174 B15R1.791 CNNC(=O)C=Cc1ccc(cc1C)C 22a_100016993582_100000238256 [0,2,0,0,0,0|2,0,0]=4 8175 B15R1.791 CNNC(=O)C=Cc1ccc(cc1C)F 22a_100016993582_100016280397 [0,2,0,0,0,0|2,0,0]=4 8176 B15R1.791 CNNC(=O)C=Cc1ccc(cc1C)O 22a_100016993582_200132309679 [0,2,0,0,0,0|2,0,0]=4 8177 B15R1.791 CNNC(=O)C=Cc1ccc(cc1Cl)Br 22a_100016993582_100102525105 [0,2,0,0,0,0|2,0,0]=4 8178 B15R1.791 CNNC(=O)C=Cc1ccc(cc1Cl)Cl 22a_100016993582_100016270030 [0,2,0,0,0,0|2,0,0]=4 8179 B15R1.791 CNNC(=O)C=Cc1ccc(cc1Cl)F 22a_100016993582_200102525072 [0,2,0,0,0,0|2,0,0]=4 8180 B15R1.791 CNNC(=O)C=Cc1ccc(cc1F)Br 22a_100016993582_100011214948 [0,2,0,0,0,0|2,0,0]=4 8181 B15R1.791 CNNC(=O)C=Cc1ccc(cc1F)Cl 22a_100016993582_100102561868 [0,2,0,0,0,0|2,0,0]=4 8182 B15R1.791 CNNC(=O)C=Cc1ccc(cc1F)F 22a_100016993582_100011195072 [0,2,0,0,0,0|2,0,0]=4 8183 B15R1.791 COCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000211753 [0,2,0,0,0,0|2,0,0]=4 8184 B15R1.791 COCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000211753 [0,2,0,0,0,0|2,0,0]=4 8185 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000211753 [0,2,0,0,0,0|2,0,0]=4 8186 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000211753 [0,2,0,0,0,0|2,0,0]=4 8187 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000211753 [0,2,0,0,0,0|2,0,0]=4 8188 B15R1.791 COCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000211753 [0,2,0,0,0,0|2,0,0]=4 8189 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000211753 [0,2,0,0,0,0|2,0,0]=4 8190 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000211753 [0,2,0,0,0,0|2,0,0]=4 8191 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000211753 [0,2,0,0,0,0|2,0,0]=4 8192 B15R1.791 COCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000211753 [0,2,0,0,0,0|2,0,0]=4 8193 B15R1.791 COCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000211753 [0,2,0,0,0,0|2,0,0]=4 8194 B15R1.791 CSCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100011216314 [0,2,0,0,0,0|2,0,0]=4 8195 B15R1.791 CSCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100011216314 [0,2,0,0,0,0|2,0,0]=4 8196 B15R1.791 CSCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100011216314 [0,2,0,0,0,0|2,0,0]=4 8197 B15R1.791 CSCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100011216314 [0,2,0,0,0,0|2,0,0]=4 8198 B15R1.791 CSCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100011216314 [0,2,0,0,0,0|2,0,0]=4 8199 B15R1.791 CSCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100011216314 [0,2,0,0,0,0|2,0,0]=4 8200 B15R1.791 CSCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100011216314 [0,2,0,0,0,0|2,0,0]=4 8201 B15R1.791 CSCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100011216314 [0,2,0,0,0,0|2,0,0]=4 8202 B15R1.791 CSCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100011216314 [0,2,0,0,0,0|2,0,0]=4 8203 B15R1.791 CSCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100011216314 [0,2,0,0,0,0|2,0,0]=4 8204 B15R1.791 CSCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100011216314 [0,2,0,0,0,0|2,0,0]=4 8205 B15R1.791 Cc1ccc(c(c1)F)C=CC(=O)CCBr 6a_100011217368_100011261029 [0,2,0,0,0,0|2,0,0]=4 8206 B15R1.791 Cc1ccc(c(c1)F)C=CC(=O)CCCl 6a_100011217368_100000053229 [0,2,0,0,0,0|2,0,0]=4 8207 B15R1.791 Cc1ccc(c(c1)I)C=CC(=O)CCBr 6a_100010150104_100011261029 [0,2,0,0,0,0|2,0,0]=4 8208 B15R1.791 Cc1ccc(c(c1)I)C=CC(=O)CCCl 6a_100010150104_100000053229 [0,2,0,0,0,0|2,0,0]=4 8209 B15R1.791 O=C(C=Cc1ccc(cc1Br)F)CCF 1458a_200102591336_100011217306 [0,2,0,0,0,0|2,0,0]=4 8210 B15R1.791 O=C(C=Cc1ccc(cc1Br)F)CCO 1458a_200102591336_100000211926 [0,2,0,0,0,0|2,0,0]=4 8211 B15R1.791 O=C(C=Cc1ccc(cc1Br)I)CCBr 6a_100010185650_100011261029 [0,2,0,0,0,0|2,0,0]=4 8212 B15R1.791 O=C(C=Cc1ccc(cc1Br)I)CCCl 6a_100010185650_100000053229 [0,2,0,0,0,0|2,0,0]=4 8213 B15R1.791 O=C(C=Cc1ccc(cc1Cl)Br)CCF 1458a_100102525105_100011217306 [0,2,0,0,0,0|2,0,0]=4 8214 B15R1.791 O=C(C=Cc1ccc(cc1Cl)Br)CCO 1458a_100102525105_100000211926 [0,2,0,0,0,0|2,0,0]=4 8215 B15R1.791 O=C(C=Cc1ccc(cc1Cl)Cl)CCF 1458a_100016270030_100011217306 [0,2,0,0,0,0|2,0,0]=4 8216 B15R1.791 O=C(C=Cc1ccc(cc1Cl)Cl)CCO 1458a_100016270030_100000211926 [0,2,0,0,0,0|2,0,0]=4 8217 B15R1.791 O=C(C=Cc1ccc(cc1Cl)F)CCF 1458a_200102525072_100011217306 [0,2,0,0,0,0|2,0,0]=4 8218 B15R1.791 O=C(C=Cc1ccc(cc1Cl)F)CCO 1458a_200102525072_100000211926 [0,2,0,0,0,0|2,0,0]=4 8219 B15R1.791 O=C(C=Cc1ccc(cc1Cl)I)CCBr 6a_100000727542_100011261029 [0,2,0,0,0,0|2,0,0]=4 8220 B15R1.791 O=C(C=Cc1ccc(cc1Cl)I)CCCl 6a_100000727542_100000053229 [0,2,0,0,0,0|2,0,0]=4 8221 B15R1.791 O=C(C=Cc1ccc(cc1F)Br)CCBr 6a_100000211676_100011261029 [0,2,0,0,0,0|2,0,0]=4 8222 B15R1.791 O=C(C=Cc1ccc(cc1F)Br)CCCl 6a_100000211676_100000053229 [0,2,0,0,0,0|2,0,0]=4 8223 B15R1.791 O=C(C=Cc1ccc(cc1F)Br)CCF 1458a_100011214948_100011217306 [0,2,0,0,0,0|2,0,0]=4 8224 B15R1.791 O=C(C=Cc1ccc(cc1F)Br)CCO 1458a_100011214948_100000211926 [0,2,0,0,0,0|2,0,0]=4 8225 B15R1.791 O=C(C=Cc1ccc(cc1F)Cl)CCF 1458a_100102561868_100011217306 [0,2,0,0,0,0|2,0,0]=4 8226 B15R1.791 O=C(C=Cc1ccc(cc1F)Cl)CCO 1458a_100102561868_100000211926 [0,2,0,0,0,0|2,0,0]=4 8227 B15R1.791 O=C(C=Cc1ccc(cc1F)F)CCBr 6a_100000211964_100011261029 [0,2,0,0,0,0|2,0,0]=4 8228 B15R1.791 O=C(C=Cc1ccc(cc1F)F)CCCl 6a_100000211964_100000053229 [0,2,0,0,0,0|2,0,0]=4 8229 B15R1.791 O=C(C=Cc1ccc(cc1F)F)CCF 1458a_100011195072_100011217306 [0,2,0,0,0,0|2,0,0]=4 8230 B15R1.791 O=C(C=Cc1ccc(cc1F)F)CCO 1458a_100011195072_100000211926 [0,2,0,0,0,0|2,0,0]=4 8231 B15R1.791 O=C(C=Cc1ccc(cc1F)I)CCBr 6a_100000050965_100011261029 [0,2,0,0,0,0|2,0,0]=4 8232 B15R1.791 O=C(C=Cc1ccc(cc1F)I)CCCl 6a_100000050965_100000053229 [0,2,0,0,0,0|2,0,0]=4 8233 B15R1.791 O=C(C=Cc1ccc(cc1I)Br)CCBr 6a_100010146562_100011261029 [0,2,0,0,0,0|2,0,0]=4 8234 B15R1.791 O=C(C=Cc1ccc(cc1I)Br)CCCl 6a_100010146562_100000053229 [0,2,0,0,0,0|2,0,0]=4 8235 B15R1.791 O=C(C=Cc1ccc(cc1I)F)CCBr 6a_100010254405_100011261029 [0,2,0,0,0,0|2,0,0]=4 8236 B15R1.791 O=C(C=Cc1ccc(cc1I)F)CCCl 6a_100010254405_100000053229 [0,2,0,0,0,0|2,0,0]=4 8237 B15R1.791 O=C(C=Cc1ccc(cc1I)O)CCBr 6a_100000051608_100011261029 [0,2,0,0,0,0|2,0,0]=4 8238 B15R1.791 O=C(C=Cc1ccc(cc1I)O)CCCl 6a_100000051608_100000053229 [0,2,0,0,0,0|2,0,0]=4 8239 B15R1.791 O=C(C=Cc1ccc(cc1O)I)CCBr 6a_100000050530_100011261029 [0,2,0,0,0,0|2,0,0]=4 8240 B15R1.791 O=C(C=Cc1ccc(cc1O)I)CCCl 6a_100000050530_100000053229 [0,2,0,0,0,0|2,0,0]=4 8241 B15R1.793 C#Cc1ccc(cc1)NCC(=O)OCC 34a_100011215031_100000188475 [0,2,0,0,0,0|1,0,1]=4 8242 B15R1.793 C=Cc1ccc(cc1)/C=C/C(=O)OCC 271570a_100011290941_100016304033 [0,2,0,0,0,0|0,0,0]=2 8243 B15R1.793 C=Cc1ccc(cc1)CCC(=O)OCC 271570a_100011290941_100012353604 [0,2,0,0,0,0|0,0,2]=4 8244 B15R1.793 C=Cc1ccc(cc1)NCC(=O)OCC 271570a_100011290941_200000220479 [0,2,0,0,0,0|1,0,1]=4 8245 B15R1.793 C=Cc1ccc(cc1)NCC(=O)OCC 34a_100011218248_100000188475 [0,2,0,0,0,0|1,0,1]=4 8246 B15R1.793 C=Cc1ccc(cc1)OCC(=O)OCC 271570a_100011290941_100000170664 [0,2,0,0,0,0|1,0,1]=4 8247 B15R1.793 C=Cc1ccc(cc1)OCC(=O)OCC 34a_100000189437_100000188475 [0,2,0,0,0,0|1,0,1]=4 8248 B15R1.793 C=Cc1ccc(cc1)OCC(=O)OCC 7a_100000189437_100000188475 [0,2,0,0,0,0|1,0,1]=4 8249 B15R1.793 C=Cc1ccc(cc1)SCC(=O)OCC 62a_100000188475_100000748128 [0,2,0,0,0,0|1,0,1]=4 8250 B15R1.793 C=Cc1ccc(cc1)SCC(=O)OCC 62a_100000748128_100000188475 [0,2,0,0,0,0|1,0,1]=4 8251 B15R1.793 CCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000210303 [0,2,0,0,0,0|1,0,0]=3 8252 B15R1.793 CCCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210303 [0,2,0,0,0,0|1,0,0]=3 8253 B15R1.793 CCCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210303 [0,2,0,0,0,0|1,0,0]=3 8254 B15R1.793 CCCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210303 [0,2,0,0,0,0|1,0,0]=3 8255 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)C#N 11a_100015525214_100000185084 [0,2,0,0,0,0|1,0,0]=3 8256 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100015525214_100000185084 [0,2,0,0,0,0|1,0,0]=3 8257 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)CC 11a_100015525214_100000187855 [0,2,0,0,0,0|1,0,0]=3 8258 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)CC 240690a_100015525214_100000187855 [0,2,0,0,0,0|1,0,0]=3 8259 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)OC 11a_100015525214_100000184205 [0,2,0,0,0,0|1,0,0]=3 8260 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)OC 527a_100015525214_100000184205 [0,2,0,0,0,0|1,0,0]=3 8261 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)SC 11a_100015525214_100102526083 [0,2,0,0,0,0|1,0,0]=3 8262 B15R1.793 CCNC(=O)C=Cc1ccc(cc1)SC 240690a_100015525214_100102526083 [0,2,0,0,0,0|1,0,0]=3 8263 B15R1.793 CCOC(=O)/C=C/c1ccc(cc1)SC 62a_100016304033_200000210301 [0,2,0,0,0,0|0,0,0]=2 8264 B15R1.793 CCOC(=O)/C=C/c1ccc(cc1)SC 62a_200000210301_100016304033 [0,2,0,0,0,0|0,0,0]=2 8265 B15R1.793 CCOC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_100016304033_200025704644 [0,2,0,0,0,0|0,0,0]=2 8266 B15R1.793 CCOC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016304033 [0,2,0,0,0,0|0,0,0]=2 8267 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)C#N 271570a_100010199719_100000179745 [0,2,0,0,0,0|0,0,0]=2 8268 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)C=O 271570a_100010199719_100000186029 [0,2,0,0,0,0|0,0,0]=2 8269 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)CC 271570a_100010199719_100011215824 [0,2,0,0,0,0|0,0,0]=2 8270 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)CF 271570a_100010199719_100010268989 [0,2,0,0,0,0|0,0,0]=2 8271 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)CN 271570a_100010199719_100016989417 [0,2,0,0,0,0|0,0,0]=2 8272 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)CO 271570a_100010199719_100000690907 [0,2,0,0,0,0|0,0,0]=2 8273 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)NC 271570a_100010199719_100000219623 [0,2,0,0,0,0|0,0,0]=2 8274 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)NN 271570a_100010199719_100016988836 [0,2,0,0,0,0|0,0,0]=2 8275 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)OC 271570a_100010199719_100000171711 [0,2,0,0,0,0|0,0,0]=2 8276 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)SC 271570a_100010199719_100011263217 [0,2,0,0,0,0|0,0,0]=2 8277 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)C#N 271570a_100010199719_100000241038 [0,2,0,0,0,0|1,0,0]=3 8278 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)C=O 271570a_100010199719_100000766901 [0,2,0,0,0,0|1,0,0]=3 8279 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)CC 271570a_100010199719_100009843584 [0,2,0,0,0,0|1,0,0]=3 8280 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)CN 271570a_100010199719_100009817727 [0,2,0,0,0,0|1,0,0]=3 8281 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)CO 271570a_100010199719_100009816760 [0,2,0,0,0,0|1,0,0]=3 8282 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)NC 271570a_100010199719_100000764248 [0,2,0,0,0,0|1,0,0]=3 8283 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)NN 271570a_100010199719_100000119030 [0,2,0,0,0,0|1,0,0]=3 8284 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)OC 271570a_100010199719_100000755202 [0,2,0,0,0,0|1,0,0]=3 8285 B15R1.793 CCOC(=O)C=Cc1ccc(cn1)SC 271570a_100010199719_100009820866 [0,2,0,0,0,0|1,0,0]=3 8286 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)C#N 271570a_100010199719_100000760455 [0,2,0,0,0,0|1,0,0]=3 8287 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)C=O 271570a_100010199719_100000754260 [0,2,0,0,0,0|1,0,0]=3 8288 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)CC 271570a_100010199719_100009820025 [0,2,0,0,0,0|1,0,0]=3 8289 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)CN 271570a_100010199719_100015188789 [0,2,0,0,0,0|1,0,0]=3 8290 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)CO 271570a_100010199719_100000754261 [0,2,0,0,0,0|1,0,0]=3 8291 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)NC 271570a_100010199719_100000741341 [0,2,0,0,0,0|1,0,0]=3 8292 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)NN 271570a_100010199719_100000750576 [0,2,0,0,0,0|1,0,0]=3 8293 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)OC 271570a_100010199719_100000047065 [0,2,0,0,0,0|1,0,0]=3 8294 B15R1.793 CCOC(=O)C=Cc1ccc(nc1)SC 271570a_100010199719_100011408404 [0,2,0,0,0,0|1,0,0]=3 8295 B15R1.793 CCOC(=O)C=Cc1ccc(nn1)C#N 271570a_100010199719_100000094388 [0,2,0,0,0,0|2,0,0]=4 8296 B15R1.793 CCOC(=O)C=Cc1ccc(nn1)C=O 271570a_100010199719_100000044651 [0,2,0,0,0,0|2,0,0]=4 8297 B15R1.793 CCOC(=O)C=Cc1ccc(nn1)NC 271570a_100010199719_100000215272 [0,2,0,0,0,0|2,0,0]=4 8298 B15R1.793 CCOC(=O)C=Cc1ccc(nn1)NN 271570a_100010199719_100000182438 [0,2,0,0,0,0|2,0,0]=4 8299 B15R1.793 CCOC(=O)C=Cc1ccc(nn1)OC 271570a_100010199719_100009819040 [0,2,0,0,0,0|2,0,0]=4 8300 B15R1.793 CCOC(=O)C=Cc1cnc(cn1)C#N 271570a_100010199719_100000059812 [0,2,0,0,0,0|2,0,0]=4 8301 B15R1.793 CCOC(=O)C=Cc1cnc(cn1)C=O 271570a_100010199719_100012001714 [0,2,0,0,0,0|2,0,0]=4 8302 B15R1.793 CCOC(=O)C=Cc1cnc(cn1)CO 271570a_100010199719_100012002382 [0,2,0,0,0,0|2,0,0]=4 8303 B15R1.793 CCOC(=O)C=Cc1cnc(cn1)NC 271570a_100010199719_100012000640 [0,2,0,0,0,0|2,0,0]=4 8304 B15R1.793 CCOC(=O)C=Cc1cnc(cn1)NN 271570a_100010199719_100000121042 [0,2,0,0,0,0|2,0,0]=4 8305 B15R1.793 CCOC(=O)C=Cc1cnc(cn1)OC 271570a_100010199719_100011998698 [0,2,0,0,0,0|2,0,0]=4 8306 B15R1.793 CCOC(=O)C=Cc1cnc(cn1)SC 271570a_100010199719_200012356277 [0,2,0,0,0,0|2,0,0]=4 8307 B15R1.793 CCOC(=O)C=Cc1cnc(nc1)C#N 271570a_100010199719_100000766871 [0,2,0,0,0,0|2,0,0]=4 8308 B15R1.793 CCOC(=O)C=Cc1cnc(nc1)CN 271570a_100010199719_200016993442 [0,2,0,0,0,0|2,0,0]=4 8309 B15R1.793 CCOC(=O)C=Cc1cnc(nc1)CO 271570a_100010199719_100009867226 [0,2,0,0,0,0|2,0,0]=4 8310 B15R1.793 CCOC(=O)C=Cc1cnc(nc1)NC 271570a_100010199719_100000697329 [0,2,0,0,0,0|2,0,0]=4 8311 B15R1.793 CCOC(=O)C=Cc1cnc(nc1)NN 271570a_100010199719_100011203108 [0,2,0,0,0,0|2,0,0]=4 8312 B15R1.793 CCOC(=O)C=Cc1cnc(nc1)OC 271570a_100010199719_100000686852 [0,2,0,0,0,0|2,0,0]=4 8313 B15R1.793 CCOC(=O)C=Cc1cnc(nc1)SC 271570a_100010199719_100000722549 [0,2,0,0,0,0|2,0,0]=4 8314 B15R1.793 CCOC(=O)C=Cc1ncc(cn1)C#N 271570a_100010199719_100000099682 [0,2,0,0,0,0|2,0,0]=4 8315 B15R1.793 CCOC(=O)C=Cc1ncc(cn1)C=O 271570a_100010199719_100000070856 [0,2,0,0,0,0|2,0,0]=4 8316 B15R1.793 CCOC(=O)C=Cc1ncc(cn1)CC 271570a_100010199719_100000033099 [0,2,0,0,0,0|2,0,0]=4 8317 B15R1.793 CCOC(=O)C=Cc1ncc(cn1)CO 271570a_100010199719_100009855073 [0,2,0,0,0,0|2,0,0]=4 8318 B15R1.793 CCOC(=O)C=Cc1ncc(cn1)OC 271570a_100010199719_100000069167 [0,2,0,0,0,0|2,0,0]=4 8319 B15R1.793 CCOC(=O)C=Cc1ncc(cn1)SC 271570a_100010199719_100000718988 [0,2,0,0,0,0|2,0,0]=4 8320 B15R1.793 CCOC(=O)CCc1ccc(cc1)OC 34a_100000042238_200000210301 [0,2,0,0,0,0|0,0,2]=4 8321 B15R1.793 CCOC(=O)CCc1ccc(cc1)OC 7a_100000042238_200000210301 [0,2,0,0,0,0|0,0,2]=4 8322 B15R1.793 CCOC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000042238_200025704644 [0,2,0,0,0,0|0,0,2]=4 8323 B15R1.793 CCOC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000042238_200025704644 [0,2,0,0,0,0|0,0,2]=4 8324 B15R1.793 CCOC(=O)CCc1ccc(cc1)SC 62a_100012353604_200000210301 [0,2,0,0,0,0|0,0,2]=4 8325 B15R1.793 CCOC(=O)CCc1ccc(cc1)SC 62a_200000210301_100012353604 [0,2,0,0,0,0|0,0,2]=4 8326 B15R1.793 CCOC(=O)CCc1ccc(cc1)S[13CH3] 62a_100012353604_200025704644 [0,2,0,0,0,0|0,0,2]=4 8327 B15R1.793 CCOC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100012353604 [0,2,0,0,0,0|0,0,2]=4 8328 B15R1.793 CCOC(=O)CNc1ccc(cc1)C#N 34a_100000185469_100000188475 [0,2,0,0,0,0|1,0,1]=4 8329 B15R1.793 CCOC(=O)CNc1ccc(cc1)CC 2230a_100000211069_100000188475 [0,2,0,0,0,0|1,0,1]=4 8330 B15R1.793 CCOC(=O)CNc1ccc(cc1)CC 34a_100000211069_100000188475 [0,2,0,0,0,0|1,0,1]=4 8331 B15R1.793 CCOC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000188475 [0,2,0,0,0,0|1,0,1]=4 8332 B15R1.793 CCOC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000188475 [0,2,0,0,0,0|1,0,1]=4 8333 B15R1.793 CCOC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000188475 [0,2,0,0,0,0|1,0,1]=4 8334 B15R1.793 CCOC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000188475 [0,2,0,0,0,0|1,0,1]=4 8335 B15R1.793 CCOC(=O)CNc1ccc(cc1)SC 62a_200000210301_200000220479 [0,2,0,0,0,0|1,0,1]=4 8336 B15R1.793 CCOC(=O)CNc1ccc(cc1)SC 62a_200000220479_200000210301 [0,2,0,0,0,0|1,0,1]=4 8337 B15R1.793 CCOC(=O)CNc1ccc(cc1)S[13CH3] 62a_200000220479_200025704644 [0,2,0,0,0,0|1,0,1]=4 8338 B15R1.793 CCOC(=O)CNc1ccc(cc1)S[13CH3] 62a_200025704644_200000220479 [0,2,0,0,0,0|1,0,1]=4 8339 B15R1.793 CCOC(=O)COc1ccc(cc1)C#N 34a_100000210344_100000188475 [0,2,0,0,0,0|1,0,1]=4 8340 B15R1.793 CCOC(=O)COc1ccc(cc1)C#N 7a_100000210344_100000188475 [0,2,0,0,0,0|1,0,1]=4 8341 B15R1.793 CCOC(=O)COc1ccc(cc1)CC 34a_100000211359_100000188475 [0,2,0,0,0,0|1,0,1]=4 8342 B15R1.793 CCOC(=O)COc1ccc(cc1)CC 7a_100000211359_100000188475 [0,2,0,0,0,0|1,0,1]=4 8343 B15R1.793 CCOC(=O)COc1ccc(cc1)CN 34a_100000185549_100000188475 [0,2,0,0,0,0|1,0,1]=4 8344 B15R1.793 CCOC(=O)COc1ccc(cc1)CO 34a_100000211755_100000188475 [0,2,0,0,0,0|1,0,1]=4 8345 B15R1.793 CCOC(=O)COc1ccc(cc1)NC 34a_100000182112_100000188475 [0,2,0,0,0,0|1,0,1]=4 8346 B15R1.793 CCOC(=O)COc1ccc(cc1)OC 34a_100000210503_100000188475 [0,2,0,0,0,0|1,0,1]=4 8347 B15R1.793 CCOC(=O)COc1ccc(cc1)SC 34a_100000211864_100000188475 [0,2,0,0,0,0|1,0,1]=4 8348 B15R1.793 CCOC(=O)COc1ccc(cc1)SC 62a_100000170664_200000210301 [0,2,0,0,0,0|1,0,1]=4 8349 B15R1.793 CCOC(=O)COc1ccc(cc1)SC 62a_200000210301_100000170664 [0,2,0,0,0,0|1,0,1]=4 8350 B15R1.793 CCOC(=O)COc1ccc(cc1)S[13CH3] 62a_100000170664_200025704644 [0,2,0,0,0,0|1,0,1]=4 8351 B15R1.793 CCOC(=O)COc1ccc(cc1)S[13CH3] 62a_200025704644_100000170664 [0,2,0,0,0,0|1,0,1]=4 8352 B15R1.793 CCOC(=O)CSc1ccc(cc1)C#N 62a_100000188475_100000184291 [0,2,0,0,0,0|1,0,1]=4 8353 B15R1.793 CCOC(=O)CSc1ccc(cc1)C=O 62a_100000188475_100000188517 [0,2,0,0,0,0|1,0,1]=4 8354 B15R1.793 CCOC(=O)CSc1ccc(cc1)C=O 62a_100000188517_100000188475 [0,2,0,0,0,0|1,0,1]=4 8355 B15R1.793 CCOC(=O)CSc1ccc(cc1)CC 62a_100000188475_100011215824 [0,2,0,0,0,0|1,0,1]=4 8356 B15R1.793 CCOC(=O)CSc1ccc(cc1)CC 62a_100011215824_100000188475 [0,2,0,0,0,0|1,0,1]=4 8357 B15R1.793 CCOC(=O)CSc1ccc(cc1)CF 62a_100000188475_100010268989 [0,2,0,0,0,0|1,0,1]=4 8358 B15R1.793 CCOC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000188475 [0,2,0,0,0,0|1,0,1]=4 8359 B15R1.793 CCOC(=O)CSc1ccc(cc1)CN 62a_100000188475_100016989417 [0,2,0,0,0,0|1,0,1]=4 8360 B15R1.793 CCOC(=O)CSc1ccc(cc1)CN 62a_100016989417_100000188475 [0,2,0,0,0,0|1,0,1]=4 8361 B15R1.793 CCOC(=O)CSc1ccc(cc1)CO 62a_100000188475_100000690907 [0,2,0,0,0,0|1,0,1]=4 8362 B15R1.793 CCOC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000188475 [0,2,0,0,0,0|1,0,1]=4 8363 B15R1.793 CCOC(=O)CSc1ccc(cc1)NC 62a_100000188475_100000743151 [0,2,0,0,0,0|1,0,1]=4 8364 B15R1.793 CCOC(=O)CSc1ccc(cc1)NC 62a_100000743151_100000188475 [0,2,0,0,0,0|1,0,1]=4 8365 B15R1.793 CCOC(=O)CSc1ccc(cc1)NN 62a_100000188475_100016988836 [0,2,0,0,0,0|1,0,1]=4 8366 B15R1.793 CCOC(=O)CSc1ccc(cc1)NN 62a_100016988836_100000188475 [0,2,0,0,0,0|1,0,1]=4 8367 B15R1.793 CCOC(=O)CSc1ccc(cc1)OC 62a_100000188475_100000171711 [0,2,0,0,0,0|1,0,1]=4 8368 B15R1.793 CCOC(=O)CSc1ccc(cc1)SC 62a_100000188475_100011263217 [0,2,0,0,0,0|1,0,1]=4 8369 B15R1.793 CCOC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000188475 [0,2,0,0,0,0|1,0,1]=4 8370 B15R1.793 CCc1ccc(cc1)C=CC(=O)CCF 1458a_100000187855_100011217306 [0,2,0,0,0,0|2,0,0]=4 8371 B15R1.793 CCc1ccc(cc1)C=CC(=O)CCO 1458a_100000187855_100000211926 [0,2,0,0,0,0|2,0,0]=4 8372 B15R1.793 CCc1ccc(cc1)C=CC(=O)NNC 22a_100016993582_100000187855 [0,2,0,0,0,0|2,0,0]=4 8373 B15R1.793 CNNC(=O)C=Cc1ccc(cc1)C#N 22a_100016993582_100000185084 [0,2,0,0,0,0|2,0,0]=4 8374 B15R1.793 CNNC(=O)C=Cc1ccc(cc1)OC 22a_100016993582_100000184205 [0,2,0,0,0,0|2,0,0]=4 8375 B15R1.793 CNNC(=O)C=Cc1ccc(cc1)SC 22a_100016993582_100102526083 [0,2,0,0,0,0|2,0,0]=4 8376 B15R1.793 COc1ccc(cc1)C=CC(=O)CCF 1458a_100000184205_100011217306 [0,2,0,0,0,0|2,0,0]=4 8377 B15R1.793 COc1ccc(cc1)C=CC(=O)CCO 1458a_100000184205_100000211926 [0,2,0,0,0,0|2,0,0]=4 8378 B15R1.793 CSc1ccc(cc1)C=CC(=O)CCF 1458a_100102526083_100011217306 [0,2,0,0,0,0|2,0,0]=4 8379 B15R1.793 CSc1ccc(cc1)C=CC(=O)CCO 1458a_100102526083_100000211926 [0,2,0,0,0,0|2,0,0]=4 8380 B15R1.793 N#Cc1ccc(cc1)C=CC(=O)CCF 1458a_100000185084_100011217306 [0,2,0,0,0,0|2,0,0]=4 8381 B15R1.793 N#Cc1ccc(cc1)C=CC(=O)CCO 1458a_100000185084_100000211926 [0,2,0,0,0,0|2,0,0]=4 8382 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000748629 [0,2,0,0,0,0|1,0,1]=4 8383 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000748629 [0,2,0,0,0,0|1,0,1]=4 8384 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000748629 [0,2,0,0,0,0|1,0,1]=4 8385 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000748629 [0,2,0,0,0,0|1,0,1]=4 8386 B15R1.870 C=C(C)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000748629 [0,2,0,0,0,0|1,0,1]=4 8387 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210624 [0,2,0,0,0,0|1,0,0]=3 8388 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210624 [0,2,0,0,0,0|1,0,0]=3 8389 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210624 [0,2,0,0,0,0|1,0,0]=3 8390 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210624 [0,2,0,0,0,0|1,0,0]=3 8391 B15R1.870 CC(C)CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210624 [0,2,0,0,0,0|2,0,0]=4 8392 B15R1.870 CC(C)CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210624 [0,2,0,0,0,0|2,0,0]=4 8393 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br 11a_100138425928_100016267368 [0,2,0,0,0,0|1,0,0]=3 8394 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100138425928_100016267368 [0,2,0,0,0,0|1,0,0]=3 8395 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100138425928_100000184863 [0,2,0,0,0,0|1,0,0]=3 8396 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100138425928_100000184863 [0,2,0,0,0,0|1,0,0]=3 8397 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100138425928_100000184863 [0,2,0,0,0,0|1,0,0]=3 8398 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F 11a_100138425928_100000182136 [0,2,0,0,0,0|1,0,0]=3 8399 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F 1626a_100138425928_100000182136 [0,2,0,0,0,0|1,0,0]=3 8400 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F 240690a_100138425928_100000182136 [0,2,0,0,0,0|1,0,0]=3 8401 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)I 11a_100138425928_100102526154 [0,2,0,0,0,0|1,0,0]=3 8402 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)I 1626a_100138425928_100102526154 [0,2,0,0,0,0|1,0,0]=3 8403 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)I 240690a_100138425928_100102526154 [0,2,0,0,0,0|1,0,0]=3 8404 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)O 240690a_100138425928_100016269017 [0,2,0,0,0,0|1,0,0]=3 8405 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cn1)F 11a_100138425928_100020630499 [0,2,0,0,0,0|2,0,0]=4 8406 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cn1)F 1626a_100138425928_100020630499 [0,2,0,0,0,0|2,0,0]=4 8407 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cn1)F 240690a_100138425928_100020630499 [0,2,0,0,0,0|2,0,0]=4 8408 B15R1.870 CC(C)NC(=O)C=Cc1ccc(nc1)Br 11a_100138425928_100020588214 [0,2,0,0,0,0|2,0,0]=4 8409 B15R1.870 CC(C)NC(=O)C=Cc1ccc(nc1)Br 1626a_100138425928_100020588214 [0,2,0,0,0,0|2,0,0]=4 8410 B15R1.870 CC(C)NC(=O)C=Cc1ccc(nc1)Br 240690a_100138425928_100020588214 [0,2,0,0,0,0|2,0,0]=4 8411 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100011215430 [0,2,0,0,0,0|1,0,1]=4 8412 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Br 34a_100000210018_100011215430 [0,2,0,0,0,0|1,0,1]=4 8413 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100011215430 [0,2,0,0,0,0|1,0,1]=4 8414 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100011215430 [0,2,0,0,0,0|1,0,1]=4 8415 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)F 34a_100000185862_100011215430 [0,2,0,0,0,0|1,0,1]=4 8416 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)I 34a_100000185761_100011215430 [0,2,0,0,0,0|1,0,1]=4 8417 B15R1.870 CC(C)OC(=O)CNc1ccc(cc1)O 34a_100000185829_100011215430 [0,2,0,0,0,0|1,0,1]=4 8418 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Br 34a_100000185759_100011215430 [0,2,0,0,0,0|1,0,1]=4 8419 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Br 7a_100000185759_100011215430 [0,2,0,0,0,0|1,0,1]=4 8420 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Cl 34a_100000210216_100011215430 [0,2,0,0,0,0|1,0,1]=4 8421 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)Cl 7a_100000210216_100011215430 [0,2,0,0,0,0|1,0,1]=4 8422 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)F 34a_100000210339_100011215430 [0,2,0,0,0,0|1,0,1]=4 8423 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)I 34a_100000212066_100011215430 [0,2,0,0,0,0|1,0,1]=4 8424 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)I 7a_100000212066_100011215430 [0,2,0,0,0,0|1,0,1]=4 8425 B15R1.870 CC(C)OC(=O)COc1ccc(cc1)N 34a_100000185829_100011215430 [0,2,0,0,0,0|1,0,1]=4 8426 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Br 62a_100000752885_100011215430 [0,2,0,0,0,0|1,0,1]=4 8427 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Br 62a_100011215430_100000752885 [0,2,0,0,0,0|1,0,1]=4 8428 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100011215430 [0,2,0,0,0,0|1,0,1]=4 8429 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)Cl 62a_100011215430_100000755918 [0,2,0,0,0,0|1,0,1]=4 8430 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)F 62a_100000211213_100011215430 [0,2,0,0,0,0|1,0,1]=4 8431 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)F 62a_100011215430_100000211213 [0,2,0,0,0,0|1,0,1]=4 8432 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)N 62a_100000185761_100011215430 [0,2,0,0,0,0|1,0,1]=4 8433 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)N 62a_100011215430_100000185761 [0,2,0,0,0,0|1,0,1]=4 8434 B15R1.870 CC(C)OC(=O)CSc1ccc(cc1)O 62a_100011215430_100000185759 [0,2,0,0,0,0|1,0,1]=4 8435 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011218427 [0,2,0,0,0,0|1,0,0]=3 8436 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011218427 [0,2,0,0,0,0|1,0,0]=3 8437 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011218427 [0,2,0,0,0,0|1,0,0]=3 8438 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011218427 [0,2,0,0,0,0|1,0,0]=3 8439 B15R1.870 CC(O)CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011218427 [0,2,0,0,0,0|2,0,0]=4 8440 B15R1.870 CC(O)CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011218427 [0,2,0,0,0,0|2,0,0]=4 8441 B15R1.870 Cc1ccc(cc1)C=CC(=O)CC(C)C 1458a_100000716854_100000210624 [0,2,0,0,0,0|1,0,0]=3 8442 B15R1.870 Cc1ccc(cc1)C=CC(=O)CC(C)O 1458a_100000716854_100011218427 [0,2,0,0,0,0|1,0,0]=3 8443 B15R1.870 Cc1ccc(cc1)C=CC(=O)CC(F)F 1458a_100000716854_100011934356 [0,2,0,0,0,0|2,0,0]=4 8444 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C 11a_100138425928_100000716854 [0,2,0,0,0,0|1,0,0]=3 8445 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C 1626a_100138425928_100000716854 [0,2,0,0,0,0|1,0,0]=3 8446 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C 240690a_100138425928_100000716854 [0,2,0,0,0,0|1,0,0]=3 8447 B15R1.870 Cc1ccc(cc1)NCC(=O)OC(C)C 34a_100000124888_100011215430 [0,2,0,0,0,0|1,0,1]=4 8448 B15R1.870 Cc1ccc(cc1)OCC(=O)OC(C)C 34a_100000210336_100011215430 [0,2,0,0,0,0|1,0,1]=4 8449 B15R1.870 Cc1ccc(cc1)OCC(=O)OC(C)C 7a_100000210336_100011215430 [0,2,0,0,0,0|1,0,1]=4 8450 B15R1.870 Cc1ccc(cc1)SCC(=O)OC(C)C 62a_100000186775_100011215430 [0,2,0,0,0,0|1,0,1]=4 8451 B15R1.870 Cc1ccc(cc1)SCC(=O)OC(C)C 62a_100011215430_100000186775 [0,2,0,0,0,0|1,0,1]=4 8452 B15R1.870 O=C(C=Cc1ccc(cc1)Br)CC(F)F 1458a_100016267368_100011934356 [0,2,0,0,0,0|2,0,0]=4 8453 B15R1.870 O=C(C=Cc1ccc(cc1)Cl)CC(F)F 1458a_100000184863_100011934356 [0,2,0,0,0,0|2,0,0]=4 8454 B15R1.870 O=C(C=Cc1ccc(cc1)F)CC(F)F 1458a_100000182136_100011934356 [0,2,0,0,0,0|2,0,0]=4 8455 B15R1.870 O=C(C=Cc1ccc(cc1)I)CC(F)F 1458a_100102526154_100011934356 [0,2,0,0,0,0|2,0,0]=4 8456 B15R1.1001 CCC(C)C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000758301 [0,2,0,0,0,0|1,0,0]=3 8457 B15R1.1001 CCC(C)C(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000758301 [0,2,0,0,0,0|1,0,0]=3 8458 B15R1.1001 CCC(C)C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000758301 [0,2,0,0,0,0|1,0,0]=3 8459 B15R1.1001 CCC(C)C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000758301 [0,2,0,0,0,0|1,0,0]=3 8460 B15R1.1001 CCC(C)C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000758301 [0,2,0,0,0,0|1,0,0]=3 8461 B15R1.1001 CCC(C)C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000758301 [0,2,0,0,0,0|2,0,0]=4 8462 B15R1.1001 CCC(C)C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000758301 [0,2,0,0,0,0|2,0,0]=4 8463 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000225621_100016267368 [0,2,0,0,0,0|1,0,0]=3 8464 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000225621_100016267368 [0,2,0,0,0,0|1,0,0]=3 8465 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000225621_100000716854 [0,2,0,0,0,0|1,0,0]=3 8466 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000225621_100000716854 [0,2,0,0,0,0|1,0,0]=3 8467 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)C 240690a_100000225621_100000716854 [0,2,0,0,0,0|1,0,0]=3 8468 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000225621_100000184863 [0,2,0,0,0,0|1,0,0]=3 8469 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000225621_100000184863 [0,2,0,0,0,0|1,0,0]=3 8470 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000225621_100000184863 [0,2,0,0,0,0|1,0,0]=3 8471 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000225621_100000182136 [0,2,0,0,0,0|1,0,0]=3 8472 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000225621_100000182136 [0,2,0,0,0,0|1,0,0]=3 8473 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000225621_100000182136 [0,2,0,0,0,0|1,0,0]=3 8474 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000225621_100102526154 [0,2,0,0,0,0|1,0,0]=3 8475 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000225621_100102526154 [0,2,0,0,0,0|1,0,0]=3 8476 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000225621_100102526154 [0,2,0,0,0,0|1,0,0]=3 8477 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000225621_100016269017 [0,2,0,0,0,0|1,0,0]=3 8478 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cn1)F 11a_100000225621_100020630499 [0,2,0,0,0,0|2,0,0]=4 8479 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cn1)F 1626a_100000225621_100020630499 [0,2,0,0,0,0|2,0,0]=4 8480 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(cn1)F 240690a_100000225621_100020630499 [0,2,0,0,0,0|2,0,0]=4 8481 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(nc1)Br 11a_100000225621_100020588214 [0,2,0,0,0,0|2,0,0]=4 8482 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(nc1)Br 1626a_100000225621_100020588214 [0,2,0,0,0,0|2,0,0]=4 8483 B15R1.1001 CCN(C)C(=O)C=Cc1ccc(nc1)Br 240690a_100000225621_100020588214 [0,2,0,0,0,0|2,0,0]=4 8484 B15R1.1001 COC(=O)C(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016988637 [0,2,0,0,0,0|2,0,0]=4 8485 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000748629 [0,2,0,0,0,0|1,0,1]=4 8486 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000748629 [0,2,0,0,0,0|1,0,1]=4 8487 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000748629 [0,2,0,0,0,0|1,0,1]=4 8488 B15R1.130 C=C(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000748629 [0,2,0,0,0,0|1,0,1]=4 8489 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210624 [0,2,0,0,0,0|1,0,0]=3 8490 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210624 [0,2,0,0,0,0|1,0,0]=3 8491 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210624 [0,2,0,0,0,0|1,0,0]=3 8492 B15R1.130 CC(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210624 [0,2,0,0,0,0|1,0,0]=3 8493 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br 11a_100138425928_100000719032 [0,2,0,0,0,0|1,0,0]=3 8494 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br 1626a_100138425928_100000719032 [0,2,0,0,0,0|1,0,0]=3 8495 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br 240690a_100138425928_100000719032 [0,2,0,0,0,0|1,0,0]=3 8496 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Cl 11a_100138425928_100000720304 [0,2,0,0,0,0|1,0,0]=3 8497 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Cl 1626a_100138425928_100000720304 [0,2,0,0,0,0|1,0,0]=3 8498 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Cl 240690a_100138425928_100000720304 [0,2,0,0,0,0|1,0,0]=3 8499 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1F 11a_100138425928_100016256065 [0,2,0,0,0,0|1,0,0]=3 8500 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1F 1626a_100138425928_100016256065 [0,2,0,0,0,0|1,0,0]=3 8501 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1F 240690a_100138425928_100016256065 [0,2,0,0,0,0|1,0,0]=3 8502 B15R1.130 CC(C)OC(=O)CNc1ccccc1Br 34a_100000210017_100011215430 [0,2,0,0,0,0|1,0,1]=4 8503 B15R1.130 CC(C)OC(=O)CNc1ccccc1Cl 34a_100000185783_100011215430 [0,2,0,0,0,0|1,0,1]=4 8504 B15R1.130 CC(C)OC(=O)CNc1ccccc1F 34a_100000210422_100011215430 [0,2,0,0,0,0|1,0,1]=4 8505 B15R1.130 CC(C)OC(=O)CNc1ccccc1I 34a_100000210053_100011215430 [0,2,0,0,0,0|1,0,1]=4 8506 B15R1.130 CC(C)OC(=O)CNc1ccccc1O 34a_100000185747_100011215430 [0,2,0,0,0,0|1,0,1]=4 8507 B15R1.130 CC(C)OC(=O)COc1ccccc1Br 34a_100000181306_100011215430 [0,2,0,0,0,0|1,0,1]=4 8508 B15R1.130 CC(C)OC(=O)COc1ccccc1Br 7a_100000181306_100011215430 [0,2,0,0,0,0|1,0,1]=4 8509 B15R1.130 CC(C)OC(=O)COc1ccccc1Cl 34a_100000210172_100011215430 [0,2,0,0,0,0|1,0,1]=4 8510 B15R1.130 CC(C)OC(=O)COc1ccccc1Cl 7a_100000210172_100011215430 [0,2,0,0,0,0|1,0,1]=4 8511 B15R1.130 CC(C)OC(=O)COc1ccccc1F 34a_100000210171_100011215430 [0,2,0,0,0,0|1,0,1]=4 8512 B15R1.130 CC(C)OC(=O)COc1ccccc1F 7a_100000210171_100011215430 [0,2,0,0,0,0|1,0,1]=4 8513 B15R1.130 CC(C)OC(=O)COc1ccccc1I 34a_100000739446_100011215430 [0,2,0,0,0,0|1,0,1]=4 8514 B15R1.130 CC(C)OC(=O)COc1ccccc1I 7a_100000739446_100011215430 [0,2,0,0,0,0|1,0,1]=4 8515 B15R1.130 CC(C)OC(=O)COc1ccccc1N 34a_100000185747_100011215430 [0,2,0,0,0,0|1,0,1]=4 8516 B15R1.130 CC(C)OC(=O)COc1ccccc1N 7a_100000185747_100011215430 [0,2,0,0,0,0|1,0,1]=4 8517 B15R1.130 CC(C)OC(=O)CSc1ccccc1Br 62a_100000695589_100011215430 [0,2,0,0,0,0|1,0,1]=4 8518 B15R1.130 CC(C)OC(=O)CSc1ccccc1Br 62a_100011215430_100000695589 [0,2,0,0,0,0|1,0,1]=4 8519 B15R1.130 CC(C)OC(=O)CSc1ccccc1Cl 62a_100000764095_100011215430 [0,2,0,0,0,0|1,0,1]=4 8520 B15R1.130 CC(C)OC(=O)CSc1ccccc1Cl 62a_100011215430_100000764095 [0,2,0,0,0,0|1,0,1]=4 8521 B15R1.130 CC(C)OC(=O)CSc1ccccc1F 62a_100011215430_100011215700 [0,2,0,0,0,0|1,0,1]=4 8522 B15R1.130 CC(C)OC(=O)CSc1ccccc1F 62a_100011215700_100011215430 [0,2,0,0,0,0|1,0,1]=4 8523 B15R1.130 CC(C)OC(=O)CSc1ccccc1N 62a_100000210017_100011215430 [0,2,0,0,0,0|1,0,1]=4 8524 B15R1.130 CC(C)OC(=O)CSc1ccccc1N 62a_100011215430_100000210017 [0,2,0,0,0,0|1,0,1]=4 8525 B15R1.130 CC(C)OC(=O)CSc1ccccc1O 62a_100000739446_100011215430 [0,2,0,0,0,0|1,0,1]=4 8526 B15R1.130 CC(C)OC(=O)CSc1ccccc1O 62a_100011215430_100000739446 [0,2,0,0,0,0|1,0,1]=4 8527 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011218427 [0,2,0,0,0,0|1,0,0]=3 8528 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011218427 [0,2,0,0,0,0|1,0,0]=3 8529 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100011218427 [0,2,0,0,0,0|1,0,0]=3 8530 B15R1.130 CC(O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100011218427 [0,2,0,0,0,0|1,0,0]=3 8531 B15R1.130 Cc1ccccc1C=CC(=O)NC(C)C 1626a_100138425928_100016266485 [0,2,0,0,0,0|1,0,0]=3 8532 B15R1.130 Cc1ccccc1NCC(=O)OC(C)C 34a_100015192222_100011215430 [0,2,0,0,0,0|1,0,1]=4 8533 B15R1.130 Cc1ccccc1OCC(=O)OC(C)C 34a_100000210338_100011215430 [0,2,0,0,0,0|1,0,1]=4 8534 B15R1.130 Cc1ccccc1OCC(=O)OC(C)C 7a_100000210338_100011215430 [0,2,0,0,0,0|1,0,1]=4 8535 B15R1.130 Cc1ccccc1SCC(=O)OC(C)C 62a_100000210755_100011215430 [0,2,0,0,0,0|1,0,1]=4 8536 B15R1.130 Cc1ccccc1SCC(=O)OC(C)C 62a_100011215430_100000210755 [0,2,0,0,0,0|1,0,1]=4 8537 B15R1.130 O=C(C=Cc1ccccc1Br)CC(F)F 1458a_100000719032_100011934356 [0,2,0,0,0,0|2,0,0]=4 8538 B15R1.130 O=C(C=Cc1ccccc1Cl)CC(F)F 1458a_100000720304_100011934356 [0,2,0,0,0,0|2,0,0]=4 8539 B15R1.130 O=C(C=Cc1ccccc1F)CC(F)F 1458a_100016256065_100011934356 [0,2,0,0,0,0|2,0,0]=4 8540 B15R1.130 O=C(C=Cc1ccccc1O)CC(F)F 1458a_100016263591_100011934356 [0,2,0,0,0,0|2,0,0]=4 8541 B15R1.768 C#Cc1ccccc1NCC(=O)OCC 34a_100011470550_100000188475 [0,2,0,0,0,0|1,0,1]=4 8542 B15R1.768 C#Cc1ccccc1OCC(=O)OCC 34a_200011470546_100000188475 [0,2,0,0,0,0|1,0,1]=4 8543 B15R1.768 C#Cc1ccccc1OCC(=O)OCC 7a_200011470546_100000188475 [0,2,0,0,0,0|1,0,1]=4 8544 B15R1.768 C=Cc1ccccc1/C=C/C(=O)OCC 271570a_100011290941_100016317929 [0,2,0,0,0,0|0,0,0]=2 8545 B15R1.768 C=Cc1ccccc1CCC(=O)OCC 271570a_100011290941_100009815309 [0,2,0,0,0,0|0,0,2]=4 8546 B15R1.768 C=Cc1ccccc1NCC(=O)OCC 34a_100012022501_100000188475 [0,2,0,0,0,0|1,0,1]=4 8547 B15R1.768 C=Cc1ccccc1OCC(=O)OCC 271570a_100011290941_100000174061 [0,2,0,0,0,0|1,0,1]=4 8548 B15R1.768 C=Cc1ccccc1SCC(=O)OCC 62a_100000188475_100011218376 [0,2,0,0,0,0|1,0,1]=4 8549 B15R1.768 C=Cc1ccccc1SCC(=O)OCC 62a_100011218376_100000188475 [0,2,0,0,0,0|1,0,1]=4 8550 B15R1.768 C=Cc1ncccc1/C=C/C(=O)OCC 271570a_100011290941_200020681690 [0,2,0,0,0,0|1,0,0]=3 8551 B15R1.768 CCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210303 [0,2,0,0,0,0|1,0,0]=3 8552 B15R1.768 CCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210303 [0,2,0,0,0,0|1,0,0]=3 8553 B15R1.768 CCCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210303 [0,2,0,0,0,0|2,0,0]=4 8554 B15R1.768 CCNC(=O)C=Cc1ccccc1C#N 11a_100015525214_100016294624 [0,2,0,0,0,0|1,0,0]=3 8555 B15R1.768 CCNC(=O)C=Cc1ccccc1OC 11a_100015525214_100000182468 [0,2,0,0,0,0|1,0,0]=3 8556 B15R1.768 CCNC(=O)C=Cc1cccnc1OC 11a_100015525214_100102601226 [0,2,0,0,0,0|2,0,0]=4 8557 B15R1.768 CCOC(=O)/C=C/c1ccccc1SC 62a_100016317929_200000210301 [0,2,0,0,0,0|0,0,0]=2 8558 B15R1.768 CCOC(=O)/C=C/c1ccccc1SC 62a_200000210301_100016317929 [0,2,0,0,0,0|0,0,0]=2 8559 B15R1.768 CCOC(=O)/C=C/c1ccccc1S[13CH3] 62a_100016317929_200025704644 [0,2,0,0,0,0|0,0,0]=2 8560 B15R1.768 CCOC(=O)/C=C/c1ccccc1S[13CH3] 62a_200025704644_100016317929 [0,2,0,0,0,0|0,0,0]=2 8561 B15R1.768 CCOC(=O)/C=C/c1cccnc1NC 27a_100102657272_200020681690 [0,2,0,0,0,0|1,0,0]=3 8562 B15R1.768 CCOC(=O)/C=C/c1cccnc1SC 62a_200000210301_200020681690 [0,2,0,0,0,0|1,0,0]=3 8563 B15R1.768 CCOC(=O)/C=C/c1cccnc1S[13CH3] 62a_200025704644_200020681690 [0,2,0,0,0,0|1,0,0]=3 8564 B15R1.768 CCOC(=O)C=Cc1ccccc1C#N 271570a_100010199719_100000188569 [0,2,0,0,0,0|0,0,0]=2 8565 B15R1.768 CCOC(=O)C=Cc1ccccc1C=O 271570a_100010199719_100000211189 [0,2,0,0,0,0|0,0,0]=2 8566 B15R1.768 CCOC(=O)C=Cc1ccccc1CC 271570a_100010199719_100011215823 [0,2,0,0,0,0|0,0,0]=2 8567 B15R1.768 CCOC(=O)C=Cc1ccccc1CN 271570a_100010199719_100000689332 [0,2,0,0,0,0|0,0,0]=2 8568 B15R1.768 CCOC(=O)C=Cc1ccccc1CO 271570a_100010199719_100000187465 [0,2,0,0,0,0|0,0,0]=2 8569 B15R1.768 CCOC(=O)C=Cc1ccccc1NC 271570a_100010199719_100020606079 [0,2,0,0,0,0|0,0,0]=2 8570 B15R1.768 CCOC(=O)C=Cc1ccccc1NN 271570a_100010199719_100000241748 [0,2,0,0,0,0|0,0,0]=2 8571 B15R1.768 CCOC(=O)C=Cc1ccccc1OC 271570a_100010199719_100000174000 [0,2,0,0,0,0|0,0,0]=2 8572 B15R1.768 CCOC(=O)C=Cc1ccccc1SC 271570a_100010199719_100011217816 [0,2,0,0,0,0|0,0,0]=2 8573 B15R1.768 CCOC(=O)C=Cc1cccnc1C#N 271570a_100010199719_100000685805 [0,2,0,0,0,0|1,0,0]=3 8574 B15R1.768 CCOC(=O)C=Cc1cccnc1C=O 271570a_100010199719_100011934733 [0,2,0,0,0,0|1,0,0]=3 8575 B15R1.768 CCOC(=O)C=Cc1cccnc1CC 271570a_100010199719_100009877225 [0,2,0,0,0,0|1,0,0]=3 8576 B15R1.768 CCOC(=O)C=Cc1cccnc1CN 271570a_100010199719_100020591323 [0,2,0,0,0,0|1,0,0]=3 8577 B15R1.768 CCOC(=O)C=Cc1cccnc1CO 271570a_100010199719_100011996772 [0,2,0,0,0,0|1,0,0]=3 8578 B15R1.768 CCOC(=O)C=Cc1cccnc1NC 271570a_100010199719_100000700899 [0,2,0,0,0,0|1,0,0]=3 8579 B15R1.768 CCOC(=O)C=Cc1cccnc1NN 271570a_100010199719_100011464834 [0,2,0,0,0,0|1,0,0]=3 8580 B15R1.768 CCOC(=O)C=Cc1cccnc1OC 271570a_100010199719_100000047025 [0,2,0,0,0,0|1,0,0]=3 8581 B15R1.768 CCOC(=O)C=Cc1cccnc1SC 271570a_100010199719_100011465278 [0,2,0,0,0,0|1,0,0]=3 8582 B15R1.768 CCOC(=O)C=Cc1ccncc1C#N 271570a_100010199719_100000687039 [0,2,0,0,0,0|1,0,0]=3 8583 B15R1.768 CCOC(=O)C=Cc1ccncc1C=O 271570a_100010199719_100000050567 [0,2,0,0,0,0|1,0,0]=3 8584 B15R1.768 CCOC(=O)C=Cc1ccncc1CC 271570a_100010199719_100025704421 [0,2,0,0,0,0|1,0,0]=3 8585 B15R1.768 CCOC(=O)C=Cc1ccncc1CO 271570a_100010199719_100000117392 [0,2,0,0,0,0|1,0,0]=3 8586 B15R1.768 CCOC(=O)C=Cc1ccncc1OC 271570a_100010199719_100016988167 [0,2,0,0,0,0|1,0,0]=3 8587 B15R1.768 CCOC(=O)C=Cc1cnccc1C#N 271570a_100010199719_100000684818 [0,2,0,0,0,0|1,0,0]=3 8588 B15R1.768 CCOC(=O)C=Cc1cnccc1C=O 271570a_100010199719_100011934409 [0,2,0,0,0,0|1,0,0]=3 8589 B15R1.768 CCOC(=O)C=Cc1cnccc1CC 271570a_100010199719_100009819861 [0,2,0,0,0,0|1,0,0]=3 8590 B15R1.768 CCOC(=O)C=Cc1cnccc1CN 271570a_100010199719_100020640021 [0,2,0,0,0,0|1,0,0]=3 8591 B15R1.768 CCOC(=O)C=Cc1cnccc1CO 271570a_100010199719_100009873359 [0,2,0,0,0,0|1,0,0]=3 8592 B15R1.768 CCOC(=O)C=Cc1cnccc1NC 271570a_100010199719_100010069531 [0,2,0,0,0,0|1,0,0]=3 8593 B15R1.768 CCOC(=O)C=Cc1cnccc1NN 271570a_100010199719_100013404636 [0,2,0,0,0,0|1,0,0]=3 8594 B15R1.768 CCOC(=O)C=Cc1cnccc1OC 271570a_100010199719_100011997281 [0,2,0,0,0,0|1,0,0]=3 8595 B15R1.768 CCOC(=O)C=Cc1cncnc1C#N 271570a_100010199719_100012001395 [0,2,0,0,0,0|2,0,0]=4 8596 B15R1.768 CCOC(=O)C=Cc1cncnc1CC 271570a_100010199719_100009816992 [0,2,0,0,0,0|2,0,0]=4 8597 B15R1.768 CCOC(=O)C=Cc1cncnc1NC 271570a_100010199719_200012180720 [0,2,0,0,0,0|2,0,0]=4 8598 B15R1.768 CCOC(=O)C=Cc1cncnc1OC 271570a_100010199719_100000719902 [0,2,0,0,0,0|2,0,0]=4 8599 B15R1.768 CCOC(=O)C=Cc1ncccc1C#N 271570a_100010199719_100000211984 [0,2,0,0,0,0|1,0,0]=3 8600 B15R1.768 CCOC(=O)C=Cc1ncccc1C=O 271570a_100010199719_100009816751 [0,2,0,0,0,0|1,0,0]=3 8601 B15R1.768 CCOC(=O)C=Cc1ncccc1CN 271570a_100010199719_100015189234 [0,2,0,0,0,0|1,0,0]=3 8602 B15R1.768 CCOC(=O)C=Cc1ncccc1CO 271570a_100010199719_100000748726 [0,2,0,0,0,0|1,0,0]=3 8603 B15R1.768 CCOC(=O)C=Cc1ncccc1NC 271570a_100010199719_200011806188 [0,2,0,0,0,0|1,0,0]=3 8604 B15R1.768 CCOC(=O)C=Cc1ncccc1OC 271570a_100010199719_100000690851 [0,2,0,0,0,0|1,0,0]=3 8605 B15R1.768 CCOC(=O)C=Cc1nccnc1C#N 271570a_100010199719_100000040484 [0,2,0,0,0,0|2,0,0]=4 8606 B15R1.768 CCOC(=O)C=Cc1nccnc1CC 271570a_100010199719_100011995844 [0,2,0,0,0,0|2,0,0]=4 8607 B15R1.768 CCOC(=O)C=Cc1nccnc1CN 271570a_100010199719_100000729963 [0,2,0,0,0,0|2,0,0]=4 8608 B15R1.768 CCOC(=O)C=Cc1nccnc1CO 271570a_100010199719_100000057004 [0,2,0,0,0,0|2,0,0]=4 8609 B15R1.768 CCOC(=O)C=Cc1nccnc1NC 271570a_100010199719_100011529439 [0,2,0,0,0,0|2,0,0]=4 8610 B15R1.768 CCOC(=O)C=Cc1nccnc1NN 271570a_100010199719_100000755098 [0,2,0,0,0,0|2,0,0]=4 8611 B15R1.768 CCOC(=O)C=Cc1nccnc1OC 271570a_100010199719_100000749998 [0,2,0,0,0,0|2,0,0]=4 8612 B15R1.768 CCOC(=O)C=Cc1ncncc1C#N 271570a_100010199719_100000687955 [0,2,0,0,0,0|2,0,0]=4 8613 B15R1.768 CCOC(=O)C=Cc1ncncc1CC 271570a_100010199719_200000100055 [0,2,0,0,0,0|2,0,0]=4 8614 B15R1.768 CCOC(=O)C=Cc1ncncc1OC 271570a_100010199719_100012001275 [0,2,0,0,0,0|2,0,0]=4 8615 B15R1.768 CCOC(=O)C=Cc1nnccc1C#N 271570a_100010199719_100000100742 [0,2,0,0,0,0|2,0,0]=4 8616 B15R1.768 CCOC(=O)CCc1ccccc1SC 62a_100009815309_200000210301 [0,2,0,0,0,0|0,0,2]=4 8617 B15R1.768 CCOC(=O)CCc1ccccc1SC 62a_200000210301_100009815309 [0,2,0,0,0,0|0,0,2]=4 8618 B15R1.768 CCOC(=O)CCc1ccccc1S[13CH3] 62a_100009815309_200025704644 [0,2,0,0,0,0|0,0,2]=4 8619 B15R1.768 CCOC(=O)CCc1ccccc1S[13CH3] 62a_200025704644_100009815309 [0,2,0,0,0,0|0,0,2]=4 8620 B15R1.768 CCOC(=O)CNc1ccccc1C#N 34a_100000211148_100000188475 [0,2,0,0,0,0|1,0,1]=4 8621 B15R1.768 CCOC(=O)CNc1ccccc1CC 2230a_100000212081_100000188475 [0,2,0,0,0,0|1,0,1]=4 8622 B15R1.768 CCOC(=O)CNc1ccccc1CC 34a_100000212081_100000188475 [0,2,0,0,0,0|1,0,1]=4 8623 B15R1.768 CCOC(=O)CNc1ccccc1CC 7a_100000212081_100000188475 [0,2,0,0,0,0|1,0,1]=4 8624 B15R1.768 CCOC(=O)CNc1ccccc1CO 34a_100000212039_100000188475 [0,2,0,0,0,0|1,0,1]=4 8625 B15R1.768 CCOC(=O)CNc1ccccc1OC 34a_100000210025_100000188475 [0,2,0,0,0,0|1,0,1]=4 8626 B15R1.768 CCOC(=O)CNc1ccccc1SC 34a_100000211160_100000188475 [0,2,0,0,0,0|1,0,1]=4 8627 B15R1.768 CCOC(=O)COc1ccccc1C#N 34a_100000211048_100000188475 [0,2,0,0,0,0|1,0,1]=4 8628 B15R1.768 CCOC(=O)COc1ccccc1C#N 7a_100000211048_100000188475 [0,2,0,0,0,0|1,0,1]=4 8629 B15R1.768 CCOC(=O)COc1ccccc1CC 34a_100000210936_100000188475 [0,2,0,0,0,0|1,0,1]=4 8630 B15R1.768 CCOC(=O)COc1ccccc1CC 7a_100000210936_100000188475 [0,2,0,0,0,0|1,0,1]=4 8631 B15R1.768 CCOC(=O)COc1ccccc1CN 34a_100000185550_100000188475 [0,2,0,0,0,0|1,0,1]=4 8632 B15R1.768 CCOC(=O)COc1ccccc1CO 34a_100011216872_100000188475 [0,2,0,0,0,0|1,0,1]=4 8633 B15R1.768 CCOC(=O)COc1ccccc1NC 34a_100000033821_100000188475 [0,2,0,0,0,0|1,0,1]=4 8634 B15R1.768 CCOC(=O)COc1ccccc1OC 34a_100000210385_100000188475 [0,2,0,0,0,0|1,0,1]=4 8635 B15R1.768 CCOC(=O)COc1ccccc1OC 7a_100000182178_200000210301 [0,2,0,0,0,0|1,0,1]=4 8636 B15R1.768 CCOC(=O)COc1ccccc1O[13CH3] 7a_100000182178_200025704644 [0,2,0,0,0,0|1,0,1]=4 8637 B15R1.768 CCOC(=O)COc1ccccc1SC 34a_100011216402_100000188475 [0,2,0,0,0,0|1,0,1]=4 8638 B15R1.768 CCOC(=O)COc1ccccc1SC 62a_100000174061_200000210301 [0,2,0,0,0,0|1,0,1]=4 8639 B15R1.768 CCOC(=O)COc1ccccc1SC 62a_200000210301_100000174061 [0,2,0,0,0,0|1,0,1]=4 8640 B15R1.768 CCOC(=O)COc1ccccc1S[13CH3] 62a_100000174061_200025704644 [0,2,0,0,0,0|1,0,1]=4 8641 B15R1.768 CCOC(=O)COc1ccccc1S[13CH3] 62a_200025704644_100000174061 [0,2,0,0,0,0|1,0,1]=4 8642 B15R1.768 CCOC(=O)CSc1ccccc1C#N 62a_100000188475_100000188569 [0,2,0,0,0,0|1,0,1]=4 8643 B15R1.768 CCOC(=O)CSc1ccccc1C=O 62a_100000188475_100000210073 [0,2,0,0,0,0|1,0,1]=4 8644 B15R1.768 CCOC(=O)CSc1ccccc1C=O 62a_100000210073_100000188475 [0,2,0,0,0,0|1,0,1]=4 8645 B15R1.768 CCOC(=O)CSc1ccccc1CC 62a_100000188475_100011215823 [0,2,0,0,0,0|1,0,1]=4 8646 B15R1.768 CCOC(=O)CSc1ccccc1CC 62a_100011215823_100000188475 [0,2,0,0,0,0|1,0,1]=4 8647 B15R1.768 CCOC(=O)CSc1ccccc1CN 62a_100000188475_100000689332 [0,2,0,0,0,0|1,0,1]=4 8648 B15R1.768 CCOC(=O)CSc1ccccc1CN 62a_100000689332_100000188475 [0,2,0,0,0,0|1,0,1]=4 8649 B15R1.768 CCOC(=O)CSc1ccccc1CO 62a_100000187465_100000188475 [0,2,0,0,0,0|1,0,1]=4 8650 B15R1.768 CCOC(=O)CSc1ccccc1CO 62a_100000188475_100000187465 [0,2,0,0,0,0|1,0,1]=4 8651 B15R1.768 CCOC(=O)CSc1ccccc1NC 62a_100000188475_100020606079 [0,2,0,0,0,0|1,0,1]=4 8652 B15R1.768 CCOC(=O)CSc1ccccc1NC 62a_100020606079_100000188475 [0,2,0,0,0,0|1,0,1]=4 8653 B15R1.768 CCOC(=O)CSc1ccccc1NN 62a_100000188475_100000241748 [0,2,0,0,0,0|1,0,1]=4 8654 B15R1.768 CCOC(=O)CSc1ccccc1NN 62a_100000241748_100000188475 [0,2,0,0,0,0|1,0,1]=4 8655 B15R1.768 CCOC(=O)CSc1ccccc1OC 62a_100000188475_100000210334 [0,2,0,0,0,0|1,0,1]=4 8656 B15R1.768 CCOC(=O)CSc1ccccc1OC 62a_100000210334_100000188475 [0,2,0,0,0,0|1,0,1]=4 8657 B15R1.768 CCOC(=O)CSc1ccccc1SC 62a_100000188475_100011217816 [0,2,0,0,0,0|1,0,1]=4 8658 B15R1.768 CCOC(=O)CSc1ccccc1SC 62a_100011217816_100000188475 [0,2,0,0,0,0|1,0,1]=4 8659 B15R1.768 CNNC(=O)C=Cc1ccccc1C#N 22a_100016993582_100016294624 [0,2,0,0,0,0|2,0,0]=4 8660 B15R1.768 CNNC(=O)C=Cc1ccccc1OC 22a_100016993582_100000182468 [0,2,0,0,0,0|2,0,0]=4 8661 B15R1.768 COc1ccccc1C=CC(=O)CCF 1458a_100000182468_100011217306 [0,2,0,0,0,0|2,0,0]=4 8662 B15R1.768 COc1ccccc1C=CC(=O)CCO 1458a_100000182468_100000211926 [0,2,0,0,0,0|2,0,0]=4 8663 B15R1.768 N#Cc1ccccc1C=CC(=O)CCF 1458a_100016294624_100011217306 [0,2,0,0,0,0|2,0,0]=4 8664 B15R1.768 N#Cc1ccccc1C=CC(=O)CCO 1458a_100016294624_100000211926 [0,2,0,0,0,0|2,0,0]=4 8665 B15R1.1323 CCC(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100000758301 [0,2,0,0,0,0|1,0,0]=3 8666 B15R1.1323 CCC(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000758301 [0,2,0,0,0,0|1,0,0]=3 8667 B15R1.1323 CCC(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_100000758301 [0,2,0,0,0,0|1,0,0]=3 8668 B15R1.1323 CCC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000758301 [0,2,0,0,0,0|1,0,0]=3 8669 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1Br 11a_100000225621_100000719032 [0,2,0,0,0,0|1,0,0]=3 8670 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000225621_100000719032 [0,2,0,0,0,0|1,0,0]=3 8671 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000225621_100000719032 [0,2,0,0,0,0|1,0,0]=3 8672 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1C 1626a_100000225621_100016266485 [0,2,0,0,0,0|1,0,0]=3 8673 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000225621_100000720304 [0,2,0,0,0,0|1,0,0]=3 8674 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000225621_100000720304 [0,2,0,0,0,0|1,0,0]=3 8675 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000225621_100000720304 [0,2,0,0,0,0|1,0,0]=3 8676 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1F 11a_100000225621_100016256065 [0,2,0,0,0,0|1,0,0]=3 8677 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1F 1626a_100000225621_100016256065 [0,2,0,0,0,0|1,0,0]=3 8678 B15R1.1323 CCN(C)C(=O)C=Cc1ccccc1F 240690a_100000225621_100016256065 [0,2,0,0,0,0|1,0,0]=3 8679 B15R1.36731 CCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000210303 [0,2,0,0,0,0|1,0,0]=3 8680 B15R1.36731 CCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000210303 [0,2,0,0,0,0|1,0,0]=3 8681 B15R1.36731 CCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000210303 [0,2,0,0,0,0|1,0,0]=3 8682 B15R1.36731 CCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100011215381 [0,2,0,0,0,0|1,0,0]=3 8683 B15R1.36731 CCCC(=O)C=Cc1c(cncc1Br)Cl 6a_100010064873_100011215381 [0,2,0,0,0,0|2,0,0]=4 8684 B15R1.36731 CCCC(=O)C=Cc1c(cncc1Br)F 6a_100010064882_100011215381 [0,2,0,0,0,0|2,0,0]=4 8685 B15R1.36731 CCCC(=O)C=Cc1c(cncc1Cl)Cl 6a_100000067493_100011215381 [0,2,0,0,0,0|2,0,0]=4 8686 B15R1.36731 CCCC(=O)C=Cc1c(cncc1F)F 6a_100000068831_100011215381 [0,2,0,0,0,0|2,0,0]=4 8687 B15R1.36731 CCNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100015525214_100000185082 [0,2,0,0,0,0|1,0,0]=3 8688 B15R1.36731 CCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100015525214_100000185082 [0,2,0,0,0,0|1,0,0]=3 8689 B15R1.36731 CCNC(=O)C=Cc1c(cccc1Cl)F 11a_100015525214_100016278423 [0,2,0,0,0,0|1,0,0]=3 8690 B15R1.36731 CCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100015525214_100016278423 [0,2,0,0,0,0|1,0,0]=3 8691 B15R1.36731 CCNC(=O)C=Cc1c(cccc1F)F 11a_100015525214_100000738813 [0,2,0,0,0,0|1,0,0]=3 8692 B15R1.36731 CCNC(=O)C=Cc1c(cccc1F)F 240690a_100015525214_100000738813 [0,2,0,0,0,0|1,0,0]=3 8693 B15R1.36731 CCOC(=O)C=Cc1c(ccc[n+]1[O-])C 271570a_100010199719_100116209805 [0,2,0,0,0,0|1,0,0]=3 8694 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Br)Br 271570a_100010199719_100009994525 [0,2,0,0,0,0|0,0,0]=2 8695 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Br)Cl 271570a_100010199719_100010214488 [0,2,0,0,0,0|0,0,0]=2 8696 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Br)F 271570a_100010199719_100011219512 [0,2,0,0,0,0|0,0,0]=2 8697 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Br)N 271570a_100010199719_100020590159 [0,2,0,0,0,0|0,0,0]=2 8698 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Br)O 271570a_100010199719_100010187912 [0,2,0,0,0,0|0,0,0]=2 8699 B15R1.36731 CCOC(=O)C=Cc1c(cccc1C)C 271570a_100010199719_100000033847 [0,2,0,0,0,0|0,0,0]=2 8700 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Cl)C 271570a_100010199719_100000043165 [0,2,0,0,0,0|0,0,0]=2 8701 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Cl)Cl 271570a_100010199719_100000034237 [0,2,0,0,0,0|0,0,0]=2 8702 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Cl)F 271570a_100010199719_100000050007 [0,2,0,0,0,0|0,0,0]=2 8703 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Cl)N 271570a_100010199719_100000049713 [0,2,0,0,0,0|0,0,0]=2 8704 B15R1.36731 CCOC(=O)C=Cc1c(cccc1Cl)O 271570a_100010199719_100000050174 [0,2,0,0,0,0|0,0,0]=2 8705 B15R1.36731 CCOC(=O)C=Cc1c(cccc1F)C 271570a_100010199719_100012349962 [0,2,0,0,0,0|0,0,0]=2 8706 B15R1.36731 CCOC(=O)C=Cc1c(cccc1F)F 271570a_100010199719_100000693133 [0,2,0,0,0,0|0,0,0]=2 8707 B15R1.36731 CCOC(=O)C=Cc1c(cccc1F)N 271570a_100010199719_100011934729 [0,2,0,0,0,0|0,0,0]=2 8708 B15R1.36731 CCOC(=O)C=Cc1c(cccc1F)O 271570a_100010199719_100009820682 [0,2,0,0,0,0|0,0,0]=2 8709 B15R1.36731 CCOC(=O)C=Cc1c(cccc1N)C 271570a_100010199719_100000684715 [0,2,0,0,0,0|0,0,0]=2 8710 B15R1.36731 CCOC(=O)C=Cc1c(cccc1O)C 271570a_100010199719_100000686692 [0,2,0,0,0,0|0,0,0]=2 8711 B15R1.36731 CCOC(=O)C=Cc1c(cccc1O)N 271570a_100010199719_100012183704 [0,2,0,0,0,0|0,0,0]=2 8712 B15R1.36731 CCOC(=O)C=Cc1c(cccc1O)O 271570a_100010199719_100010205330 [0,2,0,0,0,0|0,0,0]=2 8713 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1C)C 271570a_100010199719_100012000501 [0,2,0,0,0,0|1,0,0]=3 8714 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1C)N 271570a_100010199719_100010243816 [0,2,0,0,0,0|1,0,0]=3 8715 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1F)C 271570a_100010199719_100009818256 [0,2,0,0,0,0|1,0,0]=3 8716 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1F)F 271570a_100010199719_100009874084 [0,2,0,0,0,0|1,0,0]=3 8717 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1F)N 271570a_100010199719_100010381272 [0,2,0,0,0,0|1,0,0]=3 8718 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1N)C 271570a_100010199719_100011998619 [0,2,0,0,0,0|1,0,0]=3 8719 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1N)Cl 271570a_100010199719_100010199028 [0,2,0,0,0,0|1,0,0]=3 8720 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1O)C 271570a_100010199719_100012000493 [0,2,0,0,0,0|1,0,0]=3 8721 B15R1.36731 CCOC(=O)C=Cc1c(ccnc1O)O 271570a_100010199719_200009817435 [0,2,0,0,0,0|1,0,0]=3 8722 B15R1.36731 CCOC(=O)C=Cc1c(cn[nH]c1=O)N 271570a_100010199719_100000687681 [0,2,0,0,0,0|2,0,0]=4 8723 B15R1.36731 CCOC(=O)C=Cc1c(cn[nH]c1=O)O 271570a_100010199719_100000116976 [0,2,0,0,0,0|2,0,0]=4 8724 B15R1.36731 CCOC(=O)C=Cc1c(cncc1Br)Br 271570a_100010199719_100010172828 [0,2,0,0,0,0|1,0,0]=3 8725 B15R1.36731 CCOC(=O)C=Cc1c(cncc1C)C 271570a_100010199719_100009817138 [0,2,0,0,0,0|1,0,0]=3 8726 B15R1.36731 CCOC(=O)C=Cc1c(cncc1Cl)Cl 271570a_100010199719_100000036193 [0,2,0,0,0,0|1,0,0]=3 8727 B15R1.36731 CCOC(=O)C=Cc1c(cncc1F)F 271570a_100010199719_100000760538 [0,2,0,0,0,0|1,0,0]=3 8728 B15R1.36731 CCOC(=O)C=Cc1c(nc[nH]c1=O)C 271570a_100010199719_100011356812 [0,2,0,0,0,0|2,0,0]=4 8729 B15R1.36731 CCOC(=O)C=Cc1c(ncnc1C)C 271570a_100010199719_100009820708 [0,2,0,0,0,0|2,0,0]=4 8730 B15R1.36731 CCOC(=O)C=Cc1c(ncnc1F)F 271570a_100010199719_100009816962 [0,2,0,0,0,0|2,0,0]=4 8731 B15R1.36731 CCOC(=O)C=Cc1c(ncnc1N)C 271570a_100010199719_100011996190 [0,2,0,0,0,0|2,0,0]=4 8732 B15R1.36731 CCOC(=O)C=Cc1c(ncnc1N)N 271570a_100010199719_100010128106 [0,2,0,0,0,0|2,0,0]=4 8733 B15R1.36731 CCOC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000188475 [0,2,0,0,0,0|1,0,1]=4 8734 B15R1.36731 CCOC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000188475 [0,2,0,0,0,0|1,0,1]=4 8735 B15R1.36731 CCOC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000188475 [0,2,0,0,0,0|1,0,1]=4 8736 B15R1.36731 CCOC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000188475 [0,2,0,0,0,0|1,0,1]=4 8737 B15R1.36731 CCOC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000188475 [0,2,0,0,0,0|1,0,1]=4 8738 B15R1.36731 CCOC(=O)CNc1c(cccc1C)C 34a_100000185769_100000188475 [0,2,0,0,0,0|1,0,1]=4 8739 B15R1.36731 CCOC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000188475 [0,2,0,0,0,0|1,0,1]=4 8740 B15R1.36731 CCOC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000188475 [0,2,0,0,0,0|1,0,1]=4 8741 B15R1.36731 CCOC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000188475 [0,2,0,0,0,0|1,0,1]=4 8742 B15R1.36731 CCOC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000188475 [0,2,0,0,0,0|1,0,1]=4 8743 B15R1.36731 CCOC(=O)CNc1c(cccc1F)C 34a_100000766463_100000188475 [0,2,0,0,0,0|1,0,1]=4 8744 B15R1.36731 CCOC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000188475 [0,2,0,0,0,0|1,0,1]=4 8745 B15R1.36731 CCOC(=O)CNc1c(cccc1F)F 34a_100000210704_100000188475 [0,2,0,0,0,0|1,0,1]=4 8746 B15R1.36731 CCOC(=O)CNc1c(cccc1F)O 34a_100020591140_100000188475 [0,2,0,0,0,0|1,0,1]=4 8747 B15R1.36731 CCOC(=O)CNc1c(cccc1I)F 34a_100000042321_100000188475 [0,2,0,0,0,0|1,0,1]=4 8748 B15R1.36731 CCOC(=O)CNc1c(cccc1O)C 34a_100000743429_100000188475 [0,2,0,0,0,0|1,0,1]=4 8749 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000188475 [0,2,0,0,0,0|1,0,1]=4 8750 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000188475 [0,2,0,0,0,0|1,0,1]=4 8751 B15R1.36731 CCOC(=O)COc1c(cccc1Br)C 34a_100009817157_100000188475 [0,2,0,0,0,0|1,0,1]=4 8752 B15R1.36731 CCOC(=O)COc1c(cccc1Br)C 7a_100009817157_100000188475 [0,2,0,0,0,0|1,0,1]=4 8753 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000188475 [0,2,0,0,0,0|1,0,1]=4 8754 B15R1.36731 CCOC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000188475 [0,2,0,0,0,0|1,0,1]=4 8755 B15R1.36731 CCOC(=O)COc1c(cccc1Br)F 34a_100009813666_100000188475 [0,2,0,0,0,0|1,0,1]=4 8756 B15R1.36731 CCOC(=O)COc1c(cccc1Br)F 7a_100009813666_100000188475 [0,2,0,0,0,0|1,0,1]=4 8757 B15R1.36731 CCOC(=O)COc1c(cccc1Br)N 34a_100011934915_100000188475 [0,2,0,0,0,0|1,0,1]=4 8758 B15R1.36731 CCOC(=O)COc1c(cccc1C)C 34a_100000210341_100000188475 [0,2,0,0,0,0|1,0,1]=4 8759 B15R1.36731 CCOC(=O)COc1c(cccc1C)C 7a_100000210341_100000188475 [0,2,0,0,0,0|1,0,1]=4 8760 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000188475 [0,2,0,0,0,0|1,0,1]=4 8761 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000188475 [0,2,0,0,0,0|1,0,1]=4 8762 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000188475 [0,2,0,0,0,0|1,0,1]=4 8763 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000188475 [0,2,0,0,0,0|1,0,1]=4 8764 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000188475 [0,2,0,0,0,0|1,0,1]=4 8765 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000188475 [0,2,0,0,0,0|1,0,1]=4 8766 B15R1.36731 CCOC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000188475 [0,2,0,0,0,0|1,0,1]=4 8767 B15R1.36731 CCOC(=O)COc1c(cccc1F)C 34a_100011659162_100000188475 [0,2,0,0,0,0|1,0,1]=4 8768 B15R1.36731 CCOC(=O)COc1c(cccc1F)C 7a_100011659162_100000188475 [0,2,0,0,0,0|1,0,1]=4 8769 B15R1.36731 CCOC(=O)COc1c(cccc1F)F 34a_100000230165_100000188475 [0,2,0,0,0,0|1,0,1]=4 8770 B15R1.36731 CCOC(=O)COc1c(cccc1F)F 7a_100000230165_100000188475 [0,2,0,0,0,0|1,0,1]=4 8771 B15R1.36731 CCOC(=O)COc1c(cccc1F)N 34a_100011934987_100000188475 [0,2,0,0,0,0|1,0,1]=4 8772 B15R1.36731 CCOC(=O)COc1c(cccc1I)Br 34a_100010084509_100000188475 [0,2,0,0,0,0|1,0,1]=4 8773 B15R1.36731 CCOC(=O)COc1c(cccc1I)Br 7a_100010084509_100000188475 [0,2,0,0,0,0|1,0,1]=4 8774 B15R1.36731 CCOC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000188475 [0,2,0,0,0,0|1,0,1]=4 8775 B15R1.36731 CCOC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000188475 [0,2,0,0,0,0|1,0,1]=4 8776 B15R1.36731 CCOC(=O)COc1c(cccc1I)F 34a_100010186298_100000188475 [0,2,0,0,0,0|1,0,1]=4 8777 B15R1.36731 CCOC(=O)COc1c(cccc1I)F 7a_100010186298_100000188475 [0,2,0,0,0,0|1,0,1]=4 8778 B15R1.36731 CCOC(=O)COc1c(cccc1I)N 34a_100010084371_100000188475 [0,2,0,0,0,0|1,0,1]=4 8779 B15R1.36731 CCOC(=O)COc1c(cccc1N)C 34a_100000756359_100000188475 [0,2,0,0,0,0|1,0,1]=4 8780 B15R1.36731 CCOC(=O)COc1c(cccc1N)C 7a_100000756359_100000188475 [0,2,0,0,0,0|1,0,1]=4 8781 B15R1.36731 CCOC(=O)COc1c(cccc1N)N 34a_200016994477_100000188475 [0,2,0,0,0,0|1,0,1]=4 8782 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)Br 62a_100000188475_100009994525 [0,2,0,0,0,0|1,0,1]=4 8783 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)Br 62a_100009994525_100000188475 [0,2,0,0,0,0|1,0,1]=4 8784 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)C 62a_100000188475_100010141302 [0,2,0,0,0,0|1,0,1]=4 8785 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000188475 [0,2,0,0,0,0|1,0,1]=4 8786 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)Cl 62a_100000188475_100010214488 [0,2,0,0,0,0|1,0,1]=4 8787 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)Cl 62a_100010214488_100000188475 [0,2,0,0,0,0|1,0,1]=4 8788 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)F 62a_100000188475_100011219512 [0,2,0,0,0,0|1,0,1]=4 8789 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)F 62a_100011219512_100000188475 [0,2,0,0,0,0|1,0,1]=4 8790 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)N 62a_100000188475_100020590159 [0,2,0,0,0,0|1,0,1]=4 8791 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)N 62a_100020590159_100000188475 [0,2,0,0,0,0|1,0,1]=4 8792 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)O 62a_100000188475_100010187912 [0,2,0,0,0,0|1,0,1]=4 8793 B15R1.36731 CCOC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000188475 [0,2,0,0,0,0|1,0,1]=4 8794 B15R1.36731 CCOC(=O)CSc1c(cccc1C)C 62a_100000033847_100000188475 [0,2,0,0,0,0|1,0,1]=4 8795 B15R1.36731 CCOC(=O)CSc1c(cccc1C)C 62a_100000188475_100000033847 [0,2,0,0,0,0|1,0,1]=4 8796 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000188475 [0,2,0,0,0,0|1,0,1]=4 8797 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)C 62a_100000188475_100000043165 [0,2,0,0,0,0|1,0,1]=4 8798 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000188475 [0,2,0,0,0,0|1,0,1]=4 8799 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)Cl 62a_100000188475_100000034237 [0,2,0,0,0,0|1,0,1]=4 8800 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)F 62a_100000050007_100000188475 [0,2,0,0,0,0|1,0,1]=4 8801 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)F 62a_100000188475_100000050007 [0,2,0,0,0,0|1,0,1]=4 8802 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)N 62a_100000049713_100000188475 [0,2,0,0,0,0|1,0,1]=4 8803 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)N 62a_100000188475_100000049713 [0,2,0,0,0,0|1,0,1]=4 8804 B15R1.36731 CCOC(=O)CSc1c(cccc1Cl)O 62a_100000188475_100000050174 [0,2,0,0,0,0|1,0,1]=4 8805 B15R1.36731 CCOC(=O)CSc1c(cccc1F)C 62a_100000188475_100011218421 [0,2,0,0,0,0|1,0,1]=4 8806 B15R1.36731 CCOC(=O)CSc1c(cccc1F)C 62a_100011218421_100000188475 [0,2,0,0,0,0|1,0,1]=4 8807 B15R1.36731 CCOC(=O)CSc1c(cccc1F)F 62a_100000188475_100000693133 [0,2,0,0,0,0|1,0,1]=4 8808 B15R1.36731 CCOC(=O)CSc1c(cccc1F)F 62a_100000693133_100000188475 [0,2,0,0,0,0|1,0,1]=4 8809 B15R1.36731 CCOC(=O)CSc1c(cccc1F)N 62a_100000188475_100000690935 [0,2,0,0,0,0|1,0,1]=4 8810 B15R1.36731 CCOC(=O)CSc1c(cccc1F)N 62a_100000690935_100000188475 [0,2,0,0,0,0|1,0,1]=4 8811 B15R1.36731 CCOC(=O)CSc1c(cccc1F)O 62a_100000188475_100009820682 [0,2,0,0,0,0|1,0,1]=4 8812 B15R1.36731 CCOC(=O)CSc1c(cccc1F)O 62a_100009820682_100000188475 [0,2,0,0,0,0|1,0,1]=4 8813 B15R1.36731 CCOC(=O)CSc1c(cccc1N)C 62a_100000188475_100000684715 [0,2,0,0,0,0|1,0,1]=4 8814 B15R1.36731 CCOC(=O)CSc1c(cccc1N)C 62a_100000684715_100000188475 [0,2,0,0,0,0|1,0,1]=4 8815 B15R1.36731 CCOC(=O)CSc1c(cccc1O)C 62a_100000188475_100000686692 [0,2,0,0,0,0|1,0,1]=4 8816 B15R1.36731 CCOC(=O)CSc1c(cccc1O)C 62a_100000686692_100000188475 [0,2,0,0,0,0|1,0,1]=4 8817 B15R1.36731 CCOC(=O)CSc1c(cccc1O)N 62a_100000188475_100012183704 [0,2,0,0,0,0|1,0,1]=4 8818 B15R1.36731 CCOC(=O)CSc1c(cccc1O)N 62a_100012183704_100000188475 [0,2,0,0,0,0|1,0,1]=4 8819 B15R1.36731 CCOC(=O)CSc1c(cccc1O)O 62a_100000188475_100010205330 [0,2,0,0,0,0|1,0,1]=4 8820 B15R1.36731 CNNC(=O)C=Cc1c(cccc1Cl)Cl 22a_100016993582_100000185082 [0,2,0,0,0,0|2,0,0]=4 8821 B15R1.36731 CNNC(=O)C=Cc1c(cccc1Cl)F 22a_100016993582_100016278423 [0,2,0,0,0,0|2,0,0]=4 8822 B15R1.36731 CNNC(=O)C=Cc1c(cccc1F)F 22a_100016993582_100000738813 [0,2,0,0,0,0|2,0,0]=4 8823 B15R1.36731 COCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100000211753 [0,2,0,0,0,0|2,0,0]=4 8824 B15R1.36731 CSCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100011216314 [0,2,0,0,0,0|2,0,0]=4 8825 B15R1.36731 O=C(C=Cc1c(cccc1Cl)Cl)CCF 1458a_100000185082_100011217306 [0,2,0,0,0,0|2,0,0]=4 8826 B15R1.36731 O=C(C=Cc1c(cccc1Cl)Cl)CCO 1458a_100000185082_100000211926 [0,2,0,0,0,0|2,0,0]=4 8827 B15R1.36731 O=C(C=Cc1c(cccc1Cl)F)CCF 1458a_100016278423_100011217306 [0,2,0,0,0,0|2,0,0]=4 8828 B15R1.36731 O=C(C=Cc1c(cccc1Cl)F)CCO 1458a_100016278423_100000211926 [0,2,0,0,0,0|2,0,0]=4 8829 B15R1.36731 O=C(C=Cc1c(cccc1F)F)CCF 1458a_100000738813_100011217306 [0,2,0,0,0,0|2,0,0]=4 8830 B15R1.36731 O=C(C=Cc1c(cccc1F)F)CCO 1458a_100000738813_100000211926 [0,2,0,0,0,0|2,0,0]=4 8831 B15R1.36731 O=C(C=Cc1c(cccc1I)F)CCBr 6a_100010178011_100011261029 [0,2,0,0,0,0|2,0,0]=4 8832 B15R1.36731 O=C(C=Cc1c(cccc1I)F)CCCl 6a_100010178011_100000053229 [0,2,0,0,0,0|2,0,0]=4 8833 B15R1.488 CCC(CC)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210505 [0,2,0,0,0,0|1,0,0]=3 8834 B15R1.488 CCC(CC)C(=O)C=Cc1ccccn1 1458a_100000740811_100000210505 [0,2,0,0,0,0|2,0,0]=4 8835 B15R1.488 CCC(CC)C(=O)C=Cc1cccnc1 1458a_100000735890_100000210505 [0,2,0,0,0,0|2,0,0]=4 8836 B15R1.488 CCC(CC)C(=O)C=Cc1ccncc1 1458a_100000682801_100000210505 [0,2,0,0,0,0|2,0,0]=4 8837 B15R1.488 CCN(CC)C(=O)C=Cc1ccccc1 11a_100000724800_100000210462 [0,2,0,0,0,0|1,0,0]=3 8838 B15R1.488 CCN(CC)C(=O)C=Cc1ccccc1 1626a_100000724800_100000210462 [0,2,0,0,0,0|1,0,0]=3 8839 B15R1.488 CCN(CC)C(=O)C=Cc1ccccn1 11a_100000724800_100000740811 [0,2,0,0,0,0|2,0,0]=4 8840 B15R1.488 CCN(CC)C(=O)C=Cc1ccccn1 240690a_100000724800_100000740811 [0,2,0,0,0,0|2,0,0]=4 8841 B15R1.488 CCN(CC)C(=O)C=Cc1cccnc1 11a_100000724800_100000735890 [0,2,0,0,0,0|2,0,0]=4 8842 B15R1.488 CCN(CC)C(=O)C=Cc1cccnc1 240690a_100000724800_100000735890 [0,2,0,0,0,0|2,0,0]=4 8843 B15R1.488 CCN(CC)C(=O)C=Cc1ccncc1 240690a_100000724800_100000682801 [0,2,0,0,0,0|2,0,0]=4 8844 B15R1.1420 CCN(C)S(=O)(=O)C=Cc1ccccc1 40a_100000225621_100011098038 [0,2,0,0,0,0|2,0,0]=4 8845 B15R1.3678 CC(=O)C(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000179758 [0,2,0,0,0,0|1,0,1]=4 8846 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccc1 11a_200000211004_100000210462 [0,2,0,0,0,0|1,0,0]=3 8847 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccc1 1626a_200000211004_100000210462 [0,2,0,0,0,0|1,0,0]=3 8848 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccn1 11a_200000211004_100000740811 [0,2,0,0,0,0|2,0,0]=4 8849 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccccn1 240690a_200000211004_100000740811 [0,2,0,0,0,0|2,0,0]=4 8850 B15R1.3678 CC(C)N(C)C(=O)C=Cc1cccnc1 11a_200000211004_100000735890 [0,2,0,0,0,0|2,0,0]=4 8851 B15R1.3678 CC(C)N(C)C(=O)C=Cc1cccnc1 240690a_200000211004_100000735890 [0,2,0,0,0,0|2,0,0]=4 8852 B15R1.3678 CC(C)N(C)C(=O)C=Cc1ccncc1 240690a_200000211004_100000682801 [0,2,0,0,0,0|2,0,0]=4 8853 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccc1 11a_100000715429_100000210462 [0,2,0,0,0,0|1,0,0]=3 8854 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100000715429_100000210462 [0,2,0,0,0,0|1,0,0]=3 8855 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccn1 11a_100000715429_100000740811 [0,2,0,0,0,0|2,0,0]=4 8856 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccccn1 240690a_100000715429_100000740811 [0,2,0,0,0,0|2,0,0]=4 8857 B15R1.3465 CC(C)(C)NC(=O)C=Cc1cccnc1 11a_100000715429_100000735890 [0,2,0,0,0,0|2,0,0]=4 8858 B15R1.3465 CC(C)(C)NC(=O)C=Cc1cccnc1 240690a_100000715429_100000735890 [0,2,0,0,0,0|2,0,0]=4 8859 B15R1.3465 CC(C)(C)NC(=O)C=Cc1ccncc1 240690a_100000715429_100000682801 [0,2,0,0,0,0|2,0,0]=4 8860 B15R1.3465 CC(C)(C)OC(=O)CNc1ccccc1 34a_100000106764_100000183872 [0,2,0,0,0,0|1,0,1]=4 8861 B15R1.3465 CC(C)(C)OC(=O)COc1ccccc1 34a_100000210340_100000183872 [0,2,0,0,0,0|1,0,1]=4 8862 B15R1.3465 CC(C)(C)OC(=O)COc1ccccc1 7a_100000210340_100000183872 [0,2,0,0,0,0|1,0,1]=4 8863 B15R1.3465 CC(C)(C)OC(=O)CSc1ccccc1 62a_100000183872_100000041952 [0,2,0,0,0,0|1,0,1]=4 8864 B15R1.3465 CC(C)(C)OC(=O)CSc1ccccc1 62a_100000719477_100000183872 [0,2,0,0,0,0|1,0,1]=4 8865 B15R1.3465 CS(=O)(=O)NC(=O)C=Cc1ccccc1 2740a_100000171171_100000210462 [0,2,0,0,0,0|2,0,0]=4 8866 B15R1.3465 C[Si](C)(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000233785 [0,2,0,0,0,0|1,1,0]=4 8867 B15R1.3983 CCOC(C=Cc1ccccc1)OCC 271570a_100000047244_100000210277 [0,2,0,0,0,0|0,0,2]=4 8868 B13R1.208 C=C=Cc1cscc1C(=O)OCC 271570a_100015277604_100012353568 [0,0,1,1,0,0|1,0,1]=4 8869 B13R1.208 C=C=Cc1sccc1C(=O)OCC 271570a_100015277604_100010219215 [0,0,1,1,0,0|1,0,1]=4 8870 B13R1.208 CC=Cc1cscc1C(=O)OCC 271570a_100016259895_100012353568 [0,0,1,1,0,0|1,0,1]=4 8871 B13R1.208 CC=Cc1sccc1C(=O)OCC 271570a_100016259895_100010219215 [0,0,1,1,0,0|1,0,1]=4 8872 B13R1.464 C=Cc1ccccc1C(=O)CCC 1458a_100011830265_100000210303 [0,0,1,1,0,0|1,0,0]=3 8873 B13R1.464 C=Cc1ccccc1C(=O)CCF 1458a_100011830265_100011217306 [0,0,1,1,0,0|2,0,0]=4 8874 B13R1.464 C=Cc1ccccc1C(=O)CCO 1458a_100011830265_100000211926 [0,0,1,1,0,0|2,0,0]=4 8875 B13R1.464 C=Cc1ccccc1C(=O)NCC 271570a_100011290941_200000155173 [0,0,1,1,0,0|1,0,0]=3 8876 B13R1.464 C=Cc1ccccc1C(=O)NNC 22a_100016993582_100011830265 [0,0,1,1,0,0|2,0,0]=4 8877 B13R1.464 C=Cc1ccccc1C(=O)OCC 271570a_100011290941_100000169879 [0,0,1,1,0,0|0,0,0]=2 8878 B13R1.464 C=Cc1cccnc1C(=O)OCC 271570a_100011290941_100012351660 [0,0,1,1,0,0|1,0,0]=3 8879 B13R1.464 C=Cc1ccncc1C(=O)OCC 271570a_100011290941_100016987518 [0,0,1,1,0,0|1,0,0]=3 8880 B13R1.464 C=Cc1cnccc1C(=O)OCC 271570a_100011290941_100010238393 [0,0,1,1,0,0|1,0,0]=3 8881 B13R1.464 C=Cc1cncnc1C(=O)OCC 271570a_100011290941_100012344254 [0,0,1,1,0,0|2,0,0]=4 8882 B13R1.464 C=Cc1ncccc1C(=O)NCC 271570a_100011290941_100000160120 [0,0,1,1,0,0|2,0,0]=4 8883 B13R1.464 C=Cc1ncccc1C(=O)OCC 271570a_100011290941_100000170124 [0,0,1,1,0,0|1,0,0]=3 8884 B13R1.464 C=Cc1ncncc1C(=O)OCC 271570a_100011290941_100011998183 [0,0,1,1,0,0|2,0,0]=4 8885 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [0,0,1,1,0,0|1,0,1]=4 8886 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [0,0,1,1,0,0|1,0,1]=4 8887 B13R1.464 CCOC(=O)c1ccccc1SC 62a_100000169876_200000210301 [0,0,1,1,0,0|1,0,1]=4 8888 B13R1.464 CCOC(=O)c1ccccc1SC 62a_200000210301_100000169879 [0,0,1,1,0,0|1,0,1]=4 8889 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_100000169876_200025704644 [0,0,1,1,0,0|1,0,1]=4 8890 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000169879 [0,0,1,1,0,0|1,0,1]=4 8891 B13R1.361 C=C=Cc1cc(cs1)C(=O)OCC 271570a_100015277604_100011228516 [0,0,1,1,0,0|1,0,1]=4 8892 B13R1.361 C=C=Cc1ccc([nH]1)C(=O)OCC 271570a_100015277604_200000687776 [0,0,1,1,0,0|1,0,1]=4 8893 B13R1.361 C=C=Cc1ccc(o1)C(=O)OCC 271570a_100015277604_200000170220 [0,0,1,1,0,0|1,0,1]=4 8894 B13R1.361 C=C=Cc1ccc(s1)C(=O)OCC 271570a_100015277604_100000172375 [0,0,1,1,0,0|1,0,1]=4 8895 B13R1.361 C=C=Cc1csc(c1)C(=O)OCC 271570a_100015277604_100009815474 [0,0,1,1,0,0|1,0,1]=4 8896 B13R1.361 CC=Cc1cc(cs1)C(=O)OCC 271570a_100016259895_100011228516 [0,0,1,1,0,0|1,0,1]=4 8897 B13R1.361 CC=Cc1ccc([nH]1)C(=O)OCC 271570a_100016259895_200000687776 [0,0,1,1,0,0|1,0,1]=4 8898 B13R1.361 CC=Cc1ccc(o1)C(=O)OCC 271570a_100016259895_200000170220 [0,0,1,1,0,0|1,0,1]=4 8899 B13R1.361 CC=Cc1ccc(s1)C(=O)OCC 271570a_100016259895_100000172375 [0,0,1,1,0,0|1,0,1]=4 8900 B13R1.361 CC=Cc1csc(c1)C(=O)OCC 271570a_100016259895_100009815474 [0,0,1,1,0,0|1,0,1]=4 8901 B13R1.386 C=Cc1cc(ccc1C=O)OCC 271570a_100011290941_200012721597 [0,0,1,1,0,0|2,0,0]=4 8902 B13R1.386 C=Cc1ccc(cc1C=O)OCC 271570a_100011290941_100012345016 [0,0,1,1,0,0|2,0,0]=4 8903 B13R1.460 C=Cc1cc(ccn1)C(=O)NCC 271570a_100011290941_100000229823 [0,0,1,1,0,0|2,0,0]=4 8904 B13R1.460 C=Cc1cc(ccn1)C(=O)OCC 271570a_100011290941_100011213083 [0,0,1,1,0,0|1,0,0]=3 8905 B13R1.460 C=Cc1cc(cnn1)C(=O)OCC 271570a_100011290941_100009853686 [0,0,1,1,0,0|2,0,0]=4 8906 B13R1.460 C=Cc1cc(ncn1)C(=O)OCC 271570a_100011290941_100009878719 [0,0,1,1,0,0|2,0,0]=4 8907 B13R1.460 C=Cc1cccc(c1)C(=O)CCC 1458a_100011215009_100000210303 [0,0,1,1,0,0|1,0,0]=3 8908 B13R1.460 C=Cc1cccc(c1)C(=O)CCF 1458a_100011215009_100011217306 [0,0,1,1,0,0|2,0,0]=4 8909 B13R1.460 C=Cc1cccc(c1)C(=O)CCO 1458a_100011215009_100000211926 [0,0,1,1,0,0|2,0,0]=4 8910 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 11a_100015525214_100011215009 [0,0,1,1,0,0|1,0,0]=3 8911 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 240690a_100015525214_100011215009 [0,0,1,1,0,0|1,0,0]=3 8912 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 271570a_100011290941_100000155180 [0,0,1,1,0,0|1,0,0]=3 8913 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 527a_100015525214_100011215009 [0,0,1,1,0,0|1,0,0]=3 8914 B13R1.460 C=Cc1cccc(c1)C(=O)NNC 22a_100016993582_100011215009 [0,0,1,1,0,0|2,0,0]=4 8915 B13R1.460 C=Cc1cccc(c1)C(=O)OCC 271570a_100011290941_100000170211 [0,0,1,1,0,0|0,0,0]=2 8916 B13R1.460 C=Cc1cccc(n1)C(=O)OCC 271570a_100011290941_100000695914 [0,0,1,1,0,0|1,0,0]=3 8917 B13R1.460 C=Cc1ccnc(c1)C(=O)NCC 271570a_100011290941_100000194128 [0,0,1,1,0,0|2,0,0]=4 8918 B13R1.460 C=Cc1ccnc(c1)C(=O)OCC 271570a_100011290941_100010210110 [0,0,1,1,0,0|1,0,0]=3 8919 B13R1.460 C=Cc1cncc(c1)C(=O)NCC 271570a_100011290941_200000155184 [0,0,1,1,0,0|2,0,0]=4 8920 B13R1.460 C=Cc1cncc(c1)C(=O)OCC 271570a_100011290941_100000170250 [0,0,1,1,0,0|1,0,0]=3 8921 B13R1.460 C=Cc1cncc(n1)C(=O)OCC 271570a_100011290941_100012185986 [0,0,1,1,0,0|2,0,0]=4 8922 B13R1.460 C=Cc1nccc(n1)C(=O)OCC 271570a_100011290941_100000087789 [0,0,1,1,0,0|2,0,0]=4 8923 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [0,0,1,1,0,0|1,0,1]=4 8924 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [0,0,1,1,0,0|1,0,1]=4 8925 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_100000170211_200000210301 [0,0,1,1,0,0|1,0,1]=4 8926 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_200000210301_100000170211 [0,0,1,1,0,0|1,0,1]=4 8927 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_100000170211_200025704644 [0,0,1,1,0,0|1,0,1]=4 8928 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000170211 [0,0,1,1,0,0|1,0,1]=4 8929 B13R1.446 CCOC(=O)c1cc(ccc1Br)O 271570a_203496583355_200012360513 [0,0,1,1,0,0|2,0,0]=4 8930 B13R1.446 CCOC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360117 [0,0,1,1,0,0|1,0,1]=4 8931 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200012339456 [0,0,1,1,0,0|2,0,0]=4 8932 B13R1.446 CCOC(=O)c1cc(ccc1F)O 271570a_203496583355_100000716760 [0,0,1,1,0,0|2,0,0]=4 8933 B13R1.446 CCOC(=O)c1cc(ccc1N)O 271570a_203496583355_100000747833 [0,0,1,1,0,0|2,0,0]=4 8934 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [0,0,1,1,0,0|2,0,0]=4 8935 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,0,1,1,0,0|1,0,1]=4 8936 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [0,0,1,1,0,0|2,0,0]=4 8937 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [0,0,1,1,0,0|2,0,0]=4 8938 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [0,0,1,1,0,0|2,0,0]=4 8939 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [1,0,0,1,0,0|1,0,0]=3 8940 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [1,0,0,1,0,0|1,0,0]=3 8941 B13R2.1 CCSc1coc2c1cccc2 62a_100000210202_100009812202 [1,0,0,1,0,0|1,1,0]=4 8942 B13R2.1 CCSc1csc2c1cccc2 62a_100000210202_100009813928 [1,0,0,1,0,0|1,1,0]=4 8943 B13R2.1 FCOc1csc2c1cccc2 34a_100000077758_100015361967 [1,0,0,1,0,0|2,0,0]=4 8944 B13R2.1 FCOc1csc2c1cccc2 7a_100000077758_100015361967 [1,0,0,1,0,0|2,0,0]=4 8945 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [1,0,0,1,0,0|1,0,1]=4 8946 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [1,0,0,1,0,0|2,0,0]=4 8947 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [1,0,0,1,0,0|1,0,1]=4 8948 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [1,0,0,1,0,0|0,0,1]=3 8949 B13R2.3 C1=C(CCOC1)c2ccccn2 271570a_100000070234_100011216584 [1,0,0,1,0,0|1,0,1]=4 8950 B13R2.3 C1=C(CCOC1)c2cccnc2 271570a_100000070234_100000752921 [1,0,0,1,0,0|1,0,1]=4 8951 B13R2.3 C1=C(CCOC1)c2ccncc2 271570a_100000070234_100000035832 [1,0,0,1,0,0|1,0,1]=4 8952 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [1,0,0,1,0,0|0,1,1]=4 8953 B13R2.15 Cc1occc1c2ccccc2 271570a_100000070625_100000210277 [1,0,0,1,0,0|0,0,1]=3 8954 B13R2.15 Cc1occc1c2ccccn2 271570a_100000070625_100011216584 [1,0,0,1,0,0|1,0,1]=4 8955 B13R2.15 Cc1occc1c2cccnc2 271570a_100000070625_100000752921 [1,0,0,1,0,0|1,0,1]=4 8956 B13R2.15 Cc1occc1c2ccncc2 271570a_100000070625_100000035832 [1,0,0,1,0,0|1,0,1]=4 8957 B13R2.15 Cc1oncc1c2ccccc2 271570a_100000723675_100000210277 [1,0,0,1,0,0|1,0,1]=4 8958 B13R2.15 Cc1oncc1c2ccccc2 271570a_100011218836_100009872056 [1,0,0,1,0,0|1,0,1]=4 8959 B13R2.15 Cc1sccc1c2ccccc2 271570a_100011218836_100000684487 [1,0,0,1,0,0|0,1,1]=4 8960 B13R2.15 Cc1sccc1c2ccccc2 271570a_100012356473_100000210277 [1,0,0,1,0,0|0,1,1]=4 8961 B13R2.15 Cn1cccc1c2ccccc2 271570a_100000068268_100000210277 [1,0,0,1,0,0|2,0,0]=4 8962 B13R2.15 Cn1nccc1c2ccccc2 271570a_100000707534_100000210277 [1,0,0,1,0,0|2,0,0]=4 8963 B13R2.15 Cn1nccc1c2ccccc2 271570a_100011218836_100000688441 [1,0,0,1,0,0|2,0,0]=4 8964 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [1,0,0,1,0,0|1,0,1]=4 8965 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [1,0,0,1,0,0|2,0,0]=4 8966 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,0,0,1,0,0|2,0,0]=4 8967 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,0,0,1,0,0|2,0,0]=4 8968 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [1,0,0,1,0,0|2,0,0]=4 8969 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [1,0,0,1,0,0|2,0,0]=4 8970 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,0,0,1,0,0|2,0,0]=4 8971 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,0,0,1,0,0|2,0,0]=4 8972 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [1,0,0,1,0,0|2,0,0]=4 8973 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [1,0,0,1,0,0|0,0,0]=2 8974 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [1,0,0,1,0,0|1,0,0]=3 8975 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [1,0,0,1,0,0|1,0,0]=3 8976 B13R2.10 O=C1C=C(CC1)c2cccnn2 271570a_100010737933_100016991348 [1,0,0,1,0,0|2,0,0]=4 8977 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [1,0,0,1,0,0|1,0,0]=3 8978 B13R2.10 O=C1C=C(CC1)c2ccncn2 271570a_100010737933_100000703185 [1,0,0,1,0,0|2,0,0]=4 8979 B13R2.10 O=C1C=C(CC1)c2ccnnc2 271570a_100010737933_100000732662 [1,0,0,1,0,0|2,0,0]=4 8980 B13R2.10 O=C1C=C(CC1)c2cnccn2 271570a_100010737933_100000758340 [1,0,0,1,0,0|2,0,0]=4 8981 B13R2.10 O=C1C=C(CC1)c2cncnc2 271570a_100010737933_100011206942 [1,0,0,1,0,0|2,0,0]=4 8982 B13R2.10 O=C1C=C(CC1)c2ncccn2 271570a_100010737933_100000211032 [1,0,0,1,0,0|2,0,0]=4 8983 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,0,0,1,0,0|0,0,2]=4 8984 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,0,0,1,0,0|2,0,0]=4 8985 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,0,0,1,0,0|2,0,0]=4 8986 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,0,0,1,0,0|2,0,0]=4 8987 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,0,0,1,0,0|1,0,0]=3 8988 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,0,0,1,0,0|1,0,0]=3 8989 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,0,0,1,0,0|2,0,0]=4 8990 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,0,0,1,0,0|2,0,0]=4 8991 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,0,0,1,0,0|2,0,0]=4 8992 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,0,0,1,0,0|2,0,0]=4 8993 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,0,0,1,0,0|2,0,0]=4 8994 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,0,0,1,0,0|2,0,0]=4 8995 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,0,0,1,0,0|2,0,0]=4 8996 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,0,0,1,0,0|2,0,0]=4 8997 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,0,0,1,0,0|1,1,0]=4 8998 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,0,0,1,0,0|1,1,0]=4 8999 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,0,0,1,0,0|1,1,0]=4 9000 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,0,0,1,0,0|2,0,0]=4 9001 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,0,0,1,0,0|2,0,0]=4 9002 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,0,0,1,0,0|1,0,0]=3 9003 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,0,0,1,0,0|1,0,0]=3 9004 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,0,0,1,0,0|2,0,0]=4 9005 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,0,0,1,0,0|2,0,0]=4 9006 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,0,0,1,0,0|2,0,0]=4 9007 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,0,0,1,0,0|2,0,0]=4 9008 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,0,0,1,0,0|2,0,0]=4 9009 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,0,0,1,0,0|2,0,0]=4 9010 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,0,0,1,0,0|2,0,0]=4 9011 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,0,0,1,0,0|2,0,0]=4 9012 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,0,0,1,0,0|1,1,0]=4 9013 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,0,0,1,0,0|1,1,0]=4 9014 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,0,0,1,0,0|1,1,0]=4 9015 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [1,0,0,1,0,0|0,0,2]=4 9016 B13R2.26 CCSc1cc2ccccc2[nH]1 62a_100000210202_100010232065 [0,0,0,1,1,0|1,1,0]=4 9017 B13R2.26 CCSc1cc2ccccc2o1 62a_100000210202_100010159458 [0,0,0,1,1,0|0,1,1]=4 9018 B13R2.26 CCSc1cc2ccccc2s1 62a_100000210202_100009816949 [0,0,0,1,1,0|0,2,0]=4 9019 B13R2.444 O=C(Cc1ccccc1)C2CC2 1458a_100000210395_100015291786 [0,0,0,1,1,0|1,0,1]=4 9020 B13R2.444 O=C(Nc1ccccc1)C2CC2 11a_100000106764_100000210395 [0,0,0,1,1,0|2,0,0]=4 9021 B13R2.444 O=C(Nc1ccccc1)C2CC2 1626a_100000106764_100000210395 [0,0,0,1,1,0|2,0,0]=4 9022 B13R2.444 O=C(Nc1ccccc1)C2CC2 22a_100000106764_100000210395 [0,0,0,1,1,0|2,0,0]=4 9023 B13R2.444 O=C(Nc1ccccc1)C2CC2 527a_100000106764_100000210395 [0,0,0,1,1,0|2,0,0]=4 9024 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,0,0,1,1,0|2,0,0]=4 9025 B13R2.13 O=C1C=C(CCC1)c2cccs2 271570a_100000723966_100011215356 [0,0,0,1,1,0|2,0,0]=4 9026 B13R2.13 O=C1C=C(CCC1)c2ccoc2 271570a_100000723966_100011215275 [0,0,0,1,1,0|2,0,0]=4 9027 B13R2.13 O=C1C=C(CCC1)c2ccsc2 271570a_100000723966_100000738268 [0,0,0,1,1,0|2,0,0]=4 9028 B13R2.449 CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210202 [0,0,0,1,1,0|2,0,0]=4 9029 B13R2.449 CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210202 [0,0,0,1,1,0|2,0,0]=4 9030 B13R2.449 CCOc1ccc2ccoc2c1 34a_100000089557_100000210202 [0,0,0,1,1,0|2,0,0]=4 9031 B13R2.449 CCOc1ccc2ccoc2c1 7a_100000089557_100000210202 [0,0,0,1,1,0|2,0,0]=4 9032 B13R2.449 CCOc1ccc2occc2c1 34a_100000070125_100000210202 [0,0,0,1,1,0|2,0,0]=4 9033 B13R2.449 CCOc1ccc2occc2c1 7a_100000070125_100000210202 [0,0,0,1,1,0|2,0,0]=4 9034 B13R2.449 CCOc1ccc2sccc2c1 34a_100012180905_100000210202 [0,0,0,1,1,0|2,0,0]=4 9035 B13R2.449 CCOc1ccc2sccc2c1 7a_100012180905_100000210202 [0,0,0,1,1,0|2,0,0]=4 9036 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 2230a_100000131268_100015291786 [0,0,0,1,0,1|0,0,2]=4 9037 B15R2.31 O=C1CN(CCO1)Cc2ccccc2 270004a_100000131268_100015611070 [0,0,0,1,0,1|0,0,2]=4 9038 B15R2.55 O=C1OCCC1NCc2ccccc2 2230a_100015324214_100000211211 [0,0,0,1,0,1|0,0,2]=4 9039 B15R2.55 O=C1OCCC1NCc2ccccc2 34a_100015324214_100000211211 [0,0,0,1,0,1|0,0,2]=4 9040 B15R2.55 O=C1OCCC1OCc2ccccc2 34a_100000210790_100000211211 [0,0,0,1,0,1|0,0,2]=4 9041 B15R2.55 O=C1OCCC1OCc2ccccc2 7a_100000210790_100000211211 [0,0,0,1,0,1|0,0,2]=4 9042 B15R2.55 O=C1OCCC1SCc2ccccc2 62a_100000211182_100000211211 [0,0,0,1,0,1|0,0,2]=4 9043 B15R2.55 O=C1OCCC1SCc2ccccc2 62a_100000211211_100015291786 [0,0,0,1,0,1|0,0,2]=4 9044 B15R2.66 CCCc1ccc(s1)c2ccccc2 271570a_100011218836_100010157708 [0,0,0,1,0,1|1,1,0]=4 9045 B15R2.66 CCCc1ncc([nH]1)c2ccccc2 271570a_100011218836_200009820212 [0,0,0,1,0,1|2,0,0]=4 9046 B15R2.66 CCNc1nc(cs1)c2ccccc2 27a_100015525214_100011830410 [0,0,0,1,0,1|2,0,0]=4 9047 B15R2.66 CCNc1ncc(o1)c2ccccc2 27a_100015525214_100000729704 [0,0,0,1,0,1|1,0,1]=4 9048 B15R2.66 CCNc1ncc(s1)c2ccccc2 27a_100015525214_100000685549 [0,0,0,1,0,1|1,1,0]=4 9049 B15R2.66 CCOc1nc(cs1)c2ccccc2 271570a_100011218836_100011934640 [0,0,0,1,0,1|1,0,0]=3 9050 B15R2.66 CCOc1nc(cs1)c2ccccn2 271570a_100011264011_100011934640 [0,0,0,1,0,1|2,0,0]=4 9051 B15R2.66 CCOc1nc(cs1)c2cccnc2 271570a_100000757648_100011934640 [0,0,0,1,0,1|2,0,0]=4 9052 B15R2.66 CCOc1nc(cs1)c2ccncc2 271570a_100000752145_100011934640 [0,0,0,1,0,1|2,0,0]=4 9053 B15R2.66 CCSc1c[nH]c(n1)c2ccccc2 62a_100000210202_200010210587 [0,0,0,1,0,1|1,1,0]=4 9054 B15R2.66 CCSc1c[nH]c(n1)c2ccccc2 62a_200010210587_100000210202 [0,0,0,1,0,1|1,1,0]=4 9055 B15R2.66 CCSc1ccc(s1)c2ccccc2 62a_100000210202_100009814279 [0,0,0,1,0,1|0,2,0]=4 9056 B15R2.66 CCSc1ccc(s1)c2ccccc2 62a_100009814279_100000210202 [0,0,0,1,0,1|0,2,0]=4 9057 B15R2.66 CCSc1cnc(o1)c2ccccc2 62a_100000210202_100009814072 [0,0,0,1,0,1|0,1,1]=4 9058 B15R2.66 CCSc1cnc(s1)c2ccccc2 62a_100000210202_100000726391 [0,0,0,1,0,1|0,2,0]=4 9059 B15R2.66 CCSc1cnc(s1)c2ccccc2 62a_100000726391_100000210202 [0,0,0,1,0,1|0,2,0]=4 9060 B15R2.66 CCSc1coc(n1)c2ccccc2 62a_100000210202_100010163736 [0,0,0,1,0,1|1,1,0]=4 9061 B15R2.66 CCSc1coc(n1)c2ccccc2 62a_100010163736_100000210202 [0,0,0,1,0,1|1,1,0]=4 9062 B15R2.66 CCSc1nc(cs1)c2ccccc2 62a_100000210202_100011830410 [0,0,0,1,0,1|1,1,0]=4 9063 B15R2.66 CCSc1nc(cs1)c2ccccc2 62a_100011830410_100000210202 [0,0,0,1,0,1|1,1,0]=4 9064 B15R2.66 CCSc1ncc(o1)c2ccccc2 62a_100000210202_100000729704 [0,0,0,1,0,1|0,1,1]=4 9065 B15R2.66 CCSc1ncc(s1)c2ccccc2 62a_100000210202_100000685549 [0,0,0,1,0,1|0,2,0]=4 9066 B15R2.66 CCSc1ncc(s1)c2ccccc2 62a_100000685549_100000210202 [0,0,0,1,0,1|0,2,0]=4 9067 B15R2.73 CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210303 [0,0,0,1,0,1|1,0,0]=3 9068 B15R2.73 CCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210303 [0,0,0,1,0,1|1,0,0]=3 9069 B15R2.73 CCNC(=O)C1=CCc2c1cccc2 11a_100015525214_100000037392 [0,0,0,1,0,1|1,0,0]=3 9070 B15R2.73 CCNC(=O)C1=CCc2c1cccc2 240690a_100015525214_100000037392 [0,0,0,1,0,1|1,0,0]=3 9071 B15R2.73 CCNC(=O)C1C=Cc2c1cccc2 240690a_100015525214_200009832160 [0,0,0,1,0,1|1,0,0]=3 9072 B15R2.73 CCNC(=O)C1C=Cc2c1cccc2 527a_100015525214_200009832160 [0,0,0,1,0,1|1,0,0]=3 9073 B15R2.73 CNCC(=O)c1c[nH]c2c1cccc2 2230a_106832991635_100000183220 [0,0,0,1,0,1|2,0,0]=4 9074 B15R2.73 CNCC(=O)c1c[nH]c2c1cccc2 7a_106832991635_100000183220 [0,0,0,1,0,1|2,0,0]=4 9075 B15R2.73 CNCC(=O)c1csc2c1cccc2 2230a_106832991635_100000689783 [0,0,0,1,0,1|2,0,0]=4 9076 B15R2.73 CNCC(=O)c1csc2c1cccc2 7a_106832991635_100000689783 [0,0,0,1,0,1|2,0,0]=4 9077 B15R2.73 CNNC(=O)C1=CCc2c1cccc2 22a_100016993582_100000037392 [0,0,0,1,0,1|2,0,0]=4 9078 B15R2.73 CSCC(=O)c1c[nH]c2c1cccc2 62a_200000210301_100000183220 [0,0,0,1,0,1|2,0,0]=4 9079 B15R2.73 CSCC(=O)c1coc2c1cccc2 62a_100000233777_200000210301 [0,0,0,1,0,1|2,0,0]=4 9080 B15R2.73 CSCC(=O)c1csc2c1cccc2 62a_100000689783_200000210301 [0,0,0,1,0,1|2,0,0]=4 9081 B15R2.73 O=C(CCF)C1=CCc2c1cccc2 1458a_100000037392_100011217306 [0,0,0,1,0,1|2,0,0]=4 9082 B15R2.73 O=C(CCF)C1C=Cc2c1cccc2 1458a_200009832160_100011217306 [0,0,0,1,0,1|2,0,0]=4 9083 B15R2.73 O=C(CCO)C1=CCc2c1cccc2 1458a_100000037392_100000211926 [0,0,0,1,0,1|2,0,0]=4 9084 B15R2.73 O=C(CCO)C1C=Cc2c1cccc2 1458a_200009832160_100000211926 [0,0,0,1,0,1|2,0,0]=4 9085 B15R2.73 [13CH3]SCC(=O)c1c[nH]c2c1cccc2 62a_200025704644_100000183220 [0,0,0,1,0,1|2,0,0]=4 9086 B15R2.73 [13CH3]SCC(=O)c1coc2c1cccc2 62a_100000233777_200025704644 [0,0,0,1,0,1|2,0,0]=4 9087 B15R2.73 [13CH3]SCC(=O)c1csc2c1cccc2 62a_100000689783_200025704644 [0,0,0,1,0,1|2,0,0]=4 9088 B15R2.1342 CCOC(=O)C1CC1c2ccccc2 271570a_100010780539_100000210277 [0,0,0,1,0,1|0,0,2]=4 9089 B15R2.16438 O=C(C/C=C/c1ccccc1)C2CC2 1458a_100000210395_100016265936 [0,0,0,1,0,1|1,0,0]=3 9090 B15R2.16438 O=C(C/C=C/c1ccccc1)C2CO2 1458a_100000701028_100016265936 [0,0,0,1,0,1|2,0,0]=4 9091 B15R2.16438 O=C(NN=Cc1ccccc1)C2CC2 4a_100000183419_100015611070 [0,0,0,1,0,1|2,0,0]=4 9092 B15R2.27 Cc1cc(cc(=O)[nH]1)c2ccccc2 271570a_100011218836_100009861981 [0,1,0,1,0,0|1,0,1]=4 9093 B15R2.395 CN(c1ccccc1)C2CCOC2=O 2230a_100000210012_100000211211 [0,1,0,1,0,0|1,0,1]=4 9094 B15R2.395 CN(c1ccccc1)C2CCOC2=O 269982a_100000210012_100000211211 [0,1,0,1,0,0|1,0,1]=4 9095 B15R2.395 CN(c1ccccc1)C2CCOC2=O 34a_100000210012_100000211211 [0,1,0,1,0,0|1,0,1]=4 9096 B15R2.395 O=C1CCCC1C(=O)c2ccccc2 1458a_100000185807_100000211823 [0,1,0,1,0,0|1,0,1]=4 9097 B15R2.395 O=C1OCCC1C(=O)c2ccccc2 1458a_100000185807_100000211211 [0,1,0,1,0,0|0,0,1]=3 9098 B15R2.886 CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210202 [0,1,0,1,0,0|2,0,0]=4 9099 B15R2.886 CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210202 [0,1,0,1,0,0|2,0,0]=4 9100 B15R2.886 CCNc1cc(c2ccccc2n1)C 27a_100015525214_100000184993 [0,1,0,1,0,0|2,0,0]=4 9101 B15R2.886 CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210202 [0,1,0,1,0,0|2,0,0]=4 9102 B15R2.886 CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210202 [0,1,0,1,0,0|1,0,0]=3 9103 B15R2.886 CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210202 [0,1,0,1,0,0|1,0,0]=3 9104 B15R2.886 CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210202 [0,1,0,1,0,0|2,0,0]=4 9105 B15R2.886 CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210202 [0,1,0,1,0,0|2,0,0]=4 9106 B15R2.886 CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210202 [0,1,0,1,0,0|2,0,0]=4 9107 B15R2.886 CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210202 [0,1,0,1,0,0|2,0,0]=4 9108 B15R2.886 CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210202 [0,1,0,1,0,0|2,0,0]=4 9109 B15R2.886 CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210202 [0,1,0,1,0,0|2,0,0]=4 9110 B15R2.886 CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210202 [0,1,0,1,0,0|2,0,0]=4 9111 B15R2.886 CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210202_100000090176 [0,1,0,1,0,0|1,1,0]=4 9112 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100000210202_100010171453 [0,1,0,1,0,0|1,1,0]=4 9113 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210202 [0,1,0,1,0,0|1,1,0]=4 9114 B15R2.886 CCSc1cc(c2ccccc2c1)O 62a_100000210202_100010089979 [0,1,0,1,0,0|1,1,0]=4 9115 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100000210202_100000184993 [0,1,0,1,0,0|1,1,0]=4 9116 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210202 [0,1,0,1,0,0|1,1,0]=4 9117 B15R2.886 CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210202 [0,1,0,1,0,0|1,1,0]=4 9118 B15R2.886 FCOc1cc(c2ccccc2c1)Br 34a_100010001680_100015361967 [0,1,0,1,0,0|2,0,0]=4 9119 B15R2.886 FCOc1cc(c2ccccc2c1)Br 7a_100010001680_100015361967 [0,1,0,1,0,0|2,0,0]=4 9120 B15R2.2248 CCn1nc([nH]c1=O)c2ccccc2 271570a_100011218836_100009830087 [0,1,0,1,0,0|2,0,0]=4 9121 B15R2.2248 CCn1nc(cc1C)c2ccccc2 271570a_100011218836_100010781242 [0,1,0,1,0,0|2,0,0]=4 9122 B15R2.41154 O=C(CC(=O)C1CC1)c2ccccc2 1458a_100000185807_100000746382 [0,1,0,1,0,0|1,0,1]=4 9123 B15R2.41154 O=C(CC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000211460 [0,1,0,1,0,0|1,0,1]=4 9124 B15R2.30 C[n+]1cccc(c1)C2=CC(=O)CCC2 271570a_100000723966_100009996589 [0,1,0,1,0,0|2,0,0]=4 9125 B15R2.30 Cc1cc(ccn1)C2=CC(=O)CCC2 271570a_100000723966_100000758586 [0,1,0,1,0,0|2,0,0]=4 9126 B15R2.30 Cc1cccc(c1)C2=CC(=O)CCC2 271570a_100000723966_100011215228 [0,1,0,1,0,0|1,0,0]=3 9127 B15R2.30 Cc1cccc(n1)C2=CC(=O)CCC2 271570a_100000723966_100000742759 [0,1,0,1,0,0|2,0,0]=4 9128 B15R2.30 Cc1ccnc(c1)C2=CC(=O)CCC2 271570a_100000723966_100000750283 [0,1,0,1,0,0|2,0,0]=4 9129 B15R2.30 Cc1cncc(c1)C2=CC(=O)CCC2 271570a_100000723966_100000760492 [0,1,0,1,0,0|2,0,0]=4 9130 B15R2.30 Nc1cc(ccn1)C2=CC(=O)CCC2 271570a_100000723966_100000744379 [0,1,0,1,0,0|2,0,0]=4 9131 B15R2.30 Nc1cccc(c1)C2=CC(=O)CCC2 271570a_100000723966_100000210019 [0,1,0,1,0,0|1,0,0]=3 9132 B15R2.30 Nc1cccc(n1)C2=CC(=O)CCC2 271570a_100000723966_100000740741 [0,1,0,1,0,0|2,0,0]=4 9133 B15R2.30 Nc1ccnc(c1)C2=CC(=O)CCC2 271570a_100000723966_100009814236 [0,1,0,1,0,0|2,0,0]=4 9134 B15R2.30 Nc1cncc(c1)C2=CC(=O)CCC2 271570a_100000723966_100000687067 [0,1,0,1,0,0|2,0,0]=4 9135 B15R2.30 O=C1C=C(CCC1)c2cc(ccn2)Cl 271570a_100000723966_100010167805 [0,1,0,1,0,0|2,0,0]=4 9136 B15R2.30 O=C1C=C(CCC1)c2cc(ccn2)F 271570a_100000723966_100009817058 [0,1,0,1,0,0|2,0,0]=4 9137 B15R2.30 O=C1C=C(CCC1)c2cc(ccn2)O 271570a_100000723966_100000762945 [0,1,0,1,0,0|2,0,0]=4 9138 B15R2.30 O=C1C=C(CCC1)c2cc[nH]c(=O)c2 271570a_100000723966_100009816521 [0,1,0,1,0,0|2,0,0]=4 9139 B15R2.30 O=C1C=C(CCC1)c2ccc[n+](c2)[O-] 271570a_100000723966_100009815978 [0,1,0,1,0,0|2,0,0]=4 9140 B15R2.30 O=C1C=C(CCC1)c2cccc(=O)[nH]2 271570a_100000723966_100000761760 [0,1,0,1,0,0|2,0,0]=4 9141 B15R2.30 O=C1C=C(CCC1)c2cccc(c2)Br 271570a_100000723966_100000691529 [0,1,0,1,0,0|1,0,0]=3 9142 B15R2.30 O=C1C=C(CCC1)c2cccc(c2)Cl 271570a_100000723966_100000699651 [0,1,0,1,0,0|1,0,0]=3 9143 B15R2.30 O=C1C=C(CCC1)c2cccc(c2)F 271570a_100000723966_100000685547 [0,1,0,1,0,0|1,0,0]=3 9144 B15R2.30 O=C1C=C(CCC1)c2cccc(c2)O 271570a_100000723966_100000211634 [0,1,0,1,0,0|1,0,0]=3 9145 B15R2.30 O=C1C=C(CCC1)c2cccc(c2)[S] 271570a_100000723966_114929384022 [0,1,0,1,0,0|1,0,0]=3 9146 B15R2.30 O=C1C=C(CCC1)c2cccc(n2)Br 271570a_100000723966_100000684672 [0,1,0,1,0,0|2,0,0]=4 9147 B15R2.30 O=C1C=C(CCC1)c2cccc(n2)F 271570a_100000723966_100009815982 [0,1,0,1,0,0|2,0,0]=4 9148 B15R2.30 O=C1C=C(CCC1)c2ccnc(c2)Br 271570a_100000723966_100009814637 [0,1,0,1,0,0|2,0,0]=4 9149 B15R2.30 O=C1C=C(CCC1)c2ccnc(c2)Cl 271570a_100000723966_100000035001 [0,1,0,1,0,0|2,0,0]=4 9150 B15R2.30 O=C1C=C(CCC1)c2ccnc(c2)F 271570a_100000723966_100009816116 [0,1,0,1,0,0|2,0,0]=4 9151 B15R2.30 O=C1C=C(CCC1)c2cncc(c2)Br 271570a_100000723966_100000728054 [0,1,0,1,0,0|2,0,0]=4 9152 B15R2.30 O=C1C=C(CCC1)c2cncc(c2)Cl 271570a_100000723966_100000049639 [0,1,0,1,0,0|2,0,0]=4 9153 B15R2.30 O=C1C=C(CCC1)c2cncc(c2)F 271570a_100000723966_100000744099 [0,1,0,1,0,0|2,0,0]=4 9154 B15R2.30 O=C1C=C(CCC1)c2cncc(c2)O 271570a_100000723966_100000754920 [0,1,0,1,0,0|2,0,0]=4 9155 B15R2.335 Cc1cccc(c1)NC2CCOC2=O 2230a_100000188690_100000211211 [0,1,0,1,0,0|1,0,1]=4 9156 B15R2.335 Cc1cccc(c1)NC2CCOC2=O 34a_100000188690_100000211211 [0,1,0,1,0,0|1,0,1]=4 9157 B15R2.335 Cc1cccc(c1)OC2CCOC2=O 34a_100000210337_100000211211 [0,1,0,1,0,0|1,0,1]=4 9158 B15R2.335 Cc1cccc(c1)OC2CCOC2=O 7a_100000210337_100000211211 [0,1,0,1,0,0|1,0,1]=4 9159 B15R2.335 Cc1cccc(c1)SC2CCOC2=O 62a_100000211211_100011215228 [0,1,0,1,0,0|1,0,1]=4 9160 B15R2.335 Cc1cccc(c1)SC2CCOC2=O 62a_100011215228_100000211211 [0,1,0,1,0,0|1,0,1]=4 9161 B15R2.335 Nc1cccc(c1)OC2CCOC2=O 34a_100000210217_100000211211 [0,1,0,1,0,0|1,0,1]=4 9162 B15R2.335 Nc1cccc(c1)SC2CCOC2=O 62a_100000210019_100000211211 [0,1,0,1,0,0|1,0,1]=4 9163 B15R2.335 Nc1cccc(c1)SC2CCOC2=O 62a_100000211211_100000210019 [0,1,0,1,0,0|1,0,1]=4 9164 B15R2.335 O=C1OCCC1Nc2cccc(c2)Br 34a_100000210019_100000211211 [0,1,0,1,0,0|1,0,1]=4 9165 B15R2.335 O=C1OCCC1Nc2cccc(c2)Cl 34a_100000185859_100000211211 [0,1,0,1,0,0|1,0,1]=4 9166 B15R2.335 O=C1OCCC1Nc2cccc(c2)F 34a_100000210047_100000211211 [0,1,0,1,0,0|1,0,1]=4 9167 B15R2.335 O=C1OCCC1Nc2cccc(c2)I 34a_100000211102_100000211211 [0,1,0,1,0,0|1,0,1]=4 9168 B15R2.335 O=C1OCCC1Nc2cccc(c2)O 34a_100000210217_100000211211 [0,1,0,1,0,0|1,0,1]=4 9169 B15R2.335 O=C1OCCC1Oc2cccc(c2)Br 34a_100000210342_100000211211 [0,1,0,1,0,0|1,0,1]=4 9170 B15R2.335 O=C1OCCC1Oc2cccc(c2)Br 7a_100000210342_100000211211 [0,1,0,1,0,0|1,0,1]=4 9171 B15R2.335 O=C1OCCC1Oc2cccc(c2)Cl 34a_100000210295_100000211211 [0,1,0,1,0,0|1,0,1]=4 9172 B15R2.335 O=C1OCCC1Oc2cccc(c2)Cl 7a_100000210295_100000211211 [0,1,0,1,0,0|1,0,1]=4 9173 B15R2.335 O=C1OCCC1Oc2cccc(c2)F 34a_100000210426_100000211211 [0,1,0,1,0,0|1,0,1]=4 9174 B15R2.335 O=C1OCCC1Oc2cccc(c2)F 7a_100000210426_100000211211 [0,1,0,1,0,0|1,0,1]=4 9175 B15R2.335 O=C1OCCC1Oc2cccc(c2)I 34a_100000211634_100000211211 [0,1,0,1,0,0|1,0,1]=4 9176 B15R2.335 O=C1OCCC1Oc2cccc(c2)I 7a_100000211634_100000211211 [0,1,0,1,0,0|1,0,1]=4 9177 B15R2.335 O=C1OCCC1Sc2cccc(c2)Br 62a_100000211211_100000691529 [0,1,0,1,0,0|1,0,1]=4 9178 B15R2.335 O=C1OCCC1Sc2cccc(c2)Br 62a_100000691529_100000211211 [0,1,0,1,0,0|1,0,1]=4 9179 B15R2.335 O=C1OCCC1Sc2cccc(c2)Cl 62a_100000211211_100000699651 [0,1,0,1,0,0|1,0,1]=4 9180 B15R2.335 O=C1OCCC1Sc2cccc(c2)Cl 62a_100000699651_100000211211 [0,1,0,1,0,0|1,0,1]=4 9181 B15R2.335 O=C1OCCC1Sc2cccc(c2)F 62a_100000211211_100000685547 [0,1,0,1,0,0|1,0,1]=4 9182 B15R2.335 O=C1OCCC1Sc2cccc(c2)F 62a_100000685547_100000211211 [0,1,0,1,0,0|1,0,1]=4 9183 B15R2.335 O=C1OCCC1Sc2cccc(c2)O 62a_100000211211_100000211634 [0,1,0,1,0,0|1,0,1]=4 9184 B15R2.335 O=C1OCCC1Sc2cccc(c2)[S] 62a_100000211211_114929384022 [0,1,0,1,0,0|1,0,1]=4 9185 B15R2.335 O=C1OCCC1Sc2cccc(c2)[S] 62a_114929384022_100000211211 [0,1,0,1,0,0|1,0,1]=4 9186 B15R2.1290 CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210202 [0,1,0,1,0,0|2,0,0]=4 9187 B15R2.1290 CCNc1ccc2cccc(c2n1)C 27a_100015525214_100012002297 [0,1,0,1,0,0|2,0,0]=4 9188 B15R2.1290 CCNc1ccc2cccc(c2n1)O 27a_100015525214_100010153751 [0,1,0,1,0,0|2,0,0]=4 9189 B15R2.1290 CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210202 [0,1,0,1,0,0|1,0,0]=3 9190 B15R2.1290 CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210202 [0,1,0,1,0,0|1,0,0]=3 9191 B15R2.1290 CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210202 [0,1,0,1,0,0|1,0,0]=3 9192 B15R2.1290 CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210202 [0,1,0,1,0,0|1,0,0]=3 9193 B15R2.1290 CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210202 [0,1,0,1,0,0|1,0,0]=3 9194 B15R2.1290 CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210202 [0,1,0,1,0,0|1,0,0]=3 9195 B15R2.1290 CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210202 [0,1,0,1,0,0|1,0,0]=3 9196 B15R2.1290 CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210202 [0,1,0,1,0,0|1,0,0]=3 9197 B15R2.1290 CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210202 [0,1,0,1,0,0|2,0,0]=4 9198 B15R2.1290 CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210202 [0,1,0,1,0,0|2,0,0]=4 9199 B15R2.1290 CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210202 [0,1,0,1,0,0|2,0,0]=4 9200 B15R2.1290 CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210202 [0,1,0,1,0,0|2,0,0]=4 9201 B15R2.1290 CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210202 [0,1,0,1,0,0|2,0,0]=4 9202 B15R2.1290 CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210202 [0,1,0,1,0,0|2,0,0]=4 9203 B15R2.1290 CCOc1ccc2nccc(c2c1)O 271570a_203496583355_100012360437 [0,1,0,1,0,0|2,0,0]=4 9204 B15R2.1290 CCSc1ccc2cccc(c2c1)C 62a_100000210202_100010089936 [0,1,0,1,0,0|1,1,0]=4 9205 B15R2.1290 CCSc1ccc2cccc(c2c1)N 62a_100000210202_100010090012 [0,1,0,1,0,0|1,1,0]=4 9206 B15R2.1290 CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210202 [0,1,0,1,0,0|1,1,0]=4 9207 B15R2.1290 CCSc1ccc2cccc(c2c1)O 62a_100000210202_100010089991 [0,1,0,1,0,0|1,1,0]=4 9208 B15R2.1290 CCSc1ccc2cccc(c2n1)C 62a_100000210202_100012002297 [0,1,0,1,0,0|1,1,0]=4 9209 B15R2.1290 CCSc1ccc2cccc(c2n1)F 62a_100000210202_100012017632 [0,1,0,1,0,0|1,1,0]=4 9210 B15R2.1290 CCSc1ccc2cccc(c2n1)O 62a_100000210202_100000013812 [0,1,0,1,0,0|1,1,0]=4 9211 B15R2.1290 Cc1cccc2c1cc(cc2)OCF 34a_200000091600_100015361967 [0,1,0,1,0,0|2,0,0]=4 9212 B15R2.1290 Cc1cccc2c1cc(cc2)OCF 7a_200000091600_100015361967 [0,1,0,1,0,0|2,0,0]=4 9213 B15R2.1290 FCOc1ccc2cccc(c2c1)Br 34a_100010169565_100015361967 [0,1,0,1,0,0|2,0,0]=4 9214 B15R2.1290 FCOc1ccc2cccc(c2c1)Br 7a_100010169565_100015361967 [0,1,0,1,0,0|2,0,0]=4 9215 B15R2.1290 FCOc1ccc2cccc(c2c1)F 34a_100000091619_100015361967 [0,1,0,1,0,0|2,0,0]=4 9216 B15R2.1290 FCOc1ccc2cccc(c2c1)F 7a_100000091619_100015361967 [0,1,0,1,0,0|2,0,0]=4 9217 B15R2.1290 Nc1cccc2c1cc(cc2)OCF 34a_100000034012_100015361967 [0,1,0,1,0,0|2,0,0]=4 9218 B15R2.1290 Nc1cccc2c1cc(cc2)OCF 7a_100000034012_100015361967 [0,1,0,1,0,0|2,0,0]=4 9219 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210202 [0,1,0,1,0,0|2,0,0]=4 9220 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210202 [0,1,0,1,0,0|2,0,0]=4 9221 B15R2.10252 CCNc1ccc2cc(ccc2n1)C 27a_100015525214_100011865911 [0,1,0,1,0,0|2,0,0]=4 9222 B15R2.10252 CCNc1ccc2cc(ccc2n1)F 27a_100015525214_100011998705 [0,1,0,1,0,0|2,0,0]=4 9223 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210202 [0,1,0,1,0,0|1,0,0]=3 9224 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210202 [0,1,0,1,0,0|1,0,0]=3 9225 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210202 [0,1,0,1,0,0|1,0,0]=3 9226 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210202 [0,1,0,1,0,0|1,0,0]=3 9227 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210202 [0,1,0,1,0,0|1,0,0]=3 9228 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210202 [0,1,0,1,0,0|1,0,0]=3 9229 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210202 [0,1,0,1,0,0|1,0,0]=3 9230 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210202 [0,1,0,1,0,0|1,0,0]=3 9231 B15R2.10252 CCOc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170440 [0,1,0,1,0,0|1,0,0]=3 9232 B15R2.10252 CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210202 [0,1,0,1,0,0|2,0,0]=4 9233 B15R2.10252 CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210202 [0,1,0,1,0,0|2,0,0]=4 9234 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210202 [0,1,0,1,0,0|2,0,0]=4 9235 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210202 [0,1,0,1,0,0|2,0,0]=4 9236 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210202 [0,1,0,1,0,0|2,0,0]=4 9237 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210202 [0,1,0,1,0,0|2,0,0]=4 9238 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210202 [0,1,0,1,0,0|2,0,0]=4 9239 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210202 [0,1,0,1,0,0|2,0,0]=4 9240 B15R2.10252 CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210202 [0,1,0,1,0,0|2,0,0]=4 9241 B15R2.10252 CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210202 [0,1,0,1,0,0|2,0,0]=4 9242 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100000210202_100012344972 [0,1,0,1,0,0|1,1,0]=4 9243 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210202 [0,1,0,1,0,0|1,1,0]=4 9244 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100000210202_100009817052 [0,1,0,1,0,0|1,1,0]=4 9245 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210202 [0,1,0,1,0,0|1,1,0]=4 9246 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210202 [0,1,0,1,0,0|1,1,0]=4 9247 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000210202_100000185457 [0,1,0,1,0,0|1,1,0]=4 9248 B15R2.10252 CCSc1ccc2cc(ccc2c1)O 62a_100000210202_100000185455 [0,1,0,1,0,0|1,1,0]=4 9249 B15R2.10252 CCSc1ccc2cc(ccc2n1)C 62a_100000210202_100011865911 [0,1,0,1,0,0|1,1,0]=4 9250 B15R2.10252 CCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210202 [0,1,0,1,0,0|1,1,0]=4 9251 B15R2.10252 CCSc1ccc2cc(ccc2n1)F 62a_100000210202_100011998705 [0,1,0,1,0,0|1,1,0]=4 9252 B15R2.10252 CCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210202 [0,1,0,1,0,0|1,1,0]=4 9253 B15R2.10252 CCSc1ccc2cc(ccc2n1)O 62a_100000210202_100009849208 [0,1,0,1,0,0|1,1,0]=4 9254 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 34a_100000074090_100015361967 [0,1,0,1,0,0|2,0,0]=4 9255 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 7a_100000074090_100015361967 [0,1,0,1,0,0|2,0,0]=4 9256 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015361967 [0,1,0,1,0,0|2,0,0]=4 9257 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015361967 [0,1,0,1,0,0|2,0,0]=4 9258 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015361967 [0,1,0,1,0,0|2,0,0]=4 9259 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015361967 [0,1,0,1,0,0|2,0,0]=4 9260 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015361967 [0,1,0,1,0,0|2,0,0]=4 9261 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015361967 [0,1,0,1,0,0|2,0,0]=4 9262 B15R2.888 CCNc1cc2ccccc2cc1Br 34a_100009991566_100000210202 [0,1,0,1,0,0|2,0,0]=4 9263 B15R2.888 CCNc1cc2ccccc2cc1Br 7a_100009991566_100000210202 [0,1,0,1,0,0|2,0,0]=4 9264 B15R2.888 CCNc1nc2ccccc2cc1C 27a_100015525214_100000751756 [0,1,0,1,0,0|2,0,0]=4 9265 B15R2.888 CCOc1cc2ccccc2cc1Br 34a_100009817189_100000210202 [0,1,0,1,0,0|1,0,0]=3 9266 B15R2.888 CCOc1cc2ccccc2cc1Br 7a_100009817189_100000210202 [0,1,0,1,0,0|1,0,0]=3 9267 B15R2.888 CCOc1cc2ccccc2cc1C 34a_100000091601_100000210202 [0,1,0,1,0,0|1,0,0]=3 9268 B15R2.888 CCOc1cc2ccccc2cc1C 7a_100000091601_100000210202 [0,1,0,1,0,0|1,0,0]=3 9269 B15R2.888 CCOc1cc2ccccc2cc1N 34a_106744474703_100000210202 [0,1,0,1,0,0|1,0,0]=3 9270 B15R2.888 CCOc1cc2ccccc2cc1N 7a_106744474703_100000210202 [0,1,0,1,0,0|1,0,0]=3 9271 B15R2.888 CCOc1cc2ccccc2nc1C 34a_200000079175_100000210202 [0,1,0,1,0,0|2,0,0]=4 9272 B15R2.888 CCOc1cc2ccccc2nc1C 7a_200000079175_100000210202 [0,1,0,1,0,0|2,0,0]=4 9273 B15R2.888 CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210202 [0,1,0,1,0,0|2,0,0]=4 9274 B15R2.888 CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210202 [0,1,0,1,0,0|2,0,0]=4 9275 B15R2.888 CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210202 [0,1,0,1,0,0|2,0,0]=4 9276 B15R2.888 CCOc1cc2cccnc2cc1Br 34a_200010153759_100000210202 [0,1,0,1,0,0|2,0,0]=4 9277 B15R2.888 CCOc1cc2cccnc2cc1Br 7a_200010153759_100000210202 [0,1,0,1,0,0|2,0,0]=4 9278 B15R2.888 CCSc1cc2ccccc2cc1Br 62a_100000210202_200010169544 [0,1,0,1,0,0|1,1,0]=4 9279 B15R2.888 CCSc1cc2ccccc2cc1Br 62a_200010169544_100000210202 [0,1,0,1,0,0|1,1,0]=4 9280 B15R2.888 CCSc1cc2ccccc2cc1Cl 62a_100000210202_100010152806 [0,1,0,1,0,0|1,1,0]=4 9281 B15R2.888 CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210202 [0,1,0,1,0,0|1,1,0]=4 9282 B15R2.888 CCSc1cc2ccccc2cc1N 62a_100000210202_100009991566 [0,1,0,1,0,0|1,1,0]=4 9283 B15R2.888 CCSc1cc2ccccc2cc1N 62a_100009991566_100000210202 [0,1,0,1,0,0|1,1,0]=4 9284 B15R2.888 CCSc1cc2ccccc2cc1O 62a_100000210202_100009817189 [0,1,0,1,0,0|1,1,0]=4 9285 B15R2.888 CCSc1nc2ccccc2cc1Br 62a_100000210202_100010072790 [0,1,0,1,0,0|1,1,0]=4 9286 B15R2.888 CCSc1nc2ccccc2cc1Br 62a_100010072790_100000210202 [0,1,0,1,0,0|1,1,0]=4 9287 B15R2.888 CCSc1nc2ccccc2cc1C 62a_100000210202_100000751756 [0,1,0,1,0,0|1,1,0]=4 9288 B15R2.888 CCSc1nc2ccccc2cc1O 62a_100000210202_200000100762 [0,1,0,1,0,0|1,1,0]=4 9289 B15R2.888 Cc1cc2ccccc2cc1OCF 34a_100000091601_100015361967 [0,1,0,1,0,0|2,0,0]=4 9290 B15R2.888 Cc1cc2ccccc2cc1OCF 7a_100000091601_100015361967 [0,1,0,1,0,0|2,0,0]=4 9291 B15R2.888 FCOc1cc2ccccc2cc1Br 34a_100009817189_100015361967 [0,1,0,1,0,0|2,0,0]=4 9292 B15R2.888 FCOc1cc2ccccc2cc1Br 7a_100009817189_100015361967 [0,1,0,1,0,0|2,0,0]=4 9293 B15R2.888 Nc1cc2ccccc2cc1OCF 34a_106744474703_100015361967 [0,1,0,1,0,0|2,0,0]=4 9294 B15R2.888 Nc1cc2ccccc2cc1OCF 7a_106744474703_100015361967 [0,1,0,1,0,0|2,0,0]=4 9295 B15R2.1356 CCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210303 [0,1,0,1,0,0|1,0,0]=3 9296 B15R2.1356 CCNC(=O)C1=Cc2ccccc2C1 11a_100015525214_100009862756 [0,1,0,1,0,0|1,0,0]=3 9297 B15R2.1356 CCNC(=O)C1=Cc2ccccc2C1 240690a_100015525214_100009862756 [0,1,0,1,0,0|1,0,0]=3 9298 B15R2.1356 CCOC(C)c1cc2ccccc2o1 34a_100000198572_100000210202 [0,1,0,1,0,0|1,0,1]=4 9299 B15R2.1356 CCOC(C)c1cc2ccccc2o1 7a_100000198572_100000210202 [0,1,0,1,0,0|1,0,1]=4 9300 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 2230a_106832991635_100012351422 [0,1,0,1,0,0|2,0,0]=4 9301 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 7a_106832991635_100012351422 [0,1,0,1,0,0|2,0,0]=4 9302 B15R2.1356 CNNC(=O)C1=Cc2ccccc2C1 22a_100016993582_100009862756 [0,1,0,1,0,0|2,0,0]=4 9303 B15R2.1356 CSCC(=O)c1cc2ccccc2o1 62a_200000210301_100000209828 [0,1,0,1,0,0|2,0,0]=4 9304 B15R2.1356 CSCC(=O)c1cc2ccccc2s1 62a_100012351422_200000210301 [0,1,0,1,0,0|2,0,0]=4 9305 B15R2.1356 O=C(CCF)C1=Cc2ccccc2C1 1458a_100009862756_100011217306 [0,1,0,1,0,0|2,0,0]=4 9306 B15R2.1356 O=C(CCO)C1=Cc2ccccc2C1 1458a_100009862756_100000211926 [0,1,0,1,0,0|2,0,0]=4 9307 B15R2.1356 [13CH3]SCC(=O)c1cc2ccccc2o1 62a_200025704644_100000209828 [0,1,0,1,0,0|2,0,0]=4 9308 B15R2.1356 [13CH3]SCC(=O)c1cc2ccccc2s1 62a_100012351422_200025704644 [0,1,0,1,0,0|2,0,0]=4 9309 B15R2.16 CCn1nc(cc1c2ccccc2)C 271570a_100000729598_100000210277 [0,1,0,1,0,0|2,0,0]=4 9310 B15R2.283 Cc1nc(no1)C=Cc2ccccc2 270196a_100000735103_100000070787 [0,1,0,1,0,0|1,0,1]=4 9311 B15R2.283 Cc1nc(no1)C=Cc2ccccc2 271570a_100102527694_100012003639 [0,1,0,1,0,0|1,0,1]=4 9312 B15R2.283 Cc1nnc(o1)C=Cc2ccccc2 271570a_100102527694_100000708914 [0,1,0,1,0,0|1,0,1]=4 9313 B15R2.352 C#CCOc1ccc2ccccc2c1 34a_100000185828_100000184674 [0,1,0,1,0,0|1,0,1]=4 9314 B15R2.352 C#CCOc1ccc2ccccc2c1 7a_100000185828_100000038162 [0,1,0,1,0,0|1,0,1]=4 9315 B15R2.352 C=CCOc1ccc2ccccc2c1 34a_100000185828_100015514636 [0,1,0,1,0,0|1,0,1]=4 9316 B15R2.352 C=CCOc1ccc2ccccc2c1 7a_100000185828_100015514636 [0,1,0,1,0,0|1,0,1]=4 9317 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [0,1,0,1,0,0|2,0,0]=4 9318 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [0,1,0,1,0,0|2,0,0]=4 9319 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [0,1,0,1,0,0|2,0,0]=4 9320 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [0,1,0,1,0,0|2,0,0]=4 9321 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [0,1,0,1,0,0|1,0,0]=3 9322 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [0,1,0,1,0,0|1,0,0]=3 9323 B15R2.352 CCCOc1ccc2cccnc2c1 34a_100011216045_100000210303 [0,1,0,1,0,0|2,0,0]=4 9324 B15R2.352 CCCOc1ccc2ccncc2c1 7a_100000752006_100000210303 [0,1,0,1,0,0|2,0,0]=4 9325 B15R2.352 CCCOc1ccc2cnccc2c1 34a_100000046372_100000210303 [0,1,0,1,0,0|2,0,0]=4 9326 B15R2.352 CCCOc1ccc2cnccc2c1 7a_100000046372_100000210303 [0,1,0,1,0,0|2,0,0]=4 9327 B15R2.352 CCCOc1ccc2ncccc2c1 34a_100011215586_100000210303 [0,1,0,1,0,0|2,0,0]=4 9328 B15R2.352 CCCOc1ccc2ncccc2c1 7a_100011215586_100000210303 [0,1,0,1,0,0|2,0,0]=4 9329 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [0,1,0,1,0,0|2,0,0]=4 9330 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [0,1,0,1,0,0|2,0,0]=4 9331 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [0,1,0,1,0,0|1,1,0]=4 9332 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [0,1,0,1,0,0|1,1,0]=4 9333 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [0,1,0,1,0,0|1,1,0]=4 9334 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [0,1,0,1,0,0|2,0,0]=4 9335 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [0,1,0,1,0,0|2,0,0]=4 9336 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [0,1,0,1,0,0|2,0,0]=4 9337 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [0,1,0,1,0,0|2,0,0]=4 9338 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [0,1,0,1,0,0|2,0,0]=4 9339 B15R2.352 CCNCc1ccc2ccccc2n1 207a_100015525214_100000759686 [0,1,0,1,0,0|2,0,0]=4 9340 B15R2.352 CCNCc1ccc2ccccc2n1 2230a_100015525214_100000737579 [0,1,0,1,0,0|2,0,0]=4 9341 B15R2.352 CCNCc1ccc2ccccc2n1 270004a_100015525214_100000759686 [0,1,0,1,0,0|2,0,0]=4 9342 B15R2.352 CCOCc1cc2ccccc2cn1 34a_100121572206_100009869231 [0,1,0,1,0,0|2,0,0]=4 9343 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [0,1,0,1,0,0|1,0,0]=3 9344 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [0,1,0,1,0,0|1,0,0]=3 9345 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [0,1,0,1,0,0|1,0,0]=3 9346 B15R2.352 CCOCc1ccc2ccccc2n1 34a_100121572206_100000737579 [0,1,0,1,0,0|1,0,0]=3 9347 B15R2.352 CCOCc1ccc2cnccc2c1 34a_100121572206_100020605334 [0,1,0,1,0,0|2,0,0]=4 9348 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100011315636_100000210202 [0,1,0,1,0,0|2,0,0]=4 9349 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100121572206_100000703657 [0,1,0,1,0,0|2,0,0]=4 9350 B15R2.352 CCOCc1cnc2ccccc2c1 34a_100011258773_100000210202 [0,1,0,1,0,0|2,0,0]=4 9351 B15R2.352 CCOCc1ncc2ccccc2n1 34a_100121572206_100009868571 [0,1,0,1,0,0|2,0,0]=4 9352 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [0,1,0,1,0,0|1,1,0]=4 9353 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [0,1,0,1,0,0|1,1,0]=4 9354 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000210202_100000737579 [0,1,0,1,0,0|1,1,0]=4 9355 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000737579_100000210202 [0,1,0,1,0,0|1,1,0]=4 9356 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [0,1,0,1,0,0|2,0,0]=4 9357 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [0,1,0,1,0,0|2,0,0]=4 9358 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [0,1,0,1,0,0|2,0,0]=4 9359 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [0,1,0,1,0,0|2,0,0]=4 9360 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [0,1,0,1,0,0|2,0,0]=4 9361 B15R2.352 COCSc1ccc2ccccc2c1 62a_100000766300_100000233703 [0,1,0,1,0,0|1,1,0]=4 9362 B15R2.352 COCSc1ccc2ccccc2n1 62a_100000766300_100011291633 [0,1,0,1,0,0|1,1,0]=4 9363 B15R2.352 COCSc1ccc2ccccc2n1 62a_100011291633_100000766300 [0,1,0,1,0,0|1,1,0]=4 9364 B15R2.352 CSCNc1ccc2ccccc2c1 34a_100000211940_100011218213 [0,1,0,1,0,0|2,0,0]=4 9365 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [0,1,0,1,0,0|1,0,0]=3 9366 B15R2.352 CSCOc1ccc2cccnc2c1 34a_100011216045_100011218213 [0,1,0,1,0,0|2,0,0]=4 9367 B15R2.352 CSCOc1ccc2cnccc2c1 34a_100000046372_100011218213 [0,1,0,1,0,0|2,0,0]=4 9368 B15R2.352 CSCOc1ccc2ncccc2c1 34a_100011215586_100011218213 [0,1,0,1,0,0|2,0,0]=4 9369 B15R2.352 CSCOc1cnc2ccccc2c1 34a_100011934006_100011218213 [0,1,0,1,0,0|2,0,0]=4 9370 B15R2.352 CSCSc1ccc2ccccc2c1 62a_100011218213_100000233703 [0,1,0,1,0,0|1,1,0]=4 9371 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011218213_100011291633 [0,1,0,1,0,0|1,1,0]=4 9372 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011291633_100011218213 [0,1,0,1,0,0|1,1,0]=4 9373 B15R2.352 FCCNc1ccc2ccccc2c1 34a_100000211940_100011217306 [0,1,0,1,0,0|2,0,0]=4 9374 B15R2.352 FCCNc1ccc2ccccc2c1 7a_100000211940_100011217306 [0,1,0,1,0,0|2,0,0]=4 9375 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [0,1,0,1,0,0|1,0,0]=3 9376 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [0,1,0,1,0,0|1,0,0]=3 9377 B15R2.352 FCCOc1ccc2cccnc2c1 34a_100011216045_100011217306 [0,1,0,1,0,0|2,0,0]=4 9378 B15R2.352 FCCOc1ccc2ccncc2c1 7a_100000752006_100011217306 [0,1,0,1,0,0|2,0,0]=4 9379 B15R2.352 FCCOc1ccc2cnccc2c1 34a_100000046372_100011217306 [0,1,0,1,0,0|2,0,0]=4 9380 B15R2.352 FCCOc1ccc2cnccc2c1 7a_100000046372_100011217306 [0,1,0,1,0,0|2,0,0]=4 9381 B15R2.352 FCCOc1ccc2ncccc2c1 34a_100011215586_100011217306 [0,1,0,1,0,0|2,0,0]=4 9382 B15R2.352 FCCOc1ccc2ncccc2c1 7a_100011215586_100011217306 [0,1,0,1,0,0|2,0,0]=4 9383 B15R2.352 FCCOc1cnc2ccccc2c1 34a_100011934006_100011217306 [0,1,0,1,0,0|2,0,0]=4 9384 B15R2.352 FCCOc1cnc2ccccc2c1 7a_100011934006_100011217306 [0,1,0,1,0,0|2,0,0]=4 9385 B15R2.352 FCCSc1ccc2ccccc2c1 62a_100011217306_100000233703 [0,1,0,1,0,0|1,1,0]=4 9386 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011217306_100011291633 [0,1,0,1,0,0|1,1,0]=4 9387 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011291633_100011217306 [0,1,0,1,0,0|1,1,0]=4 9388 B15R2.352 FCOCc1ccc2ccccc2c1 34a_100011215330_100015361967 [0,1,0,1,0,0|2,0,0]=4 9389 B15R2.352 FCOCc1ccc2ccccc2c1 7a_100011215330_100015361967 [0,1,0,1,0,0|2,0,0]=4 9390 B15R2.352 N#CCOc1ccc2ccccc2c1 7a_100000185828_100011215382 [0,1,0,1,0,0|1,0,1]=4 9391 B15R2.352 O=CCOc1ccc2ccccc2c1 34a_100000185828_200009817547 [0,1,0,1,0,0|1,0,1]=4 9392 B15R2.352 O=CCOc1ccc2ccccc2c1 7a_100000185828_200015260668 [0,1,0,1,0,0|1,0,1]=4 9393 B15R2.352 OCCNc1ccc2ccccc2c1 34a_100000211940_100000211926 [0,1,0,1,0,0|2,0,0]=4 9394 B15R2.352 OCCNc1ccc2ccccc2c1 7a_100000211940_100000211926 [0,1,0,1,0,0|2,0,0]=4 9395 B15R2.352 OCCNc1ccc2ccccc2n1 27a_100000210304_100011291633 [0,1,0,1,0,0|2,0,0]=4 9396 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [0,1,0,1,0,0|1,0,0]=3 9397 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [0,1,0,1,0,0|1,0,0]=3 9398 B15R2.352 OCCOc1ccc2cccnc2c1 34a_100011216045_100000211926 [0,1,0,1,0,0|2,0,0]=4 9399 B15R2.352 OCCOc1ccc2ccncc2c1 7a_100000752006_100000211926 [0,1,0,1,0,0|2,0,0]=4 9400 B15R2.352 OCCOc1ccc2cnccc2c1 34a_100000046372_100000211926 [0,1,0,1,0,0|2,0,0]=4 9401 B15R2.352 OCCOc1ccc2cnccc2c1 7a_100000046372_100000211926 [0,1,0,1,0,0|2,0,0]=4 9402 B15R2.352 OCCOc1ccc2ncccc2c1 34a_100011215586_100000211926 [0,1,0,1,0,0|2,0,0]=4 9403 B15R2.352 OCCOc1ccc2ncccc2c1 7a_100011215586_100000211926 [0,1,0,1,0,0|2,0,0]=4 9404 B15R2.352 OCCOc1cnc2ccccc2c1 34a_100011934006_100000211926 [0,1,0,1,0,0|2,0,0]=4 9405 B15R2.352 OCCOc1cnc2ccccc2c1 7a_100011934006_100000211926 [0,1,0,1,0,0|2,0,0]=4 9406 B15R2.352 OCCSc1ccc2ccccc2c1 62a_100000211926_100000233703 [0,1,0,1,0,0|1,1,0]=4 9407 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100000211926_100011291633 [0,1,0,1,0,0|1,1,0]=4 9408 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100011291633_100000211926 [0,1,0,1,0,0|1,1,0]=4 9409 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [0,1,0,1,0,0|2,0,0]=4 9410 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [0,1,0,1,0,0|2,0,0]=4 9411 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [0,1,0,1,0,0|2,0,0]=4 9412 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [0,1,0,1,0,0|2,0,0]=4 9413 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [0,1,0,1,0,0|2,0,0]=4 9414 B15R2.2195 C(=Cc1ccccc1)C2=CCCCC2 271570a_100000069214_100000210277 [0,1,0,1,0,0|2,0,0]=4 9415 B15R2.9941 CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210202 [0,1,0,1,0,0|2,0,0]=4 9416 B15R2.9941 CCNc1c(ccc2c1cccc2)C 34a_100000688109_100000210202 [0,1,0,1,0,0|2,0,0]=4 9417 B15R2.9941 CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210202 [0,1,0,1,0,0|2,0,0]=4 9418 B15R2.9941 CCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210202 [0,1,0,1,0,0|1,0,1]=4 9419 B15R2.9941 CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210202 [0,1,0,1,0,0|1,0,0]=3 9420 B15R2.9941 CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210202 [0,1,0,1,0,0|1,0,0]=3 9421 B15R2.9941 CCOc1c(ccc2c1cccc2)C 34a_100000039261_100000210202 [0,1,0,1,0,0|1,0,0]=3 9422 B15R2.9941 CCOc1c(ccc2c1cccc2)C 7a_100000039261_100000210202 [0,1,0,1,0,0|1,0,0]=3 9423 B15R2.9941 CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210202 [0,1,0,1,0,0|1,0,0]=3 9424 B15R2.9941 CCOc1c(ccc2c1nccc2)Br 34a_100009816563_100000210202 [0,1,0,1,0,0|2,0,0]=4 9425 B15R2.9941 CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100000210202 [0,1,0,1,0,0|2,0,0]=4 9426 B15R2.9941 CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100000210202 [0,1,0,1,0,0|2,0,0]=4 9427 B15R2.9941 CCSc1c(ccc2c1cccc2)Br 62a_100000210202_100010090040 [0,1,0,1,0,0|1,1,0]=4 9428 B15R2.9941 CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210202 [0,1,0,1,0,0|1,1,0]=4 9429 B15R2.9941 CCSc1c(ccc2c1cccc2)C 62a_100000210202_100000759710 [0,1,0,1,0,0|1,1,0]=4 9430 B15R2.9941 CCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210202 [0,1,0,1,0,0|1,1,0]=4 9431 B15R2.9941 CCSc1c(ccc2c1cccc2)N 62a_100000210202_100000705303 [0,1,0,1,0,0|1,1,0]=4 9432 B15R2.9941 CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210202 [0,1,0,1,0,0|1,1,0]=4 9433 B15R2.9941 CCSc1c(ccc2c1cccc2)O 62a_100000210202_100000183829 [0,1,0,1,0,0|0,1,1]=4 9434 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 207a_100102657272_100010090029 [0,1,0,1,0,0|2,0,0]=4 9435 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 26a_100102657272_100009996032 [0,1,0,1,0,0|2,0,0]=4 9436 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 270004a_106832991635_100010090029 [0,1,0,1,0,0|2,0,0]=4 9437 B15R2.9941 CNCc1c(ccc2c1cccc2)C 207a_100102657272_100011361466 [0,1,0,1,0,0|2,0,0]=4 9438 B15R2.9941 CNCc1c(ccc2c1cccc2)C 2230a_106832991635_100000689653 [0,1,0,1,0,0|2,0,0]=4 9439 B15R2.9941 CNCc1c(ccc2c1cccc2)C 270004a_106832991635_100011361466 [0,1,0,1,0,0|2,0,0]=4 9440 B15R2.9941 CNCc1c(ccc2c1cccc2)C 34a_100102657272_100000689653 [0,1,0,1,0,0|2,0,0]=4 9441 B15R2.9941 CNCc1c(ccc2c1cccc2)C 7a_106832991635_100000689653 [0,1,0,1,0,0|2,0,0]=4 9442 B15R2.9941 COCc1c(ccc2c1cccc2)C 34a_100138415774_100000689653 [0,1,0,1,0,0|2,0,0]=4 9443 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_100000689653_200000210301 [0,1,0,1,0,0|2,0,0]=4 9444 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_200000210301_100000689653 [0,1,0,1,0,0|2,0,0]=4 9445 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_100000689653_200025704644 [0,1,0,1,0,0|2,0,0]=4 9446 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_200025704644_100000689653 [0,1,0,1,0,0|2,0,0]=4 9447 B15R2.9941 Cc1ccc2ccccc2c1OCF 34a_100000039261_100015361967 [0,1,0,1,0,0|2,0,0]=4 9448 B15R2.9941 Cc1ccc2ccccc2c1OCF 7a_100000039261_100015361967 [0,1,0,1,0,0|2,0,0]=4 9449 B15R2.9941 FCOc1c(ccc2c1cccc2)Br 34a_100009996032_100015361967 [0,1,0,1,0,0|2,0,0]=4 9450 B15R2.9941 FCOc1c(ccc2c1cccc2)Br 7a_100009996032_100015361967 [0,1,0,1,0,0|2,0,0]=4 9451 B15R2.9941 Nc1ccc2ccccc2c1OCF 34a_100000007060_100015361967 [0,1,0,1,0,0|2,0,0]=4 9452 B15R2.24490 O=C(C=Cc1ccccc1)C2CCC2 1458a_100000210462_100000749161 [0,1,0,1,0,0|1,0,0]=3 9453 B15R2.24490 O=C(C=Cc1ccccc1)C2COC2 1458a_100000210462_100000687716 [0,1,0,1,0,0|1,0,0]=3 9454 B15R2.24490 O=C(C=Cc1ccccc1)N2CCC2 11a_100000754969_100000210462 [0,1,0,1,0,0|1,0,0]=3 9455 B15R2.24490 O=C(C=Cc1ccccn1)C2CCC2 1458a_100000740811_100000749161 [0,1,0,1,0,0|2,0,0]=4 9456 B15R2.24490 O=C(C=Cc1ccccn1)C2COC2 1458a_100000740811_100000687716 [0,1,0,1,0,0|2,0,0]=4 9457 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 11a_100000754969_100000740811 [0,1,0,1,0,0|2,0,0]=4 9458 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 240690a_100000754969_100000740811 [0,1,0,1,0,0|2,0,0]=4 9459 B15R2.24490 O=C(C=Cc1cccnc1)C2CCC2 1458a_100000735890_100000749161 [0,1,0,1,0,0|2,0,0]=4 9460 B15R2.24490 O=C(C=Cc1cccnc1)C2COC2 1458a_100000735890_100000687716 [0,1,0,1,0,0|2,0,0]=4 9461 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 11a_100000754969_100000735890 [0,1,0,1,0,0|2,0,0]=4 9462 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 240690a_100000754969_100000735890 [0,1,0,1,0,0|2,0,0]=4 9463 B15R2.24490 O=C(C=Cc1ccncc1)C2CCC2 1458a_100000682801_100000749161 [0,1,0,1,0,0|2,0,0]=4 9464 B15R2.24490 O=C(C=Cc1ccncc1)C2COC2 1458a_100000682801_100000687716 [0,1,0,1,0,0|2,0,0]=4 9465 B15R2.24490 O=C(C=Cc1ccncc1)N2CCC2 240690a_100000754969_100000682801 [0,1,0,1,0,0|2,0,0]=4 9466 B15R2.24490 O=C(CCc1ccccc1)C2CCO2 1458a_100000089072_100000765856 [0,1,0,1,0,0|0,0,2]=4 9467 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 11a_100015324214_100000089072 [0,1,0,1,0,0|1,0,1]=4 9468 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 1626a_100015324214_100000089072 [0,1,0,1,0,0|1,0,1]=4 9469 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 240690a_100015324214_100000089072 [0,1,0,1,0,0|1,0,1]=4 9470 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 527a_100015324214_100000089072 [0,1,0,1,0,0|1,0,1]=4 9471 B15R2.24490 O=C(NNc1ccccc1)C2CCO2 22a_100015195140_100000089072 [0,1,0,1,0,0|2,0,0]=4 9472 B15R2.24494 O=C(C=Cc1ccccc1)CC2CC2 1458a_100000210462_100000742324 [0,1,0,1,0,0|1,0,0]=3 9473 B15R2.24494 O=C(C=Cc1ccccc1)CC2CO2 1458a_100000210462_100011216344 [0,1,0,1,0,0|1,0,0]=3 9474 B15R2.24494 O=C(C=Cc1ccccc1)CC2CS2 1458a_100000210462_100000031435 [0,1,0,1,0,0|1,0,0]=3 9475 B15R2.24494 O=C(C=Cc1ccccc1)C[C@@H]2CO2 1458a_100000210462_100000745022 [0,1,0,1,0,0|1,0,0]=3 9476 B15R2.24494 O=C(C=Cc1ccccc1)NC2CC2 1626a_100000212008_100000210462 [0,1,0,1,0,0|1,0,0]=3 9477 B15R2.24494 O=C(C=Cc1ccccn1)CC2CC2 1458a_100000740811_100000742324 [0,1,0,1,0,0|2,0,0]=4 9478 B15R2.24494 O=C(C=Cc1ccccn1)CC2CO2 1458a_100000740811_100011216344 [0,1,0,1,0,0|2,0,0]=4 9479 B15R2.24494 O=C(C=Cc1ccccn1)CC2CS2 1458a_100000740811_100000031435 [0,1,0,1,0,0|2,0,0]=4 9480 B15R2.24494 O=C(C=Cc1ccccn1)C[C@@H]2CO2 1458a_100000740811_100000745022 [0,1,0,1,0,0|2,0,0]=4 9481 B15R2.24494 O=C(C=Cc1ccccn1)NC2CC2 240690a_100000212008_100000740811 [0,1,0,1,0,0|2,0,0]=4 9482 B15R2.24494 O=C(C=Cc1cccnc1)CC2CC2 1458a_100000735890_100000742324 [0,1,0,1,0,0|2,0,0]=4 9483 B15R2.24494 O=C(C=Cc1cccnc1)CC2CO2 1458a_100000735890_100011216344 [0,1,0,1,0,0|2,0,0]=4 9484 B15R2.24494 O=C(C=Cc1cccnc1)CC2CS2 1458a_100000735890_100000031435 [0,1,0,1,0,0|2,0,0]=4 9485 B15R2.24494 O=C(C=Cc1cccnc1)C[C@@H]2CO2 1458a_100000735890_100000745022 [0,1,0,1,0,0|2,0,0]=4 9486 B15R2.24494 O=C(C=Cc1cccnc1)NC2CC2 240690a_100000212008_100000735890 [0,1,0,1,0,0|2,0,0]=4 9487 B15R2.24494 O=C(C=Cc1ccncc1)CC2CC2 1458a_100000682801_100000742324 [0,1,0,1,0,0|2,0,0]=4 9488 B15R2.24494 O=C(C=Cc1ccncc1)CC2CO2 1458a_100000682801_100011216344 [0,1,0,1,0,0|2,0,0]=4 9489 B15R2.24494 O=C(C=Cc1ccncc1)CC2CS2 1458a_100000682801_100000031435 [0,1,0,1,0,0|2,0,0]=4 9490 B15R2.24494 O=C(C=Cc1ccncc1)C[C@@H]2CO2 1458a_100000682801_100000745022 [0,1,0,1,0,0|2,0,0]=4 9491 B15R2.24494 O=C(C=Cc1ccncc1)NC2CC2 240690a_100000212008_100000682801 [0,1,0,1,0,0|2,0,0]=4 9492 B15R2.28 Cc1ccc(cc1)C2=CC(=O)CCC2 271570a_100000723966_100000186775 [0,1,0,1,0,0|1,0,0]=3 9493 B15R2.28 Cc1ccc(cn1)C2=CC(=O)CCC2 271570a_100000723966_100000751577 [0,1,0,1,0,0|2,0,0]=4 9494 B15R2.28 Cc1ccc(nc1)C2=CC(=O)CCC2 271570a_100000723966_100000754016 [0,1,0,1,0,0|2,0,0]=4 9495 B15R2.28 Nc1ccc(cc1)C2=CC(=O)CCC2 271570a_100000723966_100000185761 [0,1,0,1,0,0|1,0,0]=3 9496 B15R2.28 Nc1ccc(cn1)C2=CC(=O)CCC2 271570a_100000723966_100000187370 [0,1,0,1,0,0|2,0,0]=4 9497 B15R2.28 Nc1ccc(nc1)C2=CC(=O)CCC2 271570a_100000723966_100000744251 [0,1,0,1,0,0|2,0,0]=4 9498 B15R2.28 O=C1C=C(CCC1)c2cc[n+](cc2)[O-] 271570a_100000723966_100000039755 [0,1,0,1,0,0|2,0,0]=4 9499 B15R2.28 O=C1C=C(CCC1)c2ccc(=O)[nH]c2 271570a_100000723966_100000212171 [0,1,0,1,0,0|2,0,0]=4 9500 B15R2.28 O=C1C=C(CCC1)c2ccc(cc2)Br 271570a_100000723966_100000752885 [0,1,0,1,0,0|1,0,0]=3 9501 B15R2.28 O=C1C=C(CCC1)c2ccc(cc2)Cl 271570a_100000723966_100000755918 [0,1,0,1,0,0|1,0,0]=3 9502 B15R2.28 O=C1C=C(CCC1)c2ccc(cc2)F 271570a_100000723966_100000211213 [0,1,0,1,0,0|1,0,0]=3 9503 B15R2.28 O=C1C=C(CCC1)c2ccc(cc2)O 271570a_100000723966_100000185759 [0,1,0,1,0,0|1,0,0]=3 9504 B15R2.28 O=C1C=C(CCC1)c2ccc(cn2)Br 271570a_100000723966_100000686858 [0,1,0,1,0,0|2,0,0]=4 9505 B15R2.28 O=C1C=C(CCC1)c2ccc(cn2)Cl 271570a_100000723966_100011356976 [0,1,0,1,0,0|2,0,0]=4 9506 B15R2.28 O=C1C=C(CCC1)c2ccc(cn2)F 271570a_100000723966_100000744514 [0,1,0,1,0,0|2,0,0]=4 9507 B15R2.28 O=C1C=C(CCC1)c2ccc(cn2)O 271570a_100000723966_100000685995 [0,1,0,1,0,0|2,0,0]=4 9508 B15R2.28 O=C1C=C(CCC1)c2ccc(nc2)Br 271570a_100000723966_100009814638 [0,1,0,1,0,0|2,0,0]=4 9509 B15R2.28 O=C1C=C(CCC1)c2ccc(nc2)Cl 271570a_100000723966_100000034144 [0,1,0,1,0,0|2,0,0]=4 9510 B15R2.28 O=C1C=C(CCC1)c2ccc(nc2)F 271570a_100000723966_100000748661 [0,1,0,1,0,0|2,0,0]=4 9511 B15R2.1282 CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210202 [0,1,0,1,0,0|2,0,0]=4 9512 B15R2.1282 CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210202 [0,1,0,1,0,0|2,0,0]=4 9513 B15R2.1282 CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210202 [0,1,0,1,0,0|2,0,0]=4 9514 B15R2.1282 CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210202 [0,1,0,1,0,0|2,0,0]=4 9515 B15R2.1282 CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210202 [0,1,0,1,0,0|2,0,0]=4 9516 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210202 [0,1,0,1,0,0|2,0,0]=4 9517 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210202 [0,1,0,1,0,0|2,0,0]=4 9518 B15R2.1282 CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210202 [0,1,0,1,0,0|1,0,0]=3 9519 B15R2.1282 CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210202 [0,1,0,1,0,0|1,0,0]=3 9520 B15R2.1282 CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210202 [0,1,0,1,0,0|1,0,0]=3 9521 B15R2.1282 CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210202 [0,1,0,1,0,0|1,0,0]=3 9522 B15R2.1282 CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210202 [0,1,0,1,0,0|1,0,0]=3 9523 B15R2.1282 CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210202 [0,1,0,1,0,0|1,0,0]=3 9524 B15R2.1282 CCOc1ccc2ccc(cc2n1)O 271570a_203496583355_200010874322 [0,1,0,1,0,0|1,0,0]=3 9525 B15R2.1282 CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210202 [0,1,0,1,0,0|2,0,0]=4 9526 B15R2.1282 CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210202 [0,1,0,1,0,0|2,0,0]=4 9527 B15R2.1282 CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210202 [0,1,0,1,0,0|2,0,0]=4 9528 B15R2.1282 CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210202 [0,1,0,1,0,0|2,0,0]=4 9529 B15R2.1282 CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210202 [0,1,0,1,0,0|2,0,0]=4 9530 B15R2.1282 CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210202 [0,1,0,1,0,0|2,0,0]=4 9531 B15R2.1282 CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210202 [0,1,0,1,0,0|2,0,0]=4 9532 B15R2.1282 CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210202 [0,1,0,1,0,0|2,0,0]=4 9533 B15R2.1282 CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210202 [0,1,0,1,0,0|2,0,0]=4 9534 B15R2.1282 CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210202 [0,1,0,1,0,0|2,0,0]=4 9535 B15R2.1282 CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210202 [0,1,0,1,0,0|2,0,0]=4 9536 B15R2.1282 CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210202 [0,1,0,1,0,0|2,0,0]=4 9537 B15R2.1282 CCSc1ccc2ccc(cc2c1)N 62a_100000210202_100010090036 [0,1,0,1,0,0|1,1,0]=4 9538 B15R2.1282 CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210202 [0,1,0,1,0,0|1,1,0]=4 9539 B15R2.1282 CCSc1ccc2ccc(cc2c1)O 62a_100000210202_100009816537 [0,1,0,1,0,0|1,1,0]=4 9540 B15R2.1282 CCSc1ccc2ccc(cc2n1)O 62a_100000210202_100000079174 [0,1,0,1,0,0|1,1,0]=4 9541 B15R2.1282 Cc1ccc2ccc(cc2c1)OCF 34a_100000091598_100015361967 [0,1,0,1,0,0|2,0,0]=4 9542 B15R2.1282 Cc1ccc2ccc(cc2c1)OCF 7a_100000091598_100015361967 [0,1,0,1,0,0|2,0,0]=4 9543 B15R2.1282 FCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100015361967 [0,1,0,1,0,0|2,0,0]=4 9544 B15R2.1282 FCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100015361967 [0,1,0,1,0,0|2,0,0]=4 9545 B15R2.1282 Nc1ccc2ccc(cc2c1)OCF 34a_100015378740_100015361967 [0,1,0,1,0,0|2,0,0]=4 9546 B15R2.1282 Nc1ccc2ccc(cc2c1)OCF 7a_100015378740_100015361967 [0,1,0,1,0,0|2,0,0]=4 9547 B15R2.1510 Cc1ccc(cc1)NC2CCOC2=O 34a_100000124888_100000211211 [0,1,0,1,0,0|1,0,1]=4 9548 B15R2.1510 Cc1ccc(cc1)OC2CCOC2=O 34a_100000210336_100000211211 [0,1,0,1,0,0|1,0,1]=4 9549 B15R2.1510 Cc1ccc(cc1)OC2CCOC2=O 7a_100000210336_100000211211 [0,1,0,1,0,0|1,0,1]=4 9550 B15R2.1510 Cc1ccc(cc1)SC2CCOC2=O 62a_100000186775_100000211211 [0,1,0,1,0,0|1,0,1]=4 9551 B15R2.1510 Cc1ccc(cc1)SC2CCOC2=O 62a_100000211211_100000186775 [0,1,0,1,0,0|1,0,1]=4 9552 B15R2.1510 Nc1ccc(cc1)OC2CCOC2=O 34a_100000185829_100000211211 [0,1,0,1,0,0|1,0,1]=4 9553 B15R2.1510 Nc1ccc(cc1)SC2CCOC2=O 62a_100000185761_100000211211 [0,1,0,1,0,0|1,0,1]=4 9554 B15R2.1510 Nc1ccc(cc1)SC2CCOC2=O 62a_100000211211_100000185761 [0,1,0,1,0,0|1,0,1]=4 9555 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)Br 2230a_100000210018_100000211211 [0,1,0,1,0,0|1,0,1]=4 9556 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)Br 34a_100000210018_100000211211 [0,1,0,1,0,0|1,0,1]=4 9557 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)Cl 2230a_100000210052_100000211211 [0,1,0,1,0,0|1,0,1]=4 9558 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)Cl 34a_100000210052_100000211211 [0,1,0,1,0,0|1,0,1]=4 9559 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)F 34a_100000185862_100000211211 [0,1,0,1,0,0|1,0,1]=4 9560 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)I 34a_100000185761_100000211211 [0,1,0,1,0,0|1,0,1]=4 9561 B15R2.1510 O=C1OCCC1Nc2ccc(cc2)O 34a_100000185829_100000211211 [0,1,0,1,0,0|1,0,1]=4 9562 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)Br 34a_100000185759_100000211211 [0,1,0,1,0,0|1,0,1]=4 9563 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)Br 7a_100000185759_100000211211 [0,1,0,1,0,0|1,0,1]=4 9564 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)Cl 34a_100000210216_100000211211 [0,1,0,1,0,0|1,0,1]=4 9565 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)Cl 7a_100000210216_100000211211 [0,1,0,1,0,0|1,0,1]=4 9566 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)F 34a_100000210339_100000211211 [0,1,0,1,0,0|1,0,1]=4 9567 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)I 34a_100000212066_100000211211 [0,1,0,1,0,0|1,0,1]=4 9568 B15R2.1510 O=C1OCCC1Oc2ccc(cc2)I 7a_100000212066_100000211211 [0,1,0,1,0,0|1,0,1]=4 9569 B15R2.1510 O=C1OCCC1Sc2ccc(cc2)Br 62a_100000211211_100000752885 [0,1,0,1,0,0|1,0,1]=4 9570 B15R2.1510 O=C1OCCC1Sc2ccc(cc2)Br 62a_100000752885_100000211211 [0,1,0,1,0,0|1,0,1]=4 9571 B15R2.1510 O=C1OCCC1Sc2ccc(cc2)Cl 62a_100000211211_100000755918 [0,1,0,1,0,0|1,0,1]=4 9572 B15R2.1510 O=C1OCCC1Sc2ccc(cc2)Cl 62a_100000755918_100000211211 [0,1,0,1,0,0|1,0,1]=4 9573 B15R2.1510 O=C1OCCC1Sc2ccc(cc2)F 62a_100000211211_100000211213 [0,1,0,1,0,0|1,0,1]=4 9574 B15R2.1510 O=C1OCCC1Sc2ccc(cc2)F 62a_100000211213_100000211211 [0,1,0,1,0,0|1,0,1]=4 9575 B15R2.1510 O=C1OCCC1Sc2ccc(cc2)O 62a_100000211211_100000185759 [0,1,0,1,0,0|1,0,1]=4 9576 B15R2.332 C[n+]1ccccc1C2=CC(=O)CCC2 271570a_100000723966_100000212160 [0,1,0,1,0,0|2,0,0]=4 9577 B15R2.332 Cc1ccccc1C2=CC(=O)CCC2 271570a_100000723966_100000210755 [0,1,0,1,0,0|1,0,0]=3 9578 B15R2.332 Cc1cccnc1C2=CC(=O)CCC2 271570a_100000723966_100000751373 [0,1,0,1,0,0|2,0,0]=4 9579 B15R2.332 Cc1ccncc1C2=CC(=O)CCC2 271570a_100000723966_100000761580 [0,1,0,1,0,0|2,0,0]=4 9580 B15R2.332 Cc1cnccc1C2=CC(=O)CCC2 271570a_100000723966_100015191297 [0,1,0,1,0,0|2,0,0]=4 9581 B15R2.332 Cc1ncccc1C2=CC(=O)CCC2 271570a_100000723966_100000751574 [0,1,0,1,0,0|2,0,0]=4 9582 B15R2.332 Nc1ccccc1C2=CC(=O)CCC2 271570a_100000723966_100000210017 [0,1,0,1,0,0|1,0,0]=3 9583 B15R2.332 Nc1cccnc1C2=CC(=O)CCC2 271570a_100000723966_100000688686 [0,1,0,1,0,0|2,0,0]=4 9584 B15R2.332 Nc1ccncc1C2=CC(=O)CCC2 271570a_100000723966_100000047001 [0,1,0,1,0,0|2,0,0]=4 9585 B15R2.332 Nc1cnccc1C2=CC(=O)CCC2 271570a_100000723966_100009815883 [0,1,0,1,0,0|2,0,0]=4 9586 B15R2.332 Nc1ncccc1C2=CC(=O)CCC2 271570a_100000723966_100000045569 [0,1,0,1,0,0|2,0,0]=4 9587 B15R2.332 O=C1C=C(CCC1)c2c[nH]ccc2=O 271570a_100000723966_100009998708 [0,1,0,1,0,0|2,0,0]=4 9588 B15R2.332 O=C1C=C(CCC1)c2c[nH]ccc2=S 271570a_100000723966_200012280681 [0,1,0,1,0,0|2,0,0]=4 9589 B15R2.332 O=C1C=C(CCC1)c2ccc[nH]c2=O 271570a_100000723966_100000050042 [0,1,0,1,0,0|2,0,0]=4 9590 B15R2.332 O=C1C=C(CCC1)c2cccc[n+]2[O-] 271570a_100000723966_200000042595 [0,1,0,1,0,0|2,0,0]=4 9591 B15R2.332 O=C1C=C(CCC1)c2ccccc2Br 271570a_100000723966_100000695589 [0,1,0,1,0,0|1,0,0]=3 9592 B15R2.332 O=C1C=C(CCC1)c2ccccc2Cl 271570a_100000723966_100000764095 [0,1,0,1,0,0|1,0,0]=3 9593 B15R2.332 O=C1C=C(CCC1)c2ccccc2F 271570a_100000723966_100011215700 [0,1,0,1,0,0|1,0,0]=3 9594 B15R2.332 O=C1C=C(CCC1)c2ccccc2O 271570a_100000723966_100000739446 [0,1,0,1,0,0|1,0,0]=3 9595 B15R2.332 O=C1C=C(CCC1)c2cccnc2Br 271570a_100000723966_100010202626 [0,1,0,1,0,0|2,0,0]=4 9596 B15R2.332 O=C1C=C(CCC1)c2cccnc2Cl 271570a_100000723966_100000036424 [0,1,0,1,0,0|2,0,0]=4 9597 B15R2.332 O=C1C=C(CCC1)c2cccnc2F 271570a_100000723966_100009816115 [0,1,0,1,0,0|2,0,0]=4 9598 B15R2.332 O=C1C=C(CCC1)c2ccncc2Br 271570a_100000723966_100000726257 [0,1,0,1,0,0|2,0,0]=4 9599 B15R2.332 O=C1C=C(CCC1)c2ccncc2Cl 271570a_100000723966_100000708259 [0,1,0,1,0,0|2,0,0]=4 9600 B15R2.332 O=C1C=C(CCC1)c2ccncc2F 271570a_100000723966_100000047030 [0,1,0,1,0,0|2,0,0]=4 9601 B15R2.332 O=C1C=C(CCC1)c2ccncc2O 271570a_100000723966_100009817591 [0,1,0,1,0,0|2,0,0]=4 9602 B15R2.332 O=C1C=C(CCC1)c2cnccc2Br 271570a_100000723966_100010138639 [0,1,0,1,0,0|2,0,0]=4 9603 B15R2.332 O=C1C=C(CCC1)c2cnccc2Cl 271570a_100000723966_100009995489 [0,1,0,1,0,0|2,0,0]=4 9604 B15R2.332 O=C1C=C(CCC1)c2cnccc2F 271570a_100000723966_100009820683 [0,1,0,1,0,0|2,0,0]=4 9605 B15R2.332 O=C1C=C(CCC1)c2ncccc2Br 271570a_100000723966_100000696092 [0,1,0,1,0,0|2,0,0]=4 9606 B15R2.332 O=C1C=C(CCC1)c2ncccc2Cl 271570a_100000723966_100011356963 [0,1,0,1,0,0|2,0,0]=4 9607 B15R2.332 O=C1C=C(CCC1)c2ncccc2F 271570a_100000723966_100000685392 [0,1,0,1,0,0|2,0,0]=4 9608 B15R2.332 O=C1C=C(CCC1)c2ncccc2O 271570a_100000723966_100000034122 [0,1,0,1,0,0|2,0,0]=4 9609 B15R2.359 Cc1ccccc1NC2CCOC2=O 34a_100015192222_100000211211 [0,1,0,1,0,0|1,0,1]=4 9610 B15R2.359 Cc1ccccc1OC2CCOC2=O 34a_100000210338_100000211211 [0,1,0,1,0,0|1,0,1]=4 9611 B15R2.359 Cc1ccccc1OC2CCOC2=O 7a_100000210338_100000211211 [0,1,0,1,0,0|1,0,1]=4 9612 B15R2.359 Cc1ccccc1SC2CCOC2=O 62a_100000210755_100000211211 [0,1,0,1,0,0|1,0,1]=4 9613 B15R2.359 Cc1ccccc1SC2CCOC2=O 62a_100000211211_100000210755 [0,1,0,1,0,0|1,0,1]=4 9614 B15R2.359 Nc1ccccc1OC2CCOC2=O 34a_100000185747_100000211211 [0,1,0,1,0,0|1,0,1]=4 9615 B15R2.359 Nc1ccccc1OC2CCOC2=O 7a_100000185747_100000211211 [0,1,0,1,0,0|1,0,1]=4 9616 B15R2.359 Nc1ccccc1SC2CCOC2=O 62a_100000210017_100000211211 [0,1,0,1,0,0|1,0,1]=4 9617 B15R2.359 Nc1ccccc1SC2CCOC2=O 62a_100000211211_100000210017 [0,1,0,1,0,0|1,0,1]=4 9618 B15R2.359 O=C1OCCC1Nc2ccccc2Br 34a_100000210017_100000211211 [0,1,0,1,0,0|1,0,1]=4 9619 B15R2.359 O=C1OCCC1Nc2ccccc2Cl 34a_100000185783_100000211211 [0,1,0,1,0,0|1,0,1]=4 9620 B15R2.359 O=C1OCCC1Nc2ccccc2F 34a_100000210422_100000211211 [0,1,0,1,0,0|1,0,1]=4 9621 B15R2.359 O=C1OCCC1Nc2ccccc2I 34a_100000210053_100000211211 [0,1,0,1,0,0|1,0,1]=4 9622 B15R2.359 O=C1OCCC1Nc2ccccc2O 34a_100000185747_100000211211 [0,1,0,1,0,0|1,0,1]=4 9623 B15R2.359 O=C1OCCC1Oc2ccccc2Br 34a_100000181306_100000211211 [0,1,0,1,0,0|1,0,1]=4 9624 B15R2.359 O=C1OCCC1Oc2ccccc2Br 7a_100000181306_100000211211 [0,1,0,1,0,0|1,0,1]=4 9625 B15R2.359 O=C1OCCC1Oc2ccccc2Cl 34a_100000210172_100000211211 [0,1,0,1,0,0|1,0,1]=4 9626 B15R2.359 O=C1OCCC1Oc2ccccc2Cl 7a_100000210172_100000211211 [0,1,0,1,0,0|1,0,1]=4 9627 B15R2.359 O=C1OCCC1Oc2ccccc2F 34a_100000210171_100000211211 [0,1,0,1,0,0|1,0,1]=4 9628 B15R2.359 O=C1OCCC1Oc2ccccc2F 7a_100000210171_100000211211 [0,1,0,1,0,0|1,0,1]=4 9629 B15R2.359 O=C1OCCC1Oc2ccccc2I 34a_100000739446_100000211211 [0,1,0,1,0,0|1,0,1]=4 9630 B15R2.359 O=C1OCCC1Oc2ccccc2I 7a_100000739446_100000211211 [0,1,0,1,0,0|1,0,1]=4 9631 B15R2.359 O=C1OCCC1Sc2ccccc2Br 62a_100000211211_100000695589 [0,1,0,1,0,0|1,0,1]=4 9632 B15R2.359 O=C1OCCC1Sc2ccccc2Br 62a_100000695589_100000211211 [0,1,0,1,0,0|1,0,1]=4 9633 B15R2.359 O=C1OCCC1Sc2ccccc2Cl 62a_100000211211_100000764095 [0,1,0,1,0,0|1,0,1]=4 9634 B15R2.359 O=C1OCCC1Sc2ccccc2Cl 62a_100000764095_100000211211 [0,1,0,1,0,0|1,0,1]=4 9635 B15R2.359 O=C1OCCC1Sc2ccccc2F 62a_100000211211_100011215700 [0,1,0,1,0,0|1,0,1]=4 9636 B15R2.359 O=C1OCCC1Sc2ccccc2F 62a_100011215700_100000211211 [0,1,0,1,0,0|1,0,1]=4 9637 B15R2.359 O=C1OCCC1Sc2ccccc2O 62a_100000211211_100000739446 [0,1,0,1,0,0|1,0,1]=4 9638 B15R2.359 O=C1OCCC1Sc2ccccc2O 62a_100000739446_100000211211 [0,1,0,1,0,0|1,0,1]=4 9639 B15R2.54379 CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210202 [0,1,0,1,0,0|2,0,0]=4 9640 B15R2.54379 CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210202 [0,1,0,1,0,0|2,0,0]=4 9641 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210202 [0,1,0,1,0,0|2,0,0]=4 9642 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210202 [0,1,0,1,0,0|2,0,0]=4 9643 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210202 [0,1,0,1,0,0|2,0,0]=4 9644 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210202 [0,1,0,1,0,0|2,0,0]=4 9645 B15R2.54379 CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210202 [0,1,0,1,0,0|1,0,0]=3 9646 B15R2.54379 CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210202 [0,1,0,1,0,0|1,0,0]=3 9647 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210202 [0,1,0,1,0,0|2,0,0]=4 9648 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210202 [0,1,0,1,0,0|2,0,0]=4 9649 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210202 [0,1,0,1,0,0|2,0,0]=4 9650 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210202 [0,1,0,1,0,0|2,0,0]=4 9651 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210202 [0,1,0,1,0,0|2,0,0]=4 9652 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210202 [0,1,0,1,0,0|2,0,0]=4 9653 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210202 [0,1,0,1,0,0|2,0,0]=4 9654 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210202 [0,1,0,1,0,0|2,0,0]=4 9655 B15R2.54379 CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210202 [0,1,0,1,0,0|2,0,0]=4 9656 B15R2.54379 CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210202 [0,1,0,1,0,0|2,0,0]=4 9657 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100000210202_100010090037 [0,1,0,1,0,0|1,1,0]=4 9658 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210202 [0,1,0,1,0,0|1,1,0]=4 9659 B15R2.54379 CCSc1ccc2c(cccc2c1)O 62a_100000210202_100010202202 [0,1,0,1,0,0|1,1,0]=4 9660 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 34a_100000034668_100015361967 [0,1,0,1,0,0|2,0,0]=4 9661 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 7a_100000034668_100015361967 [0,1,0,1,0,0|2,0,0]=4 9662 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210202 [0,1,0,1,0,0|2,0,0]=4 9663 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210202 [0,1,0,1,0,0|2,0,0]=4 9664 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000220149_200000210301 [0,1,0,1,0,0|2,0,0]=4 9665 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000204670 [0,1,0,1,0,0|2,0,0]=4 9666 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000220149_200000210301 [0,1,0,1,0,0|2,0,0]=4 9667 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210202 [0,1,0,1,0,0|2,0,0]=4 9668 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000220149_200000210301 [0,1,0,1,0,0|2,0,0]=4 9669 B15R2.1601 CCN(C)c1ccc2ccccc2c1 7a_100000220149_200000210301 [0,1,0,1,0,0|2,0,0]=4 9670 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 2230a_100000220149_200025704644 [0,1,0,1,0,0|2,0,0]=4 9671 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 269982a_100000220149_200025704644 [0,1,0,1,0,0|2,0,0]=4 9672 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 34a_100000220149_200025704644 [0,1,0,1,0,0|2,0,0]=4 9673 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 7a_100000220149_200025704644 [0,1,0,1,0,0|2,0,0]=4 9674 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210206 [0,1,0,1,0,0|2,0,0]=4 9675 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000210206 [0,1,0,1,0,0|2,0,0]=4 9676 B15R2.1668 CC(C)Nc1ccc2ccccc2n1 27a_100138425928_100011291633 [0,1,0,1,0,0|2,0,0]=4 9677 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210206 [0,1,0,1,0,0|1,0,0]=3 9678 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000210206 [0,1,0,1,0,0|1,0,0]=3 9679 B15R2.1668 CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210206 [0,1,0,1,0,0|2,0,0]=4 9680 B15R2.1668 CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000210206 [0,1,0,1,0,0|2,0,0]=4 9681 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210206 [0,1,0,1,0,0|2,0,0]=4 9682 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000210206 [0,1,0,1,0,0|2,0,0]=4 9683 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210206 [0,1,0,1,0,0|2,0,0]=4 9684 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000210206 [0,1,0,1,0,0|2,0,0]=4 9685 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210206 [0,1,0,1,0,0|2,0,0]=4 9686 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000210206 [0,1,0,1,0,0|2,0,0]=4 9687 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 62a_100000210206_100000233703 [0,1,0,1,0,0|1,1,0]=4 9688 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100000210206_100011291633 [0,1,0,1,0,0|1,1,0]=4 9689 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000210206 [0,1,0,1,0,0|1,1,0]=4 9690 B15R2.1682 Cc1sc(cc1c2ccccc2)C=O 271570a_100011218836_100000708457 [0,1,0,1,0,0|0,1,1]=4 9691 B15R2.2115 COc1c(ccc2c1cccc2)N=O 34a_100000212301_200000210301 [0,1,0,1,0,0|2,0,0]=4 9692 B15R2.2115 CSc1c(ccc2c1cccc2)C=O 62a_100009813496_200000210301 [0,1,0,1,0,0|2,0,0]=4 9693 B15R2.2115 CSc1c(ccc2c1cccc2)C=O 62a_200000210301_100009813496 [0,1,0,1,0,0|2,0,0]=4 9694 B15R2.2115 [13CH3]Oc1c(ccc2c1cccc2)N=O 34a_100000212301_200025704644 [0,1,0,1,0,0|2,0,0]=4 9695 B15R2.2115 [13CH3]Sc1c(ccc2c1cccc2)C=O 62a_100009813496_200025704644 [0,1,0,1,0,0|2,0,0]=4 9696 B15R2.2115 [13CH3]Sc1c(ccc2c1cccc2)C=O 62a_200025704644_100009813496 [0,1,0,1,0,0|2,0,0]=4 9697 B15R2.2220 CCNc1ccc2ccccc2c1Br 34a_100000705303_100000210202 [0,1,0,1,0,0|2,0,0]=4 9698 B15R2.2220 CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210202 [0,1,0,1,0,0|2,0,0]=4 9699 B15R2.2220 CCNc1ccc2ccccc2c1O 34a_100000007060_100000210202 [0,1,0,1,0,0|1,0,1]=4 9700 B15R2.2220 CCOc1ccc2ccccc2c1Br 34a_100000183829_100000210202 [0,1,0,1,0,0|1,0,0]=3 9701 B15R2.2220 CCOc1ccc2ccccc2c1Br 7a_100000183829_100000210202 [0,1,0,1,0,0|1,0,0]=3 9702 B15R2.2220 CCOc1ccc2ccccc2c1C 34a_100009830054_100000210202 [0,1,0,1,0,0|1,0,0]=3 9703 B15R2.2220 CCOc1ccc2ccccc2c1C 7a_100009830054_100000210202 [0,1,0,1,0,0|1,0,0]=3 9704 B15R2.2220 CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210202 [0,1,0,1,0,0|1,0,0]=3 9705 B15R2.2220 CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210202 [0,1,0,1,0,0|1,0,0]=3 9706 B15R2.2220 CCOc1ccc2ccccc2c1I 34a_100000041551_100000210202 [0,1,0,1,0,0|1,0,0]=3 9707 B15R2.2220 CCOc1ccc2ccccc2c1I 7a_100000041551_100000210202 [0,1,0,1,0,0|1,0,0]=3 9708 B15R2.2220 CCOc1ccc2ccccc2c1N 34a_100000007056_100000210202 [0,1,0,1,0,0|1,0,0]=3 9709 B15R2.2220 CCOc1ccc2ccccc2c1N 7a_100000007056_100000210202 [0,1,0,1,0,0|1,0,0]=3 9710 B15R2.2220 CCOc1ccc2ccccc2c1O 271570a_203496583355_200000173018 [0,1,0,1,0,0|0,0,1]=3 9711 B15R2.2220 CCOc1ccc2cccnc2c1Br 34a_100010173343_100000210202 [0,1,0,1,0,0|2,0,0]=4 9712 B15R2.2220 CCOc1ccc2cccnc2c1Br 7a_100010173343_100000210202 [0,1,0,1,0,0|2,0,0]=4 9713 B15R2.2220 CCOc1ccc2ccncc2c1Br 34a_200010115057_100000210202 [0,1,0,1,0,0|2,0,0]=4 9714 B15R2.2220 CCOc1ccc2ccncc2c1Br 7a_200010115057_100000210202 [0,1,0,1,0,0|2,0,0]=4 9715 B15R2.2220 CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210202 [0,1,0,1,0,0|2,0,0]=4 9716 B15R2.2220 CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210202 [0,1,0,1,0,0|2,0,0]=4 9717 B15R2.2220 CCSc1c[nH]c2ccccc2c1=O 62a_100000210202_100012348052 [0,1,0,1,0,0|1,1,0]=4 9718 B15R2.2220 CCSc1ccc2ccccc2c1Br 62a_100000210202_200010089984 [0,1,0,1,0,0|1,1,0]=4 9719 B15R2.2220 CCSc1ccc2ccccc2c1Br 62a_200010089984_100000210202 [0,1,0,1,0,0|1,1,0]=4 9720 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100000210202_100010221197 [0,1,0,1,0,0|1,1,0]=4 9721 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100010221197_100000210202 [0,1,0,1,0,0|1,1,0]=4 9722 B15R2.2220 CCSc1ccc2ccccc2c1F 62a_100000210202_100009832041 [0,1,0,1,0,0|1,1,0]=4 9723 B15R2.2220 CCSc1ccc2ccccc2c1F 62a_100009832041_100000210202 [0,1,0,1,0,0|1,1,0]=4 9724 B15R2.2220 CCSc1ccc2ccccc2c1N 62a_100009817101_100000210202 [0,1,0,1,0,0|1,1,0]=4 9725 B15R2.2220 CCSc1ccc2ccccc2c1O 62a_100000210202_100009996032 [0,1,0,1,0,0|0,1,1]=4 9726 B15R2.2220 CCSc1coc2ccccc2c1=O 62a_100000210202_100009813851 [0,1,0,1,0,0|1,1,0]=4 9727 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 34a_100009830054_100015361967 [0,1,0,1,0,0|2,0,0]=4 9728 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 7a_100009830054_100015361967 [0,1,0,1,0,0|2,0,0]=4 9729 B15R2.2220 FCOc1ccc2ccccc2c1Br 34a_100000183829_100015361967 [0,1,0,1,0,0|2,0,0]=4 9730 B15R2.2220 FCOc1ccc2ccccc2c1Br 7a_100000183829_100015361967 [0,1,0,1,0,0|2,0,0]=4 9731 B15R2.2220 FCOc1ccc2ccccc2c1Cl 34a_100000029778_100015361967 [0,1,0,1,0,0|2,0,0]=4 9732 B15R2.2220 FCOc1ccc2ccccc2c1Cl 7a_100000029778_100015361967 [0,1,0,1,0,0|2,0,0]=4 9733 B15R2.2220 FCOc1ccc2ccccc2c1I 34a_100000041551_100015361967 [0,1,0,1,0,0|2,0,0]=4 9734 B15R2.2220 FCOc1ccc2ccccc2c1I 7a_100000041551_100015361967 [0,1,0,1,0,0|2,0,0]=4 9735 B15R2.2220 Nc1c(ccc2c1cccc2)OCF 34a_100000007056_100015361967 [0,1,0,1,0,0|2,0,0]=4 9736 B15R2.2220 Nc1c(ccc2c1cccc2)OCF 7a_100000007056_100015361967 [0,1,0,1,0,0|2,0,0]=4 9737 B15R3.31603 c1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000233703 [0,0,0,2,0,0|2,0,0]=4 9738 B15R3.31603 c1ccc2nc(ccc2c1)C3CC3 271570a_100011220607_100011291633 [0,0,0,2,0,0|2,0,0]=4 9739 B11R0.5 C=CC=CC(=O)CC(=O)OCC 1458a_100016291481_100000188475 [0,0,1,0,1,0|1,0,1]=4 9740 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [1,0,0,0,1,0|2,0,0]=4 9741 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [1,0,0,0,1,0|1,0,0]=3 9742 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [1,0,0,0,1,0|1,0,0]=3 9743 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [1,0,0,0,1,0|1,0,0]=3 9744 B11R1.25 CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210202 [1,0,0,0,1,0|2,0,0]=4 9745 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [1,0,0,0,1,0|2,0,0]=4 9746 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [1,0,0,0,1,0|2,0,0]=4 9747 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [1,0,0,0,1,0|2,0,0]=4 9748 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [1,0,0,0,1,0|2,0,0]=4 9749 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [1,0,0,0,1,0|2,0,0]=4 9750 B11R1.25 CNC(=O)C=Cc1ccoc1 11a_106832991635_100000238621 [1,0,0,0,1,0|2,0,0]=4 9751 B11R1.25 CNC(=O)C=Cc1ccoc1 1626a_100102657272_100000238621 [1,0,0,0,1,0|2,0,0]=4 9752 B11R1.25 CNC(=O)C=Cc1ccoc1 240690a_100102657272_100000238621 [1,0,0,0,1,0|2,0,0]=4 9753 B11R1.25 CNC(=O)C=Cc1ccsc1 11a_106832991635_100000698588 [1,0,0,0,1,0|2,0,0]=4 9754 B11R1.25 CNC(=O)C=Cc1ccsc1 1626a_100102657272_100000698588 [1,0,0,0,1,0|2,0,0]=4 9755 B11R1.25 CNC(=O)C=Cc1ccsc1 240690a_100102657272_100000698588 [1,0,0,0,1,0|2,0,0]=4 9756 B11R1.25 CNC(=O)C=Cc1ccsc1 527a_100102657272_100000698588 [1,0,0,0,1,0|2,0,0]=4 9757 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [1,0,0,0,1,0|2,0,0]=4 9758 B11R1.25 O=C(C=Cc1ccoc1)CF 1458a_100000238621_100015361967 [1,0,0,0,1,0|2,0,0]=4 9759 B11R1.25 O=C(C=Cc1ccsc1)CF 1458a_100000698588_100015361967 [1,0,0,0,1,0|2,0,0]=4 9760 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,0,0,0,1,0|1,0,1]=4 9761 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,0,0,0,1,0|0,0,1]=3 9762 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,0,0,0,1,0|1,0,1]=4 9763 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,0,0,0,1,0|1,0,1]=4 9764 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,0,0,0,1,0|1,0,1]=4 9765 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,0,0,0,1,0|1,0,1]=4 9766 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,0,0,0,1,0|1,0,1]=4 9767 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,0,0,1,0|1,0,0]=3 9768 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,0,0,1,0|1,0,0]=3 9769 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,0,0,1,0|1,0,0]=3 9770 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,0,0,1,0|1,0,0]=3 9771 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,0,0,1,0|2,0,0]=4 9772 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,0,0,1,0|1,0,1]=4 9773 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,0,0,1,0|2,0,0]=4 9774 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,0,0,1,0|2,0,0]=4 9775 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,0,0,0,2,0|1,0,0]=3 9776 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,0,0,0,2,0|1,0,0]=3 9777 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,0,0,0,2,0|1,0,0]=3 9778 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,0,0,0,2,0|1,0,0]=3 9779 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,0,0,0,2,0|1,0,1]=4 9780 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,0,0,0,2,0|1,0,1]=4 9781 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,0,0,0,2,0|1,0,1]=4 9782 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,0,0,0,2,0|2,0,0]=4 9783 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,0,0,0,2,0|2,0,0]=4 9784 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,0,0,0,2,0|2,0,0]=4 9785 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,0,0,0,2,0|2,0,0]=4 9786 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,0,0,0,2,0|2,0,0]=4 9787 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,0,0,0,2,0|2,0,0]=4 9788 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,0,0,0,2,0|2,0,0]=4 9789 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,0,0,0,2,0|2,0,0]=4 9790 B15R1.778 CC=CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210699 [0,0,0,0,0,2|1,0,1]=4 9791 B15R1.778 CC=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210699 [0,0,0,0,0,2|1,0,1]=4 9792 B15R1.778 CC=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210699 [0,0,0,0,0,2|1,0,1]=4 9793 B15R1.778 CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210303 [0,0,0,0,0,2|1,0,0]=3 9794 B15R1.778 CCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000210303 [0,0,0,0,0,2|1,0,0]=3 9795 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000211992 [0,0,0,0,0,2|1,0,0]=3 9796 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000211992 [0,0,0,0,0,2|1,0,0]=3 9797 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000211992 [0,0,0,0,0,2|1,0,0]=3 9798 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000211992 [0,0,0,0,0,2|1,0,0]=3 9799 B15R1.778 CCCC(=O)NN=CCc1ccccc1 4a_100000189770_100000209964 [0,0,0,0,0,2|1,0,1]=4 9800 B15R1.778 CCNC(=O)C=CCCc1ccccc1 11a_100015525214_100016484021 [0,0,0,0,0,2|1,0,0]=3 9801 B15R1.778 CCNC(=O)C=CCCc1ccccc1 240690a_100015525214_100016484021 [0,0,0,0,0,2|1,0,0]=3 9802 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 2708a_100015525214_100020603302 [0,0,0,0,0,2|1,0,0]=3 9803 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100015525214 [0,0,0,0,0,2|1,0,0]=3 9804 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 273464a_100015525214_100020603302 [0,0,0,0,0,2|1,0,0]=3 9805 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100015525214 [0,0,0,0,0,2|1,0,0]=3 9806 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 512a_100015525214_100020603302 [0,0,0,0,0,2|1,0,0]=3 9807 B15R1.778 CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100015525214 [0,0,0,0,0,2|1,0,0]=3 9808 B15R1.778 CCOC(=O)/C=C/CNc1ccccc1 34a_100000106764_100016267167 [0,0,0,0,0,2|0,0,0]=2 9809 B15R1.778 CCOC(=O)/C=C/COc1ccccc1 34a_100000210340_100016267167 [0,0,0,0,0,2|0,0,0]=2 9810 B15R1.778 CCOC(=O)/C=C/COc1ccccc1 7a_100000210340_100016267167 [0,0,0,0,0,2|0,0,0]=2 9811 B15R1.778 CCOC(=O)/C=C/COc1cccnc1 34a_100000210849_100016267167 [0,0,0,0,0,2|1,0,0]=3 9812 B15R1.778 CCOC(=O)/C=C/COc1cccnc1 7a_100000210849_100016267167 [0,0,0,0,0,2|1,0,0]=3 9813 B15R1.778 CCOC(=O)/C=C/COc1ccncc1 34a_100000212176_100016267167 [0,0,0,0,0,2|1,0,0]=3 9814 B15R1.778 CCOC(=O)/C=C/COc1ccnnc1 34a_100015204005_100016267167 [0,0,0,0,0,2|2,0,0]=4 9815 B15R1.778 CCOC(=O)/C=C/COc1cncnc1 7a_100000754086_100016267167 [0,0,0,0,0,2|2,0,0]=4 9816 B15R1.778 CCOC(=O)/C=C/CSc1ccccc1 62a_100000719477_100016267167 [0,0,0,0,0,2|0,0,0]=2 9817 B15R1.778 CCOC(=O)/C=C/CSc1ccccc1 62a_100016267167_100000041952 [0,0,0,0,0,2|0,0,0]=2 9818 B15R1.778 CCOC(=O)/C=C/CSc1ccccn1 62a_100011216584_100016267167 [0,0,0,0,0,2|1,0,0]=3 9819 B15R1.778 CCOC(=O)/C=C/CSc1ccccn1 62a_100016267167_100011216584 [0,0,0,0,0,2|1,0,0]=3 9820 B15R1.778 CCOC(=O)/C=C/CSc1cccnc1 62a_100000210063_100016267167 [0,0,0,0,0,2|1,0,0]=3 9821 B15R1.778 CCOC(=O)/C=C/CSc1cccnc1 62a_100016267167_100000210063 [0,0,0,0,0,2|1,0,0]=3 9822 B15R1.778 CCOC(=O)/C=C/CSc1cccnn1 62a_100016267167_100016991348 [0,0,0,0,0,2|2,0,0]=4 9823 B15R1.778 CCOC(=O)/C=C/CSc1cccnn1 62a_100016991348_100016267167 [0,0,0,0,0,2|2,0,0]=4 9824 B15R1.778 CCOC(=O)/C=C/CSc1ccncc1 62a_100000728582_100016267167 [0,0,0,0,0,2|1,0,0]=3 9825 B15R1.778 CCOC(=O)/C=C/CSc1ccncc1 62a_100016267167_100000728582 [0,0,0,0,0,2|1,0,0]=3 9826 B15R1.778 CCOC(=O)/C=C/CSc1ccncn1 62a_100000703185_100016267167 [0,0,0,0,0,2|2,0,0]=4 9827 B15R1.778 CCOC(=O)/C=C/CSc1ccncn1 62a_100016267167_100000703185 [0,0,0,0,0,2|2,0,0]=4 9828 B15R1.778 CCOC(=O)/C=C/CSc1ccnnc1 62a_100000732662_100016267167 [0,0,0,0,0,2|2,0,0]=4 9829 B15R1.778 CCOC(=O)/C=C/CSc1ccnnc1 62a_100016267167_100000732662 [0,0,0,0,0,2|2,0,0]=4 9830 B15R1.778 CCOC(=O)/C=C/CSc1cnccn1 62a_100000211759_100016267167 [0,0,0,0,0,2|2,0,0]=4 9831 B15R1.778 CCOC(=O)/C=C/CSc1cnccn1 62a_100016267167_100000211759 [0,0,0,0,0,2|2,0,0]=4 9832 B15R1.778 CCOC(=O)/C=C/CSc1cncnc1 62a_100011206942_100016267167 [0,0,0,0,0,2|2,0,0]=4 9833 B15R1.778 CCOC(=O)/C=C/CSc1cncnc1 62a_100016267167_100011206942 [0,0,0,0,0,2|2,0,0]=4 9834 B15R1.778 CCOC(=O)/C=C/CSc1ncccn1 62a_100000211032_100016267167 [0,0,0,0,0,2|2,0,0]=4 9835 B15R1.778 CCOC(=O)/C=C/CSc1ncccn1 62a_100016267167_100000211032 [0,0,0,0,0,2|2,0,0]=4 9836 B15R1.778 CCOC(=O)C=NNCc1ccccc1 4a_100000007032_100000742314 [0,0,0,0,0,2|0,0,1]=3 9837 B15R1.778 CCOC(=O)C=NNCc1ccccn1 4a_100000736832_100000742314 [0,0,0,0,0,2|1,0,1]=4 9838 B15R1.778 CCOC(=O)C=NNCc1cccnc1 4a_100000738295_100000742314 [0,0,0,0,0,2|1,0,1]=4 9839 B15R1.778 CCOC(=O)C=NNCc1ccncc1 4a_100000736929_100000742314 [0,0,0,0,0,2|1,0,1]=4 9840 B15R1.778 CCOC(=O)CCCNc1ccccc1 34a_100000106764_100009991533 [0,0,0,0,0,2|0,0,2]=4 9841 B15R1.778 CCOC(=O)CCCOc1ccccc1 34a_100000210340_100009991533 [0,0,0,0,0,2|0,0,2]=4 9842 B15R1.778 CCOC(=O)CCCOc1ccccc1 7a_100000210340_100011215271 [0,0,0,0,0,2|0,0,2]=4 9843 B15R1.778 CCOC(=O)CCCSc1ccccc1 62a_100000719477_100009991533 [0,0,0,0,0,2|0,0,2]=4 9844 B15R1.778 CCOC(=O)CCCSc1ccccc1 62a_100009991533_100000041952 [0,0,0,0,0,2|0,0,2]=4 9845 B15R1.778 CCOC(=O)CCNCc1ccccc1 2230a_100015324214_100011206558 [0,0,0,0,0,2|0,0,2]=4 9846 B15R1.778 CCOC(=O)CCNCc1ccccc1 34a_100015324214_100000765890 [0,0,0,0,0,2|0,0,2]=4 9847 B15R1.778 CCOC(=O)CCOCc1ccccc1 34a_100000210790_100000765890 [0,0,0,0,0,2|0,0,2]=4 9848 B15R1.778 CCOC(=O)CCOCc1ccccc1 7a_100000210790_100011206558 [0,0,0,0,0,2|0,0,2]=4 9849 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000211182_100000765890 [0,0,0,0,0,2|0,0,2]=4 9850 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000765890_100015291786 [0,0,0,0,0,2|0,0,2]=4 9851 B15R1.778 CCOC(=O)CNCCc1ccccc1 2230a_100000106460_100000188475 [0,0,0,0,0,2|0,0,2]=4 9852 B15R1.778 CCOC(=O)CNCCc1ccccc1 34a_100000106460_100000188475 [0,0,0,0,0,2|0,0,2]=4 9853 B15R1.778 CCOC(=O)COCCc1ccccc1 34a_100000210268_100000188475 [0,0,0,0,0,2|0,0,2]=4 9854 B15R1.778 CCOC(=O)COCCc1ccccc1 7a_100000210268_100000188475 [0,0,0,0,0,2|0,0,2]=4 9855 B15R1.778 CCOC(=O)CSCCc1ccccc1 62a_100000188475_100011218657 [0,0,0,0,0,2|0,0,2]=4 9856 B15R1.778 CCOC(=O)CSCCc1ccccc1 62a_100000765856_100000188475 [0,0,0,0,0,2|0,0,2]=4 9857 B15R1.778 CCOC(=O)CSCSc1ccccc1 62a_100000188475_100011218342 [0,0,0,0,0,2|0,0,2]=4 9858 B15R1.778 CCOC(=O)CSCSc1ccccc1 62a_100011218342_100000188475 [0,0,0,0,0,2|0,0,2]=4 9859 B15R1.778 CCOC(=O)NCCOc1ccccc1 7a_100000210340_200011445536 [0,0,0,0,0,2|0,0,2]=4 9860 B15R1.778 CCOC(=O)NCCSc1ccccc1 62a_100000719477_200011445536 [0,0,0,0,0,2|0,0,2]=4 9861 B15R1.778 CCOC(=O)OCSCc1ccccc1 62a_100000211182_100000075025 [0,0,0,0,0,2|0,0,2]=4 9862 B15R1.778 CCOC(=O)[CH-]C=NNc1ccccc1 4a_100015195140_100010622808 [0,0,0,0,0,2|0,0,1]=3 9863 B15R1.778 CCOC(=O)[CH-]C=NNc1ccccn1 4a_100000183288_100010622808 [0,0,0,0,0,2|1,0,1]=4 9864 B15R1.778 CCOC(=O)[CH-]C=NNc1cccnc1 4a_100000728903_100010622808 [0,0,0,0,0,2|1,0,1]=4 9865 B15R1.778 CCOC(=O)[CH-]C=NNc1ccncc1 4a_100000698918_100010622808 [0,0,0,0,0,2|1,0,1]=4 9866 B15R1.778 CNCC(=O)NC/C=C/c1ccccc1 2230a_106832991635_100102863107 [0,0,0,0,0,2|2,0,0]=4 9867 B15R1.778 CNCC(=O)NC/C=C/c1ccccc1 34a_100102657272_100102863107 [0,0,0,0,0,2|2,0,0]=4 9868 B15R1.778 CNCC(=O)NC/C=C/c1ccccc1 7a_106832991635_100102863107 [0,0,0,0,0,2|2,0,0]=4 9869 B15R1.778 CNNC(=O)C=C/C=C/c1ccccc1 22a_100016993582_100016289705 [0,0,0,0,0,2|2,0,0]=4 9870 B15R1.778 CNNC(=O)C=CCCc1ccccc1 22a_100016993582_100016484021 [0,0,0,0,0,2|2,0,0]=4 9871 B15R1.778 CNNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100016993582 [0,0,0,0,0,2|2,0,0]=4 9872 B15R1.778 CNNC(=O)NC/C=C/c1ccccc1 512a_100016993582_100020603302 [0,0,0,0,0,2|2,0,0]=4 9873 B15R1.778 CNNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100016993582 [0,0,0,0,0,2|2,0,0]=4 9874 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210968 [0,0,0,0,0,2|2,0,0]=4 9875 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210968 [0,0,0,0,0,2|2,0,0]=4 9876 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210968 [0,0,0,0,0,2|2,0,0]=4 9877 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 34a_100138415774_100102863107 [0,0,0,0,0,2|2,0,0]=4 9878 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210968 [0,0,0,0,0,2|2,0,0]=4 9879 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000184570 [0,0,0,0,0,2|2,0,0]=4 9880 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000184570 [0,0,0,0,0,2|2,0,0]=4 9881 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000184570 [0,0,0,0,0,2|2,0,0]=4 9882 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000184570 [0,0,0,0,0,2|2,0,0]=4 9883 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 62a_100102863107_200000210301 [0,0,0,0,0,2|2,0,0]=4 9884 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 62a_200000210301_100102863107 [0,0,0,0,0,2|2,0,0]=4 9885 B15R1.778 O=C(C=C/C=C/c1ccccc1)CCF 1458a_100016289705_100011217306 [0,0,0,0,0,2|2,0,0]=4 9886 B15R1.778 O=C(C=C/C=C/c1ccccc1)CCO 1458a_100016289705_100000211926 [0,0,0,0,0,2|2,0,0]=4 9887 B15R1.778 O=C(C=CCCc1ccccc1)CCF 1458a_100016484021_100011217306 [0,0,0,0,0,2|2,0,0]=4 9888 B15R1.778 O=C(C=CCCc1ccccc1)CCO 1458a_100016484021_100000211926 [0,0,0,0,0,2|2,0,0]=4 9889 B15R1.778 O=C(CCO)NC/C=C/c1ccccc1 240690a_100020603302_100011216618 [0,0,0,0,0,2|2,0,0]=4 9890 B15R1.778 [13CH3]SCC(=O)NC/C=C/c1ccccc1 62a_100102863107_200025704644 [0,0,0,0,0,2|2,0,0]=4 9891 B15R1.778 [13CH3]SCC(=O)NC/C=C/c1ccccc1 62a_200025704644_100102863107 [0,0,0,0,0,2|2,0,0]=4