0 B15R1.78 C#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731252 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.78 C#CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000731252 [0,0,0,0,0,0|2,0,2]=4 2 B15R1.78 C#CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000731252 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.78 C#CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000731252 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 11a_100000755551_100000210462 [0,0,0,0,0,0|1,0,2]=3 5 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 1626a_100000755551_100000210462 [0,0,0,0,0,0|1,0,2]=3 6 B15R1.78 C#CCCNC(=O)C=Cc1ccccn1 11a_100000755551_100000740811 [0,0,0,0,0,0|2,0,2]=4 7 B15R1.78 C#CCCNC(=O)C=Cc1ccccn1 240690a_100000755551_100000740811 [0,0,0,0,0,0|2,0,2]=4 8 B15R1.78 C#CCCNC(=O)C=Cc1cccnc1 11a_100000755551_100000735890 [0,0,0,0,0,0|2,0,2]=4 9 B15R1.78 C#CCCNC(=O)C=Cc1cccnc1 240690a_100000755551_100000735890 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.78 C#CCCNC(=O)C=Cc1ccncc1 240690a_100000755551_100000682801 [0,0,0,0,0,0|2,0,2]=4 11 B15R1.78 C=CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757094 [0,0,0,0,0,0|1,0,2]=3 12 B15R1.78 C=CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757094 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.78 C=CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757094 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.78 C=CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757094 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 11a_100015191253_100000210462 [0,0,0,0,0,0|1,0,2]=3 16 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 1626a_100015191253_100000210462 [0,0,0,0,0,0|1,0,2]=3 17 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 11a_100015191253_100000740811 [0,0,0,0,0,0|2,0,2]=4 18 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 240690a_100015191253_100000740811 [0,0,0,0,0,0|2,0,2]=4 19 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 11a_100015191253_100000735890 [0,0,0,0,0,0|2,0,2]=4 20 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 240690a_100015191253_100000735890 [0,0,0,0,0,0|2,0,2]=4 21 B15R1.78 C=CCCNC(=O)C=Cc1ccncc1 240690a_100015191253_100000682801 [0,0,0,0,0,0|2,0,2]=4 22 B15R1.78 C=CCNNC(=O)C=Cc1ccccc1 22a_100020588587_100000210462 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.78 C=COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000039644 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 11a_100000685387_100000210462 [0,0,0,0,0,0|1,0,2]=3 25 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 1626a_100000685387_100000210462 [0,0,0,0,0,0|1,0,2]=3 26 B15R1.78 CC#CCNC(=O)C=Cc1ccccn1 11a_100000685387_100000740811 [0,0,0,0,0,0|2,0,2]=4 27 B15R1.78 CC#CCNC(=O)C=Cc1cccnc1 11a_100000685387_100000735890 [0,0,0,0,0,0|2,0,2]=4 28 B15R1.78 CC(=NNCCO)C=Cc1ccccc1 4a_100000210001_100000204604 [0,0,0,0,0,0|4,0,0]=4 29 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccc1 1458a_100000210462_100103147603 [0,0,0,0,0,0|1,0,2]=3 30 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccn1 1458a_100000740811_100103147603 [0,0,0,0,0,0|2,0,2]=4 31 B15R1.78 CC/C=C\CC(=O)C=Cc1cccnc1 1458a_100000735890_100103147603 [0,0,0,0,0,0|2,0,2]=4 32 B15R1.78 CC/C=C\CC(=O)C=Cc1ccncc1 1458a_100000682801_100103147603 [0,0,0,0,0,0|2,0,2]=4 33 B15R1.78 CCC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100009813939 [0,0,0,0,0,0|1,0,2]=3 34 B15R1.78 CCC#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100009813939 [0,0,0,0,0,0|2,0,2]=4 35 B15R1.78 CCC#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100009813939 [0,0,0,0,0,0|2,0,2]=4 36 B15R1.78 CCC#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100009813939 [0,0,0,0,0,0|2,0,2]=4 37 B15R1.78 CCCC#CC(=O)CCc1ccccc1 1458a_200011218047_100000765856 [0,0,0,0,0,0|1,0,3]=4 38 B15R1.78 CCCC#CC(=O)NCc1ccccc1 240690a_100015324214_200011218047 [0,0,0,0,0,0|2,0,2]=4 39 B15R1.78 CCCC#CC(=O)NNc1ccccc1 22a_100015195140_200011218047 [0,0,0,0,0,0|3,0,1]=4 40 B15R1.78 CCCC=CC(=O)CCc1ccccc1 1458a_100000212230_100000765856 [0,0,0,0,0,0|1,0,3]=4 41 B15R1.78 CCCC=CC(=O)NCc1ccccc1 11a_100015324214_100000212230 [0,0,0,0,0,0|2,0,2]=4 42 B15R1.78 CCCC=CC(=O)NCc1ccccc1 1626a_100015324214_100000212230 [0,0,0,0,0,0|2,0,2]=4 43 B15R1.78 CCCC=CC(=O)NCc1ccccc1 240690a_100015324214_100000212230 [0,0,0,0,0,0|2,0,2]=4 44 B15R1.78 CCCC=CC(=O)NNc1ccccc1 22a_100015195140_100000212230 [0,0,0,0,0,0|3,0,1]=4 45 B15R1.78 CCCCCC(=NNc1ccccc1)C 4a_100015195140_100000211708 [0,0,0,0,0,0|4,0,0]=4 46 B15R1.78 CCCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210326 [0,0,0,0,0,0|1,0,2]=3 47 B15R1.78 CCCCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210326 [0,0,0,0,0,0|2,0,2]=4 48 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [0,0,0,0,0,0|1,0,0]=1 49 B15R1.78 CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210326 [0,0,0,0,0,0|2,0,0]=2 50 B15R1.78 CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210326 [0,0,0,0,0,0|2,0,0]=2 51 B15R1.78 CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210326 [0,0,0,0,0,0|2,0,0]=2 52 B15R1.78 CCCCCC(=O)C=Cc1cncnc1 6a_100000749868_100011215151 [0,0,0,0,0,0|3,0,0]=3 53 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210326 [0,0,0,0,0,0|1,0,2]=3 54 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000212188_100000765856 [0,0,0,0,0,0|1,0,2]=3 55 B15R1.78 CCCCCC(=O)CCc1ccccn1 1458a_100000212188_100015183660 [0,0,0,0,0,0|2,0,2]=4 56 B15R1.78 CCCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210326 [0,0,0,0,0,0|2,0,2]=4 57 B15R1.78 CCCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210326 [0,0,0,0,0,0|2,0,2]=4 58 B15R1.78 CCCCCC(=O)CCc1cccnc1 1458a_100000212188_200011713674 [0,0,0,0,0,0|2,0,2]=4 59 B15R1.78 CCCCCC(=O)CCc1ccncc1 1458a_100000212188_100000723409 [0,0,0,0,0,0|2,0,2]=4 60 B15R1.78 CCCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210326 [0,0,0,0,0,0|2,0,2]=4 61 B15R1.78 CCCCCC(=O)CNc1ccccc1 34a_100000106764_200012276598 [0,0,0,0,0,0|2,0,1]=3 62 B15R1.78 CCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210326 [0,0,0,0,0,0|2,0,1]=3 63 B15R1.78 CCCCCC(=O)COc1ccccc1 34a_100000210340_200012276598 [0,0,0,0,0,0|2,0,1]=3 64 B15R1.78 CCCCCC(=O)COc1ccccc1 7a_100000210340_200012276598 [0,0,0,0,0,0|2,0,1]=3 65 B15R1.78 CCCCCC(=O)COc1ccccn1 1458a_100102699861_100000210326 [0,0,0,0,0,0|3,0,1]=4 66 B15R1.78 CCCCCC(=O)COc1cccnc1 1458a_100015207166_100000210326 [0,0,0,0,0,0|3,0,1]=4 67 B15R1.78 CCCCCC(=O)COc1cccnc1 34a_100000210849_200012276598 [0,0,0,0,0,0|3,0,1]=4 68 B15R1.78 CCCCCC(=O)COc1cccnc1 7a_100000210849_200012276598 [0,0,0,0,0,0|3,0,1]=4 69 B15R1.78 CCCCCC(=O)COc1ccncc1 34a_100000212176_200012276598 [0,0,0,0,0,0|3,0,1]=4 70 B15R1.78 CCCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210326 [0,0,0,0,0,0|2,0,1]=3 71 B15R1.78 CCCCCC(=O)CSc1ccccc1 62a_100000719477_200012276598 [0,0,0,0,0,0|2,0,1]=3 72 B15R1.78 CCCCCC(=O)CSc1ccccc1 62a_200012276598_100000041952 [0,0,0,0,0,0|2,0,1]=3 73 B15R1.78 CCCCCC(=O)CSc1ccccn1 1458a_100000156281_100000210326 [0,0,0,0,0,0|3,0,1]=4 74 B15R1.78 CCCCCC(=O)CSc1ccccn1 62a_100011216584_200012276598 [0,0,0,0,0,0|3,0,1]=4 75 B15R1.78 CCCCCC(=O)CSc1ccccn1 62a_200012276598_100011216584 [0,0,0,0,0,0|3,0,1]=4 76 B15R1.78 CCCCCC(=O)CSc1cccnc1 62a_100000210063_200012276598 [0,0,0,0,0,0|3,0,1]=4 77 B15R1.78 CCCCCC(=O)CSc1cccnc1 62a_200012276598_100000210063 [0,0,0,0,0,0|3,0,1]=4 78 B15R1.78 CCCCCC(=O)CSc1ccncc1 1458a_100000211328_100000210326 [0,0,0,0,0,0|3,0,1]=4 79 B15R1.78 CCCCCC(=O)CSc1ccncc1 62a_100000728582_200012276598 [0,0,0,0,0,0|3,0,1]=4 80 B15R1.78 CCCCCC(=O)CSc1ccncc1 62a_200012276598_100000728582 [0,0,0,0,0,0|3,0,1]=4 81 B15R1.78 CCCCCC(=O)NCc1ccccc1 11a_100015324214_100000212188 [0,0,0,0,0,0|2,0,1]=3 82 B15R1.78 CCCCCC(=O)NCc1ccccc1 1626a_100015324214_100000212188 [0,0,0,0,0,0|2,0,1]=3 83 B15R1.78 CCCCCC(=O)NCc1ccccc1 240690a_100015324214_100000212188 [0,0,0,0,0,0|2,0,1]=3 84 B15R1.78 CCCCCC(=O)NCc1ccccc1 527a_100015324214_100000212188 [0,0,0,0,0,0|2,0,1]=3 85 B15R1.78 CCCCCC(=O)NCc1ccccn1 11a_100000210449_100000212188 [0,0,0,0,0,0|3,0,1]=4 86 B15R1.78 CCCCCC(=O)NCc1ccccn1 1626a_100000210449_100000212188 [0,0,0,0,0,0|3,0,1]=4 87 B15R1.78 CCCCCC(=O)NCc1ccccn1 240690a_100000210449_100000212188 [0,0,0,0,0,0|3,0,1]=4 88 B15R1.78 CCCCCC(=O)NCc1ccccn1 527a_100000210449_100000212188 [0,0,0,0,0,0|3,0,1]=4 89 B15R1.78 CCCCCC(=O)NCc1cccnc1 11a_100000210453_100000212188 [0,0,0,0,0,0|3,0,1]=4 90 B15R1.78 CCCCCC(=O)NCc1cccnc1 240690a_100000210453_100000212188 [0,0,0,0,0,0|3,0,1]=4 91 B15R1.78 CCCCCC(=O)NCc1cccnc1 527a_100000210453_100000212188 [0,0,0,0,0,0|3,0,1]=4 92 B15R1.78 CCCCCC(=O)NCc1ccncc1 11a_100000210450_100000212188 [0,0,0,0,0,0|3,0,1]=4 93 B15R1.78 CCCCCC(=O)NCc1ccncc1 1626a_100000210450_100000212188 [0,0,0,0,0,0|3,0,1]=4 94 B15R1.78 CCCCCC(=O)NCc1ccncc1 240690a_100000210450_100000212188 [0,0,0,0,0,0|3,0,1]=4 95 B15R1.78 CCCCCC(=O)NCc1ccncc1 527a_100000210450_100000212188 [0,0,0,0,0,0|3,0,1]=4 96 B15R1.78 CCCCCC(=O)NNc1ccccc1 22a_100015195140_100000212188 [0,0,0,0,0,0|3,0,0]=3 97 B15R1.78 CCCCCC(=O)NNc1ccccn1 22a_100000183288_100000212188 [0,0,0,0,0,0|4,0,0]=4 98 B15R1.78 CCCCCC(=O)NNc1cccnc1 22a_100000728903_100000212188 [0,0,0,0,0,0|4,0,0]=4 99 B15R1.78 CCCCCC(=O)NNc1ccncc1 22a_100000698918_100000212188 [0,0,0,0,0,0|4,0,0]=4 100 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 240690a_100000102301_100000736102 [0,0,0,0,0,0|1,0,2]=3 101 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [0,0,0,0,0,0|1,0,0]=1 102 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [0,0,0,0,0,0|1,0,0]=1 103 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 11a_100000102301_100000740811 [0,0,0,0,0,0|2,0,0]=2 104 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 240690a_100000102301_100000740811 [0,0,0,0,0,0|2,0,0]=2 105 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 11a_100000102301_100000735890 [0,0,0,0,0,0|2,0,0]=2 106 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 240690a_100000102301_100000735890 [0,0,0,0,0,0|2,0,0]=2 107 B15R1.78 CCCCNC(=O)C=Cc1ccncc1 240690a_100000102301_100000682801 [0,0,0,0,0,0|2,0,0]=2 108 B15R1.78 CCCCNC(=O)CCc1ccccc1 11a_100000102301_100000185753 [0,0,0,0,0,0|1,0,2]=3 109 B15R1.78 CCCCNC(=O)CCc1ccccc1 1626a_100000102301_100000185753 [0,0,0,0,0,0|1,0,2]=3 110 B15R1.78 CCCCNC(=O)CCc1ccccc1 240690a_100000102301_100000185753 [0,0,0,0,0,0|1,0,2]=3 111 B15R1.78 CCCCNC(=O)CCc1ccccc1 527a_100000102301_100000185753 [0,0,0,0,0,0|1,0,2]=3 112 B15R1.78 CCCCNC(=O)CCc1ccccn1 11a_100000102301_100015195070 [0,0,0,0,0,0|2,0,2]=4 113 B15R1.78 CCCCNC(=O)CCc1ccccn1 240690a_100000102301_100015195070 [0,0,0,0,0,0|2,0,2]=4 114 B15R1.78 CCCCNC(=O)CCc1ccccn1 527a_100000102301_100015195070 [0,0,0,0,0,0|2,0,2]=4 115 B15R1.78 CCCCNC(=O)CCc1cccnc1 11a_100000102301_100000198484 [0,0,0,0,0,0|2,0,2]=4 116 B15R1.78 CCCCNC(=O)CCc1cccnc1 1626a_100000102301_100000198484 [0,0,0,0,0,0|2,0,2]=4 117 B15R1.78 CCCCNC(=O)CCc1cccnc1 240690a_100000102301_100000198484 [0,0,0,0,0,0|2,0,2]=4 118 B15R1.78 CCCCNC(=O)CCc1cccnc1 527a_100000102301_100000198484 [0,0,0,0,0,0|2,0,2]=4 119 B15R1.78 CCCCNC(=O)CCc1ccncc1 11a_100000102301_100011225043 [0,0,0,0,0,0|2,0,2]=4 120 B15R1.78 CCCCNC(=O)CCc1ccncc1 240690a_100000102301_100011225043 [0,0,0,0,0,0|2,0,2]=4 121 B15R1.78 CCCCNC(=O)CCc1ccncc1 527a_100000102301_100011225043 [0,0,0,0,0,0|2,0,2]=4 122 B15R1.78 CCCCNC(=O)CNc1ccccc1 34a_100000106764_100000182744 [0,0,0,0,0,0|2,0,1]=3 123 B15R1.78 CCCCNC(=O)COc1ccccc1 11a_100000102301_100000186222 [0,0,0,0,0,0|2,0,1]=3 124 B15R1.78 CCCCNC(=O)COc1ccccc1 1626a_100000102301_100000186222 [0,0,0,0,0,0|2,0,1]=3 125 B15R1.78 CCCCNC(=O)COc1ccccc1 240690a_100000102301_100000186222 [0,0,0,0,0,0|2,0,1]=3 126 B15R1.78 CCCCNC(=O)COc1ccccc1 34a_100000210340_100000182744 [0,0,0,0,0,0|2,0,1]=3 127 B15R1.78 CCCCNC(=O)COc1ccccc1 527a_100000102301_100000186222 [0,0,0,0,0,0|2,0,1]=3 128 B15R1.78 CCCCNC(=O)COc1ccccc1 7a_100000210340_100000182744 [0,0,0,0,0,0|2,0,1]=3 129 B15R1.78 CCCCNC(=O)COc1ccccn1 1626a_100000102301_100102699861 [0,0,0,0,0,0|3,0,1]=4 130 B15R1.78 CCCCNC(=O)COc1ccccn1 240690a_100000102301_100102699861 [0,0,0,0,0,0|3,0,1]=4 131 B15R1.78 CCCCNC(=O)COc1ccccn1 527a_100000102301_100102699861 [0,0,0,0,0,0|3,0,1]=4 132 B15R1.78 CCCCNC(=O)COc1cccnc1 11a_100000102301_100015207166 [0,0,0,0,0,0|3,0,1]=4 133 B15R1.78 CCCCNC(=O)COc1cccnc1 1626a_100000102301_100015207166 [0,0,0,0,0,0|3,0,1]=4 134 B15R1.78 CCCCNC(=O)COc1cccnc1 240690a_100000102301_100015207166 [0,0,0,0,0,0|3,0,1]=4 135 B15R1.78 CCCCNC(=O)COc1cccnc1 34a_100000210849_100000182744 [0,0,0,0,0,0|3,0,1]=4 136 B15R1.78 CCCCNC(=O)COc1cccnc1 527a_100000102301_100015207166 [0,0,0,0,0,0|3,0,1]=4 137 B15R1.78 CCCCNC(=O)COc1cccnc1 7a_100000210849_100000182744 [0,0,0,0,0,0|3,0,1]=4 138 B15R1.78 CCCCNC(=O)COc1ccncc1 34a_100000212176_100000182744 [0,0,0,0,0,0|3,0,1]=4 139 B15R1.78 CCCCNC(=O)CSc1ccccc1 11a_100000102301_100000211596 [0,0,0,0,0,0|2,0,1]=3 140 B15R1.78 CCCCNC(=O)CSc1ccccc1 1626a_100000102301_100000211596 [0,0,0,0,0,0|2,0,1]=3 141 B15R1.78 CCCCNC(=O)CSc1ccccc1 240690a_100000102301_100000211596 [0,0,0,0,0,0|2,0,1]=3 142 B15R1.78 CCCCNC(=O)CSc1ccccc1 527a_100000102301_100000211596 [0,0,0,0,0,0|2,0,1]=3 143 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000182744_100000041952 [0,0,0,0,0,0|2,0,1]=3 144 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000719477_100000182744 [0,0,0,0,0,0|2,0,1]=3 145 B15R1.78 CCCCNC(=O)CSc1ccccn1 11a_100000102301_100000156281 [0,0,0,0,0,0|3,0,1]=4 146 B15R1.78 CCCCNC(=O)CSc1ccccn1 240690a_100000102301_100000156281 [0,0,0,0,0,0|3,0,1]=4 147 B15R1.78 CCCCNC(=O)CSc1ccccn1 527a_100000102301_100000156281 [0,0,0,0,0,0|3,0,1]=4 148 B15R1.78 CCCCNC(=O)CSc1ccccn1 62a_100000182744_100011216584 [0,0,0,0,0,0|3,0,1]=4 149 B15R1.78 CCCCNC(=O)CSc1ccccn1 62a_100011216584_100000182744 [0,0,0,0,0,0|3,0,1]=4 150 B15R1.78 CCCCNC(=O)CSc1cccnc1 62a_100000182744_100000210063 [0,0,0,0,0,0|3,0,1]=4 151 B15R1.78 CCCCNC(=O)CSc1cccnc1 62a_100000210063_100000182744 [0,0,0,0,0,0|3,0,1]=4 152 B15R1.78 CCCCNC(=O)CSc1ccncc1 11a_100000102301_100000211328 [0,0,0,0,0,0|3,0,1]=4 153 B15R1.78 CCCCNC(=O)CSc1ccncc1 1626a_100000102301_100000211328 [0,0,0,0,0,0|3,0,1]=4 154 B15R1.78 CCCCNC(=O)CSc1ccncc1 240690a_100000102301_100000211328 [0,0,0,0,0,0|3,0,1]=4 155 B15R1.78 CCCCNC(=O)CSc1ccncc1 527a_100000102301_100000211328 [0,0,0,0,0,0|3,0,1]=4 156 B15R1.78 CCCCNC(=O)CSc1ccncc1 62a_100000182744_100000728582 [0,0,0,0,0,0|3,0,1]=4 157 B15R1.78 CCCCNC(=O)CSc1ccncc1 62a_100000728582_100000182744 [0,0,0,0,0,0|3,0,1]=4 158 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100000102301_100015324214 [0,0,0,0,0,0|2,0,1]=3 159 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000102301 [0,0,0,0,0,0|2,0,1]=3 160 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100000102301_100015324214 [0,0,0,0,0,0|2,0,1]=3 161 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000102301 [0,0,0,0,0,0|2,0,1]=3 162 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100000102301_100015324214 [0,0,0,0,0,0|2,0,1]=3 163 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100015324214_100000102301 [0,0,0,0,0,0|2,0,1]=3 164 B15R1.78 CCCCNC(=O)NCc1ccccn1 2708a_100000102301_100000210449 [0,0,0,0,0,0|3,0,1]=4 165 B15R1.78 CCCCNC(=O)NCc1ccccn1 2708a_100000210449_100000102301 [0,0,0,0,0,0|3,0,1]=4 166 B15R1.78 CCCCNC(=O)NCc1ccccn1 273464a_100000102301_100000210449 [0,0,0,0,0,0|3,0,1]=4 167 B15R1.78 CCCCNC(=O)NCc1ccccn1 273464a_100000210449_100000102301 [0,0,0,0,0,0|3,0,1]=4 168 B15R1.78 CCCCNC(=O)NCc1ccccn1 512a_100000102301_100000210449 [0,0,0,0,0,0|3,0,1]=4 169 B15R1.78 CCCCNC(=O)NCc1cccnc1 2708a_100000102301_100000210453 [0,0,0,0,0,0|3,0,1]=4 170 B15R1.78 CCCCNC(=O)NCc1cccnc1 2708a_100000210453_100000102301 [0,0,0,0,0,0|3,0,1]=4 171 B15R1.78 CCCCNC(=O)NCc1cccnc1 273464a_100000102301_100000210453 [0,0,0,0,0,0|3,0,1]=4 172 B15R1.78 CCCCNC(=O)NCc1cccnc1 273464a_100000210453_100000102301 [0,0,0,0,0,0|3,0,1]=4 173 B15R1.78 CCCCNC(=O)NCc1cccnc1 512a_100000102301_100000210453 [0,0,0,0,0,0|3,0,1]=4 174 B15R1.78 CCCCNC(=O)NCc1cccnc1 512a_100000210453_100000102301 [0,0,0,0,0,0|3,0,1]=4 175 B15R1.78 CCCCNC(=O)NCc1ccncc1 2708a_100000102301_100000210450 [0,0,0,0,0,0|3,0,1]=4 176 B15R1.78 CCCCNC(=O)NCc1ccncc1 2708a_100000210450_100000102301 [0,0,0,0,0,0|3,0,1]=4 177 B15R1.78 CCCCNC(=O)NCc1ccncc1 273464a_100000102301_100000210450 [0,0,0,0,0,0|3,0,1]=4 178 B15R1.78 CCCCNC(=O)NCc1ccncc1 273464a_100000210450_100000102301 [0,0,0,0,0,0|3,0,1]=4 179 B15R1.78 CCCCNC(=O)NCc1ccncc1 512a_100000102301_100000210450 [0,0,0,0,0,0|3,0,1]=4 180 B15R1.78 CCCCNC(=O)NNc1ccccc1 273464a_100000102301_100015195140 [0,0,0,0,0,0|3,0,0]=3 181 B15R1.78 CCCCNC(=O)NNc1ccccc1 512a_100000102301_100015195140 [0,0,0,0,0,0|3,0,0]=3 182 B15R1.78 CCCCNC(=O)NNc1ccccn1 273464a_100000102301_100000183288 [0,0,0,0,0,0|4,0,0]=4 183 B15R1.78 CCCCNC(=O)NNc1ccccn1 512a_100000102301_100000183288 [0,0,0,0,0,0|4,0,0]=4 184 B15R1.78 CCCCNC(=O)NNc1cccnc1 273464a_100000102301_100000728903 [0,0,0,0,0,0|4,0,0]=4 185 B15R1.78 CCCCNC(=O)NNc1cccnc1 512a_100000102301_100000728903 [0,0,0,0,0,0|4,0,0]=4 186 B15R1.78 CCCCNC(=O)NNc1ccncc1 273464a_100000102301_100000698918 [0,0,0,0,0,0|4,0,0]=4 187 B15R1.78 CCCCNC(=O)NNc1ccncc1 512a_100000102301_100000698918 [0,0,0,0,0,0|4,0,0]=4 188 B15R1.78 CCCCOC(=O)CNc1ccccc1 34a_100000106764_100000211628 [0,0,0,0,0,0|1,0,1]=2 189 B15R1.78 CCCCOC(=O)COc1ccccc1 34a_100000210340_100000211628 [0,0,0,0,0,0|1,0,1]=2 190 B15R1.78 CCCCOC(=O)COc1ccccc1 7a_100000210340_100000211628 [0,0,0,0,0,0|1,0,1]=2 191 B15R1.78 CCCCOC(=O)COc1cccnc1 34a_100000210849_100000211628 [0,0,0,0,0,0|2,0,1]=3 192 B15R1.78 CCCCOC(=O)COc1cccnc1 7a_100000210849_100000211628 [0,0,0,0,0,0|2,0,1]=3 193 B15R1.78 CCCCOC(=O)COc1ccncc1 34a_100000212176_100000211628 [0,0,0,0,0,0|2,0,1]=3 194 B15R1.78 CCCCOC(=O)COc1ccnnc1 34a_100015204005_100000211628 [0,0,0,0,0,0|3,0,1]=4 195 B15R1.78 CCCCOC(=O)COc1cncnc1 7a_100000754086_100000211628 [0,0,0,0,0,0|3,0,1]=4 196 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000211628_100000041952 [0,0,0,0,0,0|1,0,1]=2 197 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000719477_100000211628 [0,0,0,0,0,0|1,0,1]=2 198 B15R1.78 CCCCOC(=O)CSc1ccccn1 62a_100000211628_100011216584 [0,0,0,0,0,0|2,0,1]=3 199 B15R1.78 CCCCOC(=O)CSc1ccccn1 62a_100011216584_100000211628 [0,0,0,0,0,0|2,0,1]=3 200 B15R1.78 CCCCOC(=O)CSc1cccnc1 62a_100000210063_100000211628 [0,0,0,0,0,0|2,0,1]=3 201 B15R1.78 CCCCOC(=O)CSc1cccnc1 62a_100000211628_100000210063 [0,0,0,0,0,0|2,0,1]=3 202 B15R1.78 CCCCOC(=O)CSc1cccnn1 62a_100000211628_100016991348 [0,0,0,0,0,0|3,0,1]=4 203 B15R1.78 CCCCOC(=O)CSc1cccnn1 62a_100016991348_100000211628 [0,0,0,0,0,0|3,0,1]=4 204 B15R1.78 CCCCOC(=O)CSc1ccncc1 62a_100000211628_100000728582 [0,0,0,0,0,0|2,0,1]=3 205 B15R1.78 CCCCOC(=O)CSc1ccncc1 62a_100000728582_100000211628 [0,0,0,0,0,0|2,0,1]=3 206 B15R1.78 CCCCOC(=O)CSc1ccncn1 62a_100000211628_100000703185 [0,0,0,0,0,0|3,0,1]=4 207 B15R1.78 CCCCOC(=O)CSc1ccncn1 62a_100000703185_100000211628 [0,0,0,0,0,0|3,0,1]=4 208 B15R1.78 CCCCOC(=O)CSc1ccnnc1 62a_100000211628_100000732662 [0,0,0,0,0,0|3,0,1]=4 209 B15R1.78 CCCCOC(=O)CSc1ccnnc1 62a_100000732662_100000211628 [0,0,0,0,0,0|3,0,1]=4 210 B15R1.78 CCCCOC(=O)CSc1cnccn1 62a_100000211628_100000211759 [0,0,0,0,0,0|3,0,1]=4 211 B15R1.78 CCCCOC(=O)CSc1cnccn1 62a_100000211759_100000211628 [0,0,0,0,0,0|3,0,1]=4 212 B15R1.78 CCCCOC(=O)CSc1cncnc1 62a_100000211628_100011206942 [0,0,0,0,0,0|3,0,1]=4 213 B15R1.78 CCCCOC(=O)CSc1cncnc1 62a_100011206942_100000211628 [0,0,0,0,0,0|3,0,1]=4 214 B15R1.78 CCCCOC(=O)CSc1ncccn1 62a_100000211032_100000211628 [0,0,0,0,0,0|3,0,1]=4 215 B15R1.78 CCCCOC(=O)CSc1ncccn1 62a_100000211628_100000211032 [0,0,0,0,0,0|3,0,1]=4 216 B15R1.78 CCCCOC(C)C#Cc1ccccc1 34a_200000065209_100000210210 [0,0,0,0,0,0|1,0,3]=4 217 B15R1.78 CCCCOC(C)C#Cc1ccccc1 7a_200000065209_100000210211 [0,0,0,0,0,0|1,0,3]=4 218 B15R1.78 CCCCOC(C)COc1ccccc1 34a_100000210911_100000210210 [0,0,0,0,0,0|2,0,2]=4 219 B15R1.78 CCCCOC(C)COc1ccccc1 7a_100000210911_100000210211 [0,0,0,0,0,0|2,0,2]=4 220 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210210 [0,0,0,0,0,0|1,0,3]=4 221 B15R1.78 CCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210211 [0,0,0,0,0,0|1,0,3]=4 222 B15R1.78 CCCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210303 [0,0,0,0,0,0|3,0,1]=4 223 B15R1.78 CCCNN=C(C)C=Cc1ccccc1 4a_100000740057_100000204604 [0,0,0,0,0,0|3,0,0]=3 224 B15R1.78 CCCNN=C(C)C=Cc1ccccn1 4a_100000740057_100102710650 [0,0,0,0,0,0|4,0,0]=4 225 B15R1.78 CCCNNC(=O)C#Cc1ccccc1 22a_100000740057_100000736102 [0,0,0,0,0,0|2,0,2]=4 226 B15R1.78 CCCNNC(=O)C=Cc1ccccc1 22a_100000740057_100000210462 [0,0,0,0,0,0|2,0,0]=2 227 B15R1.78 CCCNNC(=O)C=Cc1ccccn1 22a_100000740057_100000740811 [0,0,0,0,0,0|3,0,0]=3 228 B15R1.78 CCCNNC(=O)C=Cc1cccnc1 22a_100000740057_100000735890 [0,0,0,0,0,0|3,0,0]=3 229 B15R1.78 CCCNNC(=O)C=Cc1ccncc1 22a_100000740057_100000682801 [0,0,0,0,0,0|3,0,0]=3 230 B15R1.78 CCCNNC(=O)CCc1ccccc1 22a_100000740057_100000185753 [0,0,0,0,0,0|2,0,2]=4 231 B15R1.78 CCCNNC(=O)COc1ccccc1 22a_100000740057_100000186222 [0,0,0,0,0,0|3,0,1]=4 232 B15R1.78 CCCNNC(=O)CSc1ccccc1 22a_100000740057_100000211596 [0,0,0,0,0,0|3,0,1]=4 233 B15R1.78 CCCNNC(=O)NCc1ccccc1 273464a_100015324214_100000740057 [0,0,0,0,0,0|3,0,1]=4 234 B15R1.78 CCCNNC(=O)NCc1ccccc1 512a_100000740057_100015324214 [0,0,0,0,0,0|3,0,1]=4 235 B15R1.78 CCCNNC(=O)NCc1ccccc1 512a_100015324214_100000740057 [0,0,0,0,0,0|3,0,1]=4 236 B15R1.78 CCCNNC(=O)NNc1ccccc1 512a_100000740057_100015195140 [0,0,0,0,0,0|4,0,0]=4 237 B15R1.78 CCCOCC(=O)C=Cc1cncnc1 6a_100000749868_100010632825 [0,0,0,0,0,0|4,0,0]=4 238 B15R1.78 CCCOCC(=O)CCc1ccccc1 1458a_100000745993_100000765856 [0,0,0,0,0,0|2,0,2]=4 239 B15R1.78 CCCOCC(=O)CCc1ccccc1 34a_100000210258_100012361361 [0,0,0,0,0,0|2,0,2]=4 240 B15R1.78 CCCOCC(=O)NCc1ccccc1 11a_100015324214_100000745993 [0,0,0,0,0,0|3,0,1]=4 241 B15R1.78 CCCOCC(=O)NCc1ccccc1 1626a_100015324214_100000745993 [0,0,0,0,0,0|3,0,1]=4 242 B15R1.78 CCCOCC(=O)NCc1ccccc1 240690a_100015324214_100000745993 [0,0,0,0,0,0|3,0,1]=4 243 B15R1.78 CCCOCC(=O)NCc1ccccc1 34a_100000210258_100000183539 [0,0,0,0,0,0|3,0,1]=4 244 B15R1.78 CCCOCC(=O)NCc1ccccc1 527a_100015324214_100000745993 [0,0,0,0,0,0|3,0,1]=4 245 B15R1.78 CCCOCC(=O)NNc1ccccc1 22a_100015195140_100000745993 [0,0,0,0,0,0|4,0,0]=4 246 B15R1.78 CCCOCC(=O)OCc1ccccc1 34a_100000210258_100000753625 [0,0,0,0,0,0|3,0,1]=4 247 B15R1.78 CCCSCC(=O)C=Cc1cncnc1 6a_100000749868_100011343953 [0,0,0,0,0,0|4,0,0]=4 248 B15R1.78 CCCSCC(=O)CCc1ccccc1 1458a_100000217233_100000765856 [0,0,0,0,0,0|2,0,2]=4 249 B15R1.78 CCCSCC(=O)CCc1ccccc1 62a_100000210303_100012361361 [0,0,0,0,0,0|2,0,2]=4 250 B15R1.78 CCCSCC(=O)CCc1ccccc1 62a_100012361361_100000210303 [0,0,0,0,0,0|2,0,2]=4 251 B15R1.78 CCCSCC(=O)NCc1ccccc1 11a_100015324214_100000217233 [0,0,0,0,0,0|3,0,1]=4 252 B15R1.78 CCCSCC(=O)NCc1ccccc1 1626a_100015324214_100000217233 [0,0,0,0,0,0|3,0,1]=4 253 B15R1.78 CCCSCC(=O)NCc1ccccc1 240690a_100015324214_100000217233 [0,0,0,0,0,0|3,0,1]=4 254 B15R1.78 CCCSCC(=O)NCc1ccccc1 527a_100015324214_100000217233 [0,0,0,0,0,0|3,0,1]=4 255 B15R1.78 CCCSCC(=O)NCc1ccccc1 62a_100000183539_100000210303 [0,0,0,0,0,0|3,0,1]=4 256 B15R1.78 CCCSCC(=O)NCc1ccccc1 62a_100000210303_100000183539 [0,0,0,0,0,0|3,0,1]=4 257 B15R1.78 CCCSCC(=O)NNc1ccccc1 22a_100015195140_100000217233 [0,0,0,0,0,0|4,0,0]=4 258 B15R1.78 CCCSCC(=O)OCc1ccccc1 62a_100000210303_100000753625 [0,0,0,0,0,0|3,0,1]=4 259 B15R1.78 CCCSCC(=O)OCc1ccccc1 62a_100000753625_100000210303 [0,0,0,0,0,0|3,0,1]=4 260 B15R1.78 CCNCCC(=O)NCc1ccccc1 2230a_100025741942_100000210202 [0,0,0,0,0,0|3,0,1]=4 261 B15R1.78 CCNCCC(=O)NCc1ccccc1 34a_100025741942_100000210202 [0,0,0,0,0,0|3,0,1]=4 262 B15R1.78 CCNCCC(=O)OCc1ccccc1 2230a_100015525214_100009813219 [0,0,0,0,0,0|3,0,1]=4 263 B15R1.78 CCOCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011215890 [0,0,0,0,0,0|2,0,2]=4 264 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [0,0,0,0,0,0|2,0,0]=2 265 B15R1.78 CCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215890 [0,0,0,0,0,0|3,0,0]=3 266 B15R1.78 CCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215890 [0,0,0,0,0,0|3,0,0]=3 267 B15R1.78 CCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215890 [0,0,0,0,0,0|3,0,0]=3 268 B15R1.78 CCOCCC(=O)C=Cc1cncnc1 6a_100000749868_200011216536 [0,0,0,0,0,0|4,0,0]=4 269 B15R1.78 CCOCCC(=O)CCc1ccccc1 1458a_100000185753_100011215890 [0,0,0,0,0,0|2,0,2]=4 270 B15R1.78 CCOCCC(=O)CCc1ccccc1 1458a_100000749530_100000765856 [0,0,0,0,0,0|2,0,2]=4 271 B15R1.78 CCOCCC(=O)COc1ccccc1 1458a_100000186222_100011215890 [0,0,0,0,0,0|3,0,1]=4 272 B15R1.78 CCOCCC(=O)CSc1ccccc1 1458a_100000211596_100011215890 [0,0,0,0,0,0|3,0,1]=4 273 B15R1.78 CCOCCC(=O)NCc1ccccc1 11a_100015324214_100000749530 [0,0,0,0,0,0|3,0,1]=4 274 B15R1.78 CCOCCC(=O)NCc1ccccc1 1626a_100015324214_100000749530 [0,0,0,0,0,0|3,0,1]=4 275 B15R1.78 CCOCCC(=O)NCc1ccccc1 240690a_100015324214_100000749530 [0,0,0,0,0,0|3,0,1]=4 276 B15R1.78 CCOCCC(=O)NCc1ccccc1 527a_100015324214_100000749530 [0,0,0,0,0,0|3,0,1]=4 277 B15R1.78 CCOCCC(=O)NNc1ccccc1 22a_100015195140_100000749530 [0,0,0,0,0,0|4,0,0]=4 278 B15R1.78 CCOCCC(=O)OCc1ccccc1 7a_100009831632_100000210202 [0,0,0,0,0,0|3,0,1]=4 279 B15R1.78 CCSCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000757381 [0,0,0,0,0,0|2,0,2]=4 280 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [0,0,0,0,0,0|2,0,0]=2 281 B15R1.78 CCSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757381 [0,0,0,0,0,0|3,0,0]=3 282 B15R1.78 CCSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757381 [0,0,0,0,0,0|3,0,0]=3 283 B15R1.78 CCSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757381 [0,0,0,0,0,0|3,0,0]=3 284 B15R1.78 CCSCCC(=O)CCc1ccccc1 1458a_100000185753_100000757381 [0,0,0,0,0,0|2,0,2]=4 285 B15R1.78 CCSCCC(=O)CCc1ccccc1 1458a_100000230768_100000765856 [0,0,0,0,0,0|2,0,2]=4 286 B15R1.78 CCSCCC(=O)COc1ccccc1 1458a_100000186222_100000757381 [0,0,0,0,0,0|3,0,1]=4 287 B15R1.78 CCSCCC(=O)CSc1ccccc1 1458a_100000211596_100000757381 [0,0,0,0,0,0|3,0,1]=4 288 B15R1.78 CCSCCC(=O)NCc1ccccc1 11a_100015324214_100000230768 [0,0,0,0,0,0|3,0,1]=4 289 B15R1.78 CCSCCC(=O)NCc1ccccc1 1626a_100015324214_100000230768 [0,0,0,0,0,0|3,0,1]=4 290 B15R1.78 CCSCCC(=O)NCc1ccccc1 240690a_100015324214_100000230768 [0,0,0,0,0,0|3,0,1]=4 291 B15R1.78 CCSCCC(=O)NCc1ccccc1 527a_100015324214_100000230768 [0,0,0,0,0,0|3,0,1]=4 292 B15R1.78 CCSCCC(=O)NNc1ccccc1 22a_100015195140_100000230768 [0,0,0,0,0,0|4,0,0]=4 293 B15R1.78 CCSCCC(=O)OCc1ccccc1 62a_100000210202_100009813219 [0,0,0,0,0,0|3,0,1]=4 294 B15R1.78 CCSCCC(=O)OCc1ccccc1 62a_100009813219_100000210202 [0,0,0,0,0,0|3,0,1]=4 295 B15R1.78 CNCCCC(=O)OCc1ccccc1 2230a_106832991635_100009813218 [0,0,0,0,0,0|3,0,1]=4 296 B15R1.78 CNCCCC(=O)OCc1ccccc1 34a_100102657272_100009813218 [0,0,0,0,0,0|3,0,1]=4 297 B15R1.78 CNCCCC(=O)OCc1ccccc1 7a_106832991635_100009813218 [0,0,0,0,0,0|3,0,1]=4 298 B15R1.78 CNCCNC(=O)OCc1ccccc1 2230a_106832991635_100012357035 [0,0,0,0,0,0|3,0,1]=4 299 B15R1.78 CNCCNC(=O)OCc1ccccc1 7a_106832991635_100012357035 [0,0,0,0,0,0|3,0,1]=4 300 B15R1.78 COCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000740836 [0,0,0,0,0,0|2,0,2]=4 301 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [0,0,0,0,0,0|2,0,0]=2 302 B15R1.78 COCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000740836 [0,0,0,0,0,0|3,0,0]=3 303 B15R1.78 COCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000740836 [0,0,0,0,0,0|3,0,0]=3 304 B15R1.78 COCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000740836 [0,0,0,0,0,0|3,0,0]=3 305 B15R1.78 COCCCC(=O)CCc1ccccc1 1458a_100000185753_100000740836 [0,0,0,0,0,0|2,0,2]=4 306 B15R1.78 COCCCC(=O)CCc1ccccc1 1458a_100000741012_100000765856 [0,0,0,0,0,0|2,0,2]=4 307 B15R1.78 COCCCC(=O)COc1ccccc1 1458a_100000186222_100000740836 [0,0,0,0,0,0|3,0,1]=4 308 B15R1.78 COCCCC(=O)CSc1ccccc1 1458a_100000211596_100000740836 [0,0,0,0,0,0|3,0,1]=4 309 B15R1.78 COCCCC(=O)NCc1ccccc1 11a_100015324214_100000741012 [0,0,0,0,0,0|3,0,1]=4 310 B15R1.78 COCCCC(=O)NCc1ccccc1 1626a_100015324214_100000741012 [0,0,0,0,0,0|3,0,1]=4 311 B15R1.78 COCCCC(=O)NCc1ccccc1 240690a_100015324214_100000741012 [0,0,0,0,0,0|3,0,1]=4 312 B15R1.78 COCCCC(=O)NCc1ccccc1 527a_100015324214_100000741012 [0,0,0,0,0,0|3,0,1]=4 313 B15R1.78 COCCCC(=O)NNc1ccccc1 22a_100015195140_100000741012 [0,0,0,0,0,0|4,0,0]=4 314 B15R1.78 COCCCC(=O)OCc1ccccc1 34a_100138415774_100009813218 [0,0,0,0,0,0|3,0,1]=4 315 B15R1.78 COCCCC(=O)OCc1ccccc1 7a_100009831633_200000210301 [0,0,0,0,0,0|3,0,1]=4 316 B15R1.78 COCCNC(=O)C#Cc1ccccc1 240690a_100000209980_100000736102 [0,0,0,0,0,0|2,0,2]=4 317 B15R1.78 COCCNC(=O)C=Cc1ccccc1 1626a_100000209980_100000210462 [0,0,0,0,0,0|2,0,0]=2 318 B15R1.78 COCCNC(=O)C=Cc1ccccn1 240690a_100000209980_100000740811 [0,0,0,0,0,0|3,0,0]=3 319 B15R1.78 COCCNC(=O)C=Cc1cccnc1 240690a_100000209980_100000735890 [0,0,0,0,0,0|3,0,0]=3 320 B15R1.78 COCCNC(=O)C=Cc1ccncc1 240690a_100000209980_100000682801 [0,0,0,0,0,0|3,0,0]=3 321 B15R1.78 COCCNC(=O)CCc1ccccc1 1626a_100000209980_100000185753 [0,0,0,0,0,0|2,0,2]=4 322 B15R1.78 COCCNC(=O)CCc1ccccc1 240690a_100000209980_100000185753 [0,0,0,0,0,0|2,0,2]=4 323 B15R1.78 COCCNC(=O)CCc1ccccc1 527a_100000209980_100000185753 [0,0,0,0,0,0|2,0,2]=4 324 B15R1.78 COCCNC(=O)CNc1ccccc1 34a_100000106764_100000183275 [0,0,0,0,0,0|3,0,1]=4 325 B15R1.78 COCCNC(=O)COc1ccccc1 1626a_100000209980_100000186222 [0,0,0,0,0,0|3,0,1]=4 326 B15R1.78 COCCNC(=O)COc1ccccc1 240690a_100000209980_100000186222 [0,0,0,0,0,0|3,0,1]=4 327 B15R1.78 COCCNC(=O)COc1ccccc1 34a_100000210340_100000183275 [0,0,0,0,0,0|3,0,1]=4 328 B15R1.78 COCCNC(=O)COc1ccccc1 527a_100000209980_100000186222 [0,0,0,0,0,0|3,0,1]=4 329 B15R1.78 COCCNC(=O)COc1ccccc1 7a_100000210340_100000183275 [0,0,0,0,0,0|3,0,1]=4 330 B15R1.78 COCCNC(=O)CSc1ccccc1 1626a_100000209980_100000211596 [0,0,0,0,0,0|3,0,1]=4 331 B15R1.78 COCCNC(=O)CSc1ccccc1 240690a_100000209980_100000211596 [0,0,0,0,0,0|3,0,1]=4 332 B15R1.78 COCCNC(=O)CSc1ccccc1 527a_100000209980_100000211596 [0,0,0,0,0,0|3,0,1]=4 333 B15R1.78 COCCNC(=O)CSc1ccccc1 62a_100000183275_100000041952 [0,0,0,0,0,0|3,0,1]=4 334 B15R1.78 COCCNC(=O)CSc1ccccc1 62a_100000719477_100000183275 [0,0,0,0,0,0|3,0,1]=4 335 B15R1.78 COCCNC(=O)NCc1ccccc1 2708a_100015324214_100000209980 [0,0,0,0,0,0|3,0,1]=4 336 B15R1.78 COCCNC(=O)NCc1ccccc1 273464a_100000209980_100015324214 [0,0,0,0,0,0|3,0,1]=4 337 B15R1.78 COCCNC(=O)NCc1ccccc1 273464a_100015324214_100000209980 [0,0,0,0,0,0|3,0,1]=4 338 B15R1.78 COCCNC(=O)NNc1ccccc1 273464a_100000209980_100015195140 [0,0,0,0,0,0|4,0,0]=4 339 B15R1.78 COCCNC(=O)OCc1ccccc1 34a_100000159002_200000210301 [0,0,0,0,0,0|3,0,1]=4 340 B15R1.78 COCCNC(=O)OCc1ccccc1 7a_100000159002_200000210301 [0,0,0,0,0,0|3,0,1]=4 341 B15R1.78 COCCOC(=O)CNc1ccccc1 34a_100000106764_200000040189 [0,0,0,0,0,0|2,0,1]=3 342 B15R1.78 COCCOC(=O)COc1ccccc1 34a_100000210340_200000040189 [0,0,0,0,0,0|2,0,1]=3 343 B15R1.78 COCCOC(=O)COc1ccccc1 7a_100000210340_200000040189 [0,0,0,0,0,0|2,0,1]=3 344 B15R1.78 COCCOC(=O)COc1cccnc1 34a_100000210849_200000040189 [0,0,0,0,0,0|3,0,1]=4 345 B15R1.78 COCCOC(=O)COc1cccnc1 7a_100000210849_200000040189 [0,0,0,0,0,0|3,0,1]=4 346 B15R1.78 COCCOC(=O)COc1ccncc1 34a_100000212176_200000040189 [0,0,0,0,0,0|3,0,1]=4 347 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_100000719477_200000040189 [0,0,0,0,0,0|2,0,1]=3 348 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_200000040189_100000041952 [0,0,0,0,0,0|2,0,1]=3 349 B15R1.78 COCCOC(=O)CSc1ccccn1 62a_100011216584_200000040189 [0,0,0,0,0,0|3,0,1]=4 350 B15R1.78 COCCOC(=O)CSc1ccccn1 62a_200000040189_100011216584 [0,0,0,0,0,0|3,0,1]=4 351 B15R1.78 COCCOC(=O)CSc1cccnc1 62a_100000210063_200000040189 [0,0,0,0,0,0|3,0,1]=4 352 B15R1.78 COCCOC(=O)CSc1cccnc1 62a_200000040189_100000210063 [0,0,0,0,0,0|3,0,1]=4 353 B15R1.78 COCCOC(=O)CSc1ccncc1 62a_100000728582_200000040189 [0,0,0,0,0,0|3,0,1]=4 354 B15R1.78 COCCOC(=O)CSc1ccncc1 62a_200000040189_100000728582 [0,0,0,0,0,0|3,0,1]=4 355 B15R1.78 CSCCCC(=O)C=Cc1cncnc1 6a_100000749868_100011399439 [0,0,0,0,0,0|4,0,0]=4 356 B15R1.78 CSCCCC(=O)CCc1ccccc1 1458a_100000173376_100000765856 [0,0,0,0,0,0|2,0,2]=4 357 B15R1.78 CSCCCC(=O)NCc1ccccc1 11a_100015324214_100000173376 [0,0,0,0,0,0|3,0,1]=4 358 B15R1.78 CSCCCC(=O)NCc1ccccc1 1626a_100015324214_100000173376 [0,0,0,0,0,0|3,0,1]=4 359 B15R1.78 CSCCCC(=O)NCc1ccccc1 240690a_100015324214_100000173376 [0,0,0,0,0,0|3,0,1]=4 360 B15R1.78 CSCCCC(=O)NCc1ccccc1 527a_100015324214_100000173376 [0,0,0,0,0,0|3,0,1]=4 361 B15R1.78 CSCCCC(=O)NNc1ccccc1 22a_100015195140_100000173376 [0,0,0,0,0,0|4,0,0]=4 362 B15R1.78 CSCCCC(=O)OCc1ccccc1 62a_100009813218_200000210301 [0,0,0,0,0,0|3,0,1]=4 363 B15R1.78 CSCCCC(=O)OCc1ccccc1 62a_200000210301_100009813218 [0,0,0,0,0,0|3,0,1]=4 364 B15R1.78 CSCCNC(=O)C#Cc1ccccc1 240690a_100020590264_100000736102 [0,0,0,0,0,0|2,0,2]=4 365 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 11a_100020590264_100000210462 [0,0,0,0,0,0|2,0,0]=2 366 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 1626a_100020590264_100000210462 [0,0,0,0,0,0|2,0,0]=2 367 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 11a_100020590264_100000740811 [0,0,0,0,0,0|3,0,0]=3 368 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 240690a_100020590264_100000740811 [0,0,0,0,0,0|3,0,0]=3 369 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 11a_100020590264_100000735890 [0,0,0,0,0,0|3,0,0]=3 370 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 240690a_100020590264_100000735890 [0,0,0,0,0,0|3,0,0]=3 371 B15R1.78 CSCCNC(=O)C=Cc1ccncc1 240690a_100020590264_100000682801 [0,0,0,0,0,0|3,0,0]=3 372 B15R1.78 CSCCNC(=O)CCc1ccccc1 11a_100020590264_100000185753 [0,0,0,0,0,0|2,0,2]=4 373 B15R1.78 CSCCNC(=O)CCc1ccccc1 1626a_100020590264_100000185753 [0,0,0,0,0,0|2,0,2]=4 374 B15R1.78 CSCCNC(=O)CCc1ccccc1 240690a_100020590264_100000185753 [0,0,0,0,0,0|2,0,2]=4 375 B15R1.78 CSCCNC(=O)CCc1ccccc1 527a_100020590264_100000185753 [0,0,0,0,0,0|2,0,2]=4 376 B15R1.78 CSCCNC(=O)COc1ccccc1 11a_100020590264_100000186222 [0,0,0,0,0,0|3,0,1]=4 377 B15R1.78 CSCCNC(=O)COc1ccccc1 1626a_100020590264_100000186222 [0,0,0,0,0,0|3,0,1]=4 378 B15R1.78 CSCCNC(=O)COc1ccccc1 240690a_100020590264_100000186222 [0,0,0,0,0,0|3,0,1]=4 379 B15R1.78 CSCCNC(=O)COc1ccccc1 527a_100020590264_100000186222 [0,0,0,0,0,0|3,0,1]=4 380 B15R1.78 CSCCNC(=O)CSc1ccccc1 11a_100020590264_100000211596 [0,0,0,0,0,0|3,0,1]=4 381 B15R1.78 CSCCNC(=O)CSc1ccccc1 1626a_100020590264_100000211596 [0,0,0,0,0,0|3,0,1]=4 382 B15R1.78 CSCCNC(=O)CSc1ccccc1 240690a_100020590264_100000211596 [0,0,0,0,0,0|3,0,1]=4 383 B15R1.78 CSCCNC(=O)CSc1ccccc1 527a_100020590264_100000211596 [0,0,0,0,0,0|3,0,1]=4 384 B15R1.78 CSCCNC(=O)NCc1ccccc1 2708a_100015324214_100020590264 [0,0,0,0,0,0|3,0,1]=4 385 B15R1.78 CSCCNC(=O)NCc1ccccc1 2708a_100020590264_100015324214 [0,0,0,0,0,0|3,0,1]=4 386 B15R1.78 CSCCNC(=O)NCc1ccccc1 273464a_100015324214_100020590264 [0,0,0,0,0,0|3,0,1]=4 387 B15R1.78 CSCCNC(=O)NCc1ccccc1 273464a_100020590264_100015324214 [0,0,0,0,0,0|3,0,1]=4 388 B15R1.78 CSCCNC(=O)NCc1ccccc1 512a_100015324214_100020590264 [0,0,0,0,0,0|3,0,1]=4 389 B15R1.78 CSCCNC(=O)NCc1ccccc1 512a_100020590264_100015324214 [0,0,0,0,0,0|3,0,1]=4 390 B15R1.78 CSCCNC(=O)NNc1ccccc1 273464a_100020590264_100015195140 [0,0,0,0,0,0|4,0,0]=4 391 B15R1.78 CSCCNC(=O)NNc1ccccc1 512a_100020590264_100015195140 [0,0,0,0,0,0|4,0,0]=4 392 B15R1.78 CSCCNC(=O)OCc1ccccc1 62a_100012357035_200000210301 [0,0,0,0,0,0|3,0,1]=4 393 B15R1.78 CSCCNC(=O)OCc1ccccc1 62a_200000210301_100012357035 [0,0,0,0,0,0|3,0,1]=4 394 B15R1.78 N#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211468 [0,0,0,0,0,0|2,0,1]=3 395 B15R1.78 N#CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000211468 [0,0,0,0,0,0|3,0,1]=4 396 B15R1.78 N#CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000211468 [0,0,0,0,0,0|3,0,1]=4 397 B15R1.78 N#CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000211468 [0,0,0,0,0,0|3,0,1]=4 398 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 11a_100000720768_100000210462 [0,0,0,0,0,0|2,0,1]=3 399 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 1626a_100000720768_100000210462 [0,0,0,0,0,0|2,0,1]=3 400 B15R1.78 N#CCCNC(=O)C=Cc1ccccn1 11a_100000720768_100000740811 [0,0,0,0,0,0|3,0,1]=4 401 B15R1.78 N#CCCNC(=O)C=Cc1ccccn1 240690a_100000720768_100000740811 [0,0,0,0,0,0|3,0,1]=4 402 B15R1.78 N#CCCNC(=O)C=Cc1cccnc1 11a_100000720768_100000735890 [0,0,0,0,0,0|3,0,1]=4 403 B15R1.78 N#CCCNC(=O)C=Cc1cccnc1 240690a_100000720768_100000735890 [0,0,0,0,0,0|3,0,1]=4 404 B15R1.78 N#CCCNC(=O)C=Cc1ccncc1 240690a_100000720768_100000682801 [0,0,0,0,0,0|3,0,1]=4 405 B15R1.78 O=C(C#Cc1ccccc1)CCCCF 1458a_100000736102_100000729493 [0,0,0,0,0,0|2,0,2]=4 406 B15R1.78 O=C(C#Cc1ccccc1)CCCCO 1458a_100000736102_100000210776 [0,0,0,0,0,0|2,0,2]=4 407 B15R1.78 O=C(C#Cc1ccccc1)NCCCF 240690a_100015189416_100000736102 [0,0,0,0,0,0|2,0,2]=4 408 B15R1.78 O=C(C#Cc1ccccc1)NCCCO 240690a_100000182051_100000736102 [0,0,0,0,0,0|2,0,2]=4 409 B15R1.78 O=C(C=Cc1ccccc1)CC#CCO 1458a_100000210462_200000047223 [0,0,0,0,0,0|2,0,2]=4 410 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [0,0,0,0,0,0|2,0,0]=2 411 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [0,0,0,0,0,0|2,0,0]=2 412 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 11a_100015189416_100000210462 [0,0,0,0,0,0|2,0,0]=2 413 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 1626a_100015189416_100000210462 [0,0,0,0,0,0|2,0,0]=2 414 B15R1.78 O=C(C=Cc1ccccc1)NNCCO 22a_100000210001_100000210462 [0,0,0,0,0,0|3,0,0]=3 415 B15R1.78 O=C(C=Cc1ccccn1)CCCCF 1458a_100000740811_100000729493 [0,0,0,0,0,0|3,0,0]=3 416 B15R1.78 O=C(C=Cc1ccccn1)CCCCO 1458a_100000740811_100000210776 [0,0,0,0,0,0|3,0,0]=3 417 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 11a_100015189416_100000740811 [0,0,0,0,0,0|3,0,0]=3 418 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 240690a_100015189416_100000740811 [0,0,0,0,0,0|3,0,0]=3 419 B15R1.78 O=C(C=Cc1ccccn1)NCCCO 240690a_100000182051_100000740811 [0,0,0,0,0,0|3,0,0]=3 420 B15R1.78 O=C(C=Cc1ccccn1)NNCCO 22a_100000210001_100000740811 [0,0,0,0,0,0|4,0,0]=4 421 B15R1.78 O=C(C=Cc1cccnc1)CCCCF 1458a_100000735890_100000729493 [0,0,0,0,0,0|3,0,0]=3 422 B15R1.78 O=C(C=Cc1cccnc1)CCCCO 1458a_100000735890_100000210776 [0,0,0,0,0,0|3,0,0]=3 423 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 11a_100015189416_100000735890 [0,0,0,0,0,0|3,0,0]=3 424 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 240690a_100015189416_100000735890 [0,0,0,0,0,0|3,0,0]=3 425 B15R1.78 O=C(C=Cc1cccnc1)NCCCO 240690a_100000182051_100000735890 [0,0,0,0,0,0|3,0,0]=3 426 B15R1.78 O=C(C=Cc1cccnc1)NNCCO 22a_100000210001_100000735890 [0,0,0,0,0,0|4,0,0]=4 427 B15R1.78 O=C(C=Cc1ccncc1)CCCCF 1458a_100000682801_100000729493 [0,0,0,0,0,0|3,0,0]=3 428 B15R1.78 O=C(C=Cc1ccncc1)CCCCO 1458a_100000682801_100000210776 [0,0,0,0,0,0|3,0,0]=3 429 B15R1.78 O=C(C=Cc1ccncc1)NCCCF 240690a_100015189416_100000682801 [0,0,0,0,0,0|3,0,0]=3 430 B15R1.78 O=C(C=Cc1ccncc1)NCCCO 240690a_100000182051_100000682801 [0,0,0,0,0,0|3,0,0]=3 431 B15R1.78 O=C(C=Cc1ccncc1)NNCCO 22a_100000210001_100000682801 [0,0,0,0,0,0|4,0,0]=4 432 B15R1.78 O=C(C=Cc1cncnc1)CCCCBr 6a_100000749868_100009817362 [0,0,0,0,0,0|4,0,0]=4 433 B15R1.78 O=C(C=Cc1cncnc1)CCCCCl 6a_100000749868_100000735457 [0,0,0,0,0,0|4,0,0]=4 434 B15R1.78 O=C(CCCCF)CCc1ccccc1 1458a_100000185753_100000729493 [0,0,0,0,0,0|2,0,2]=4 435 B15R1.78 O=C(CCCCF)COc1ccccc1 1458a_100000186222_100000729493 [0,0,0,0,0,0|3,0,1]=4 436 B15R1.78 O=C(CCCCF)CSc1ccccc1 1458a_100000211596_100000729493 [0,0,0,0,0,0|3,0,1]=4 437 B15R1.78 O=C(CCCCO)CCc1ccccc1 1458a_100000185753_100000210776 [0,0,0,0,0,0|2,0,2]=4 438 B15R1.78 O=C(CCCCO)CCc1ccccc1 1458a_100000695505_100000765856 [0,0,0,0,0,0|2,0,2]=4 439 B15R1.78 O=C(CCCCO)COc1ccccc1 1458a_100000186222_100000210776 [0,0,0,0,0,0|3,0,1]=4 440 B15R1.78 O=C(CCCCO)CSc1ccccc1 1458a_100000211596_100000210776 [0,0,0,0,0,0|3,0,1]=4 441 B15R1.78 O=C(CCCCO)NCc1ccccc1 1626a_100015324214_100000695505 [0,0,0,0,0,0|3,0,1]=4 442 B15R1.78 O=C(CCc1ccccc1)NCCCF 11a_100015189416_100000185753 [0,0,0,0,0,0|2,0,2]=4 443 B15R1.78 O=C(CCc1ccccc1)NCCCF 1626a_100015189416_100000185753 [0,0,0,0,0,0|2,0,2]=4 444 B15R1.78 O=C(CCc1ccccc1)NCCCF 240690a_100015189416_100000185753 [0,0,0,0,0,0|2,0,2]=4 445 B15R1.78 O=C(CCc1ccccc1)NCCCF 527a_100015189416_100000185753 [0,0,0,0,0,0|2,0,2]=4 446 B15R1.78 O=C(CCc1ccccc1)NCCCO 240690a_100000182051_100000185753 [0,0,0,0,0,0|2,0,2]=4 447 B15R1.78 O=C(CCc1ccccc1)NCCCO 527a_100000182051_100000185753 [0,0,0,0,0,0|2,0,2]=4 448 B15R1.78 O=C(COc1ccccc1)NCCCF 11a_100015189416_100000186222 [0,0,0,0,0,0|3,0,1]=4 449 B15R1.78 O=C(COc1ccccc1)NCCCF 1626a_100015189416_100000186222 [0,0,0,0,0,0|3,0,1]=4 450 B15R1.78 O=C(COc1ccccc1)NCCCF 240690a_100015189416_100000186222 [0,0,0,0,0,0|3,0,1]=4 451 B15R1.78 O=C(COc1ccccc1)NCCCF 527a_100015189416_100000186222 [0,0,0,0,0,0|3,0,1]=4 452 B15R1.78 O=C(COc1ccccc1)NCCCO 240690a_100000182051_100000186222 [0,0,0,0,0,0|3,0,1]=4 453 B15R1.78 O=C(COc1ccccc1)NCCCO 527a_100000182051_100000186222 [0,0,0,0,0,0|3,0,1]=4 454 B15R1.78 O=C(CSc1ccccc1)NCCCF 11a_100015189416_100000211596 [0,0,0,0,0,0|3,0,1]=4 455 B15R1.78 O=C(CSc1ccccc1)NCCCF 1626a_100015189416_100000211596 [0,0,0,0,0,0|3,0,1]=4 456 B15R1.78 O=C(CSc1ccccc1)NCCCF 240690a_100015189416_100000211596 [0,0,0,0,0,0|3,0,1]=4 457 B15R1.78 O=C(CSc1ccccc1)NCCCF 527a_100015189416_100000211596 [0,0,0,0,0,0|3,0,1]=4 458 B15R1.78 O=C(CSc1ccccc1)NCCCO 240690a_100000182051_100000211596 [0,0,0,0,0,0|3,0,1]=4 459 B15R1.78 O=C(CSc1ccccc1)NCCCO 527a_100000182051_100000211596 [0,0,0,0,0,0|3,0,1]=4 460 B15R1.78 O=C(NCCCF)NCc1ccccc1 2708a_100015189416_100015324214 [0,0,0,0,0,0|3,0,1]=4 461 B15R1.78 O=C(NCCCF)NCc1ccccc1 2708a_100015324214_100015189416 [0,0,0,0,0,0|3,0,1]=4 462 B15R1.78 O=C(NCCCF)NCc1ccccc1 273464a_100015189416_100015324214 [0,0,0,0,0,0|3,0,1]=4 463 B15R1.78 O=C(NCCCF)NCc1ccccc1 273464a_100015324214_100015189416 [0,0,0,0,0,0|3,0,1]=4 464 B15R1.78 O=C(NCCCF)NCc1ccccc1 512a_100015189416_100015324214 [0,0,0,0,0,0|3,0,1]=4 465 B15R1.78 O=C(NCCCF)NCc1ccccc1 512a_100015324214_100015189416 [0,0,0,0,0,0|3,0,1]=4 466 B15R1.78 O=C(NCCCF)NNc1ccccc1 273464a_100015189416_100015195140 [0,0,0,0,0,0|4,0,0]=4 467 B15R1.78 O=C(NCCCF)NNc1ccccc1 512a_100015189416_100015195140 [0,0,0,0,0,0|4,0,0]=4 468 B15R1.78 O=C(NCCCO)NCc1ccccc1 2708a_100015324214_100000182051 [0,0,0,0,0,0|3,0,1]=4 469 B15R1.78 O=C(NCCCO)NCc1ccccc1 273464a_100000182051_100015324214 [0,0,0,0,0,0|3,0,1]=4 470 B15R1.78 O=C(NCCCO)NCc1ccccc1 273464a_100015324214_100000182051 [0,0,0,0,0,0|3,0,1]=4 471 B15R1.78 O=C(NCCCO)NCc1ccccc1 512a_100015324214_100000182051 [0,0,0,0,0,0|3,0,1]=4 472 B15R1.78 O=C(NCCCO)NNc1ccccc1 273464a_100000182051_100015195140 [0,0,0,0,0,0|4,0,0]=4 473 B15R1.78 [13CH3]OCCCC(=O)OCc1ccccc1 7a_100009831633_200025704644 [0,0,0,0,0,0|3,0,1]=4 474 B15R1.78 [13CH3]OCCNC(=O)OCc1ccccc1 34a_100000159002_200025704644 [0,0,0,0,0,0|3,0,1]=4 475 B15R1.78 [13CH3]OCCNC(=O)OCc1ccccc1 7a_100000159002_200025704644 [0,0,0,0,0,0|3,0,1]=4 476 B15R1.78 [13CH3]SCCCC(=O)OCc1ccccc1 62a_100009813218_200025704644 [0,0,0,0,0,0|3,0,1]=4 477 B15R1.78 [13CH3]SCCCC(=O)OCc1ccccc1 62a_200025704644_100009813218 [0,0,0,0,0,0|3,0,1]=4 478 B15R1.78 [13CH3]SCCNC(=O)OCc1ccccc1 62a_100012357035_200025704644 [0,0,0,0,0,0|3,0,1]=4 479 B15R1.78 [13CH3]SCCNC(=O)OCc1ccccc1 62a_200025704644_100012357035 [0,0,0,0,0,0|3,0,1]=4 480 B14R1.123 BrCCCOC/C=C/c1ccccc1 34a_100011217188_100016265936 [1,0,0,0,0,0|1,0,1]=3 481 B14R1.123 C#CCCOC/C=C/c1ccccc1 34a_100000210256_100000688953 [1,0,0,0,0,0|0,0,3]=4 482 B14R1.123 C#CCCOC/C=C/c1ccccc1 34a_100011215631_100016265936 [1,0,0,0,0,0|0,0,3]=4 483 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100000210256_100102629194 [1,0,0,0,0,0|0,0,3]=4 484 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100016270725_100016265936 [1,0,0,0,0,0|0,0,3]=4 485 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100000210256_100000754431 [1,0,0,0,0,0|0,0,3]=4 486 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100011205117_100016265936 [1,0,0,0,0,0|0,0,3]=4 487 B14R1.123 CC#CCOC/C=C/c1ccccc1 34a_100000210256_100000748600 [1,0,0,0,0,0|0,0,3]=4 488 B14R1.123 CC#CCOC/C=C/c1ccccc1 34a_100000761923_100016265936 [1,0,0,0,0,0|0,0,3]=4 489 B14R1.123 CC=CCOC/C=C/c1ccccc1 34a_100000210256_100000070051 [1,0,0,0,0,0|0,0,3]=4 490 B14R1.123 CCCCCC=NNc1ccccc1 4a_100015195140_100000737632 [1,0,0,0,0,0|3,0,0]=4 491 B14R1.123 CCCCCCC=Cc1ccccc1 271570a_200015348155_100000210277 [1,0,0,0,0,0|1,0,1]=3 492 B14R1.123 CCCCCCC=Cc1ccccn1 271570a_200015348155_100011216584 [1,0,0,0,0,0|2,0,1]=4 493 B14R1.123 CCCCCCC=Cc1cccnc1 271570a_200015348155_100000752921 [1,0,0,0,0,0|2,0,1]=4 494 B14R1.123 CCCCCCC=Cc1ccncc1 271570a_200015348155_100000035832 [1,0,0,0,0,0|2,0,1]=4 495 B14R1.123 CCCCCNN=Cc1ccccc1 4a_100000694160_100015611070 [1,0,0,0,0,0|3,0,0]=4 496 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [1,0,0,0,0,0|1,0,1]=3 497 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [1,0,0,0,0,0|1,0,1]=3 498 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [1,0,0,0,0,0|1,0,1]=3 499 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [1,0,0,0,0,0|1,0,1]=3 500 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [1,0,0,0,0,0|1,0,1]=3 501 B14R1.123 CCCCNN=CCc1ccccc1 4a_100025702795_100000209964 [1,0,0,0,0,0|2,0,1]=4 502 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210227_100016265936 [1,0,0,0,0,0|0,0,1]=2 503 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210256_100000210210 [1,0,0,0,0,0|0,0,1]=2 504 B14R1.123 CCCCOC/C=C/c1ccccc1 7a_100000210227_100016265936 [1,0,0,0,0,0|0,0,1]=2 505 B14R1.123 CCCCOC/C=C/c1cccnc1 34a_200102594124_100000210210 [1,0,0,0,0,0|1,0,1]=3 506 B14R1.123 CCCCOCC#Cc1ccccc1 34a_100000210227_100011352542 [1,0,0,0,0,0|0,0,3]=4 507 B14R1.123 CCCCOCC#Cc1ccccc1 34a_100011217464_100000210210 [1,0,0,0,0,0|0,0,3]=4 508 B14R1.123 CCCCOCC#Cc1ccccc1 7a_100000210227_100011352542 [1,0,0,0,0,0|0,0,3]=4 509 B14R1.123 CCCCOCC#Cc1ccccc1 7a_100011217464_100000210211 [1,0,0,0,0,0|0,0,3]=4 510 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210227_100000211621 [1,0,0,0,0,0|0,0,3]=4 511 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210828_100000210210 [1,0,0,0,0,0|0,0,3]=4 512 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210227_100000211621 [1,0,0,0,0,0|0,0,3]=4 513 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210828_100000210211 [1,0,0,0,0,0|0,0,3]=4 514 B14R1.123 CCCCOCCNc1ccccc1 34a_100000106764_100000743108 [1,0,0,0,0,0|1,0,2]=4 515 B14R1.123 CCCCOCCNc1ccccc1 34a_100000211345_100000210210 [1,0,0,0,0,0|1,0,2]=4 516 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210227_100000184471 [1,0,0,0,0,0|1,0,2]=4 517 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210260_100000210210 [1,0,0,0,0,0|1,0,2]=4 518 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210340_100000743108 [1,0,0,0,0,0|1,0,2]=4 519 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210227_100000184471 [1,0,0,0,0,0|1,0,2]=4 520 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210260_100000210211 [1,0,0,0,0,0|1,0,2]=4 521 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210340_100000743108 [1,0,0,0,0,0|1,0,2]=4 522 B14R1.123 CCCCOCCSc1ccccc1 34a_100000210227_100000246102 [1,0,0,0,0,0|1,0,2]=4 523 B14R1.123 CCCCOCCSc1ccccc1 62a_100000719477_100000743108 [1,0,0,0,0,0|1,0,2]=4 524 B14R1.123 CCCCOCCSc1ccccc1 62a_100000743108_100000041952 [1,0,0,0,0,0|1,0,2]=4 525 B14R1.123 CCCCOCCSc1ccccc1 7a_100000210227_100000246102 [1,0,0,0,0,0|1,0,2]=4 526 B14R1.123 CCCCOCCSc1ccccc1 7a_100000230494_100000210211 [1,0,0,0,0,0|1,0,2]=4 527 B14R1.123 CCCCOCNCc1ccccc1 2230a_100015324214_100011995733 [1,0,0,0,0,0|1,0,2]=4 528 B14R1.123 CCCCOCNCc1ccccc1 34a_100015324214_100011995733 [1,0,0,0,0,0|1,0,2]=4 529 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210227_100000763385 [1,0,0,0,0,0|1,0,2]=4 530 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210790_100011995733 [1,0,0,0,0,0|1,0,2]=4 531 B14R1.123 CCCCOCSCc1ccccc1 34a_100000210227_200011217039 [1,0,0,0,0,0|1,0,2]=4 532 B14R1.123 CCCCOCSCc1ccccc1 62a_100000211182_100011995733 [1,0,0,0,0,0|1,0,2]=4 533 B14R1.123 CCCCOCSCc1ccccc1 62a_100011995733_100015291786 [1,0,0,0,0,0|1,0,2]=4 534 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100000210211_100016265936 [1,0,0,0,0,0|0,1,1]=3 535 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100016265936_100000210210 [1,0,0,0,0,0|0,1,1]=3 536 B14R1.123 CCCNN=CC=Cc1ccccc1 4a_100000740057_100000210105 [1,0,0,0,0,0|2,0,0]=3 537 B14R1.123 CCCNN=CC=Cc1ccncc1 4a_100000740057_100000703957 [1,0,0,0,0,0|3,0,0]=4 538 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100000739092_100016265936 [1,0,0,0,0,0|1,1,1]=4 539 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100016265936_100000739092 [1,0,0,0,0,0|1,1,1]=4 540 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100000209980_100016265936 [1,0,0,0,0,0|2,0,1]=4 541 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100020603302_100011201679 [1,0,0,0,0,0|2,0,1]=4 542 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603302_100011201679 [1,0,0,0,0,0|2,0,1]=4 543 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603566_200000210301 [1,0,0,0,0,0|2,0,1]=4 544 B14R1.123 COCCNCC=Cc1ccccc1 270004a_100000209980_100000210105 [1,0,0,0,0,0|2,0,1]=4 545 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [1,0,0,0,0,0|1,0,1]=3 546 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [1,0,0,0,0,0|1,0,1]=3 547 B14R1.123 COCCOC/C=C/c1cccnc1 34a_200102594124_100011201679 [1,0,0,0,0,0|2,0,1]=4 548 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100000233755_100016265936 [1,0,0,0,0,0|1,1,1]=4 549 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100016265936_100000233755 [1,0,0,0,0,0|1,1,1]=4 550 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020590264_100016265936 [1,0,0,0,0,0|2,0,1]=4 551 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020603302_100000751147 [1,0,0,0,0,0|2,0,1]=4 552 B14R1.123 CSCCNC/C=C/c1ccccc1 34a_100020603302_100000212216 [1,0,0,0,0,0|2,0,1]=4 553 B14R1.123 CSCCNCC=Cc1ccccc1 270004a_100020590264_100000210105 [1,0,0,0,0,0|2,0,1]=4 554 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000210256_100000212216 [1,0,0,0,0,0|1,0,1]=3 555 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000230434_100016265936 [1,0,0,0,0,0|1,0,1]=3 556 B14R1.123 CSCCOC/C=C/c1ccccc1 7a_100000230434_100016265936 [1,0,0,0,0,0|1,0,1]=3 557 B14R1.123 CSCCOC/C=C/c1cccnc1 34a_200102594124_100000212216 [1,0,0,0,0,0|2,0,1]=4 558 B14R1.123 CSCCSC/C=C/c1ccccc1 62a_100000212216_100016265936 [1,0,0,0,0,0|1,1,1]=4 559 B14R1.123 CSCCSC/C=C/c1ccccc1 62a_100016265936_100000751147 [1,0,0,0,0,0|1,1,1]=4 560 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [1,0,0,0,0,0|1,0,1]=3 561 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100015189416_100016265936 [1,0,0,0,0,0|2,0,1]=4 562 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100020603302_100011934791 [1,0,0,0,0,0|2,0,1]=4 563 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100015189416_100016265936 [1,0,0,0,0,0|2,0,1]=4 564 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100020603302_100011934791 [1,0,0,0,0,0|2,0,1]=4 565 B14R1.123 FCCCNCC=Cc1ccccc1 270004a_100015189416_100000210105 [1,0,0,0,0,0|2,0,1]=4 566 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000210256_100011934791 [1,0,0,0,0,0|1,0,1]=3 567 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000759539_100016265936 [1,0,0,0,0,0|1,0,1]=3 568 B14R1.123 FCCCOC/C=C/c1cccnc1 34a_200102594124_100011934791 [1,0,0,0,0,0|2,0,1]=4 569 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100011934791_100016265936 [1,0,0,0,0,0|1,1,1]=4 570 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100016265936_100011934791 [1,0,0,0,0,0|1,1,1]=4 571 B14R1.123 NCCCOC/C=C/c1ccccc1 34a_100000182051_100016265936 [1,0,0,0,0,0|1,0,1]=3 572 B14R1.123 NOCCOC/C=C/c1ccccc1 34a_100000700252_100016265936 [1,0,0,0,0,0|2,0,1]=4 573 B14R1.123 OCCCNC/C=C/c1ccccc1 2230a_100020603302_100000230001 [1,0,0,0,0,0|2,0,1]=4 574 B14R1.123 OCCCNC/C=C/c1ccccc1 34a_100020603302_100000230001 [1,0,0,0,0,0|2,0,1]=4 575 B14R1.123 OCCCNCC=Cc1ccccc1 270004a_100000182051_100000210105 [1,0,0,0,0,0|2,0,1]=4 576 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [1,0,0,0,0,0|1,0,1]=3 577 B14R1.123 OCCCOC/C=C/c1cccnc1 34a_200102594124_100000230001 [1,0,0,0,0,0|2,0,1]=4 578 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100011215043_100016265936 [1,0,0,0,0,0|1,1,1]=4 579 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100016265936_100011215043 [1,0,0,0,0,0|1,1,1]=4 580 B14R1.123 OCCNN=CC=Cc1ccccc1 4a_100000210001_100000210105 [1,0,0,0,0,0|3,0,0]=4 581 B14R1.123 [13CH3]OCCNC/C=C/c1ccccc1 34a_100020603566_200025704644 [1,0,0,0,0,0|2,0,1]=4 582 B14R1.156 C#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000753159 [1,0,0,0,0,0|0,0,2]=3 583 B14R1.156 C#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000753159 [1,0,0,0,0,0|1,0,2]=4 584 B14R1.156 C#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000753159 [1,0,0,0,0,0|1,0,2]=4 585 B14R1.156 C#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000753159 [1,0,0,0,0,0|1,0,2]=4 586 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 11a_100000212058_100000210462 [1,0,0,0,0,0|1,0,2]=4 587 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 1626a_100000212058_100000210462 [1,0,0,0,0,0|1,0,2]=4 588 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [1,0,0,0,0,0|0,0,2]=3 589 B14R1.156 C/C=C/CC(=O)C=Cc1ccccn1 1458a_100000740811_100102629194 [1,0,0,0,0,0|1,0,2]=4 590 B14R1.156 C/C=C/CC(=O)C=Cc1cccnc1 1458a_100000735890_100102629194 [1,0,0,0,0,0|1,0,2]=4 591 B14R1.156 C/C=C/CC(=O)C=Cc1ccncc1 1458a_100000682801_100102629194 [1,0,0,0,0,0|1,0,2]=4 592 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [1,0,0,0,0,0|0,0,2]=3 593 B14R1.156 C=CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000754431 [1,0,0,0,0,0|1,0,2]=4 594 B14R1.156 C=CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000754431 [1,0,0,0,0,0|1,0,2]=4 595 B14R1.156 C=CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000754431 [1,0,0,0,0,0|1,0,2]=4 596 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 1626a_100020586998_100000210462 [1,0,0,0,0,0|1,0,2]=4 597 B14R1.156 CC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000748600 [1,0,0,0,0,0|0,0,2]=3 598 B14R1.156 CC#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000748600 [1,0,0,0,0,0|1,0,2]=4 599 B14R1.156 CC#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000748600 [1,0,0,0,0,0|1,0,2]=4 600 B14R1.156 CC#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000748600 [1,0,0,0,0,0|1,0,2]=4 601 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [1,0,0,0,0,0|0,0,2]=3 602 B14R1.156 CC=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000070051 [1,0,0,0,0,0|1,0,2]=4 603 B14R1.156 CC=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000070051 [1,0,0,0,0,0|1,0,2]=4 604 B14R1.156 CC=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000070051 [1,0,0,0,0,0|1,0,2]=4 605 B14R1.156 CCCCC(=NNc1ccccc1)C 4a_100015195140_100000210087 [1,0,0,0,0,0|3,0,0]=4 606 B14R1.156 CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210211 [1,0,0,0,0,0|0,0,2]=3 607 B14R1.156 CCCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210211 [1,0,0,0,0,0|1,0,2]=4 608 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [1,0,0,0,0,0|0,0,0]=1 609 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [1,0,0,0,0,0|1,0,0]=2 610 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [1,0,0,0,0,0|1,0,0]=2 611 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [1,0,0,0,0,0|1,0,0]=2 612 B14R1.156 CCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000032102 [1,0,0,0,0,0|2,0,0]=3 613 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [1,0,0,0,0,0|0,0,2]=3 614 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [1,0,0,0,0,0|0,0,2]=3 615 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100000210183_100015183660 [1,0,0,0,0,0|1,0,2]=4 616 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210211 [1,0,0,0,0,0|1,0,2]=4 617 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210211 [1,0,0,0,0,0|1,0,2]=4 618 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000210183_200011713674 [1,0,0,0,0,0|1,0,2]=4 619 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100000210183_100000723409 [1,0,0,0,0,0|1,0,2]=4 620 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210211 [1,0,0,0,0,0|1,0,2]=4 621 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [1,0,0,0,0,0|1,0,1]=3 622 B14R1.156 CCCCC(=O)COc1ccccn1 1458a_100102699861_100000210211 [1,0,0,0,0,0|2,0,1]=4 623 B14R1.156 CCCCC(=O)COc1cccnc1 1458a_100015207166_100000210211 [1,0,0,0,0,0|2,0,1]=4 624 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [1,0,0,0,0,0|1,0,1]=3 625 B14R1.156 CCCCC(=O)CSc1ccccn1 1458a_100000156281_100000210211 [1,0,0,0,0,0|2,0,1]=4 626 B14R1.156 CCCCC(=O)CSc1ccncc1 1458a_100000211328_100000210211 [1,0,0,0,0,0|2,0,1]=4 627 B14R1.156 CCCCC(=O)NCc1ccccc1 11a_100015324214_100000210183 [1,0,0,0,0,0|1,0,1]=3 628 B14R1.156 CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000210183 [1,0,0,0,0,0|1,0,1]=3 629 B14R1.156 CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000210183 [1,0,0,0,0,0|1,0,1]=3 630 B14R1.156 CCCCC(=O)NCc1ccccc1 527a_100015324214_100000210183 [1,0,0,0,0,0|1,0,1]=3 631 B14R1.156 CCCCC(=O)NCc1ccccn1 11a_100000210449_100000210183 [1,0,0,0,0,0|2,0,1]=4 632 B14R1.156 CCCCC(=O)NCc1ccccn1 1626a_100000210449_100000210183 [1,0,0,0,0,0|2,0,1]=4 633 B14R1.156 CCCCC(=O)NCc1ccccn1 240690a_100000210449_100000210183 [1,0,0,0,0,0|2,0,1]=4 634 B14R1.156 CCCCC(=O)NCc1ccccn1 527a_100000210449_100000210183 [1,0,0,0,0,0|2,0,1]=4 635 B14R1.156 CCCCC(=O)NCc1cccnc1 11a_100000210453_100000210183 [1,0,0,0,0,0|2,0,1]=4 636 B14R1.156 CCCCC(=O)NCc1cccnc1 240690a_100000210453_100000210183 [1,0,0,0,0,0|2,0,1]=4 637 B14R1.156 CCCCC(=O)NCc1cccnc1 527a_100000210453_100000210183 [1,0,0,0,0,0|2,0,1]=4 638 B14R1.156 CCCCC(=O)NCc1ccncc1 11a_100000210450_100000210183 [1,0,0,0,0,0|2,0,1]=4 639 B14R1.156 CCCCC(=O)NCc1ccncc1 1626a_100000210450_100000210183 [1,0,0,0,0,0|2,0,1]=4 640 B14R1.156 CCCCC(=O)NCc1ccncc1 240690a_100000210450_100000210183 [1,0,0,0,0,0|2,0,1]=4 641 B14R1.156 CCCCC(=O)NCc1ccncc1 527a_100000210450_100000210183 [1,0,0,0,0,0|2,0,1]=4 642 B14R1.156 CCCCC(=O)NNc1ccccc1 22a_100015195140_100000210183 [1,0,0,0,0,0|2,0,0]=3 643 B14R1.156 CCCCC(=O)NNc1ccccn1 22a_100000183288_100000210183 [1,0,0,0,0,0|3,0,0]=4 644 B14R1.156 CCCCC(=O)NNc1cccnc1 22a_100000728903_100000210183 [1,0,0,0,0,0|3,0,0]=4 645 B14R1.156 CCCCC(=O)NNc1ccncc1 22a_100000698918_100000210183 [1,0,0,0,0,0|3,0,0]=4 646 B14R1.156 CCCNC(=O)C#Cc1ccccc1 240690a_100020643023_100000736102 [1,0,0,0,0,0|1,0,2]=4 647 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [1,0,0,0,0,0|1,0,0]=2 648 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [1,0,0,0,0,0|1,0,0]=2 649 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [1,0,0,0,0,0|2,0,0]=3 650 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [1,0,0,0,0,0|2,0,0]=3 651 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [1,0,0,0,0,0|2,0,0]=3 652 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [1,0,0,0,0,0|2,0,0]=3 653 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [1,0,0,0,0,0|2,0,0]=3 654 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 655 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 656 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 657 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [1,0,0,0,0,0|1,0,2]=4 658 B14R1.156 CCCNC(=O)CNc1ccccc1 34a_100000106764_100000183358 [1,0,0,0,0,0|2,0,1]=4 659 B14R1.156 CCCNC(=O)COc1ccccc1 11a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 660 B14R1.156 CCCNC(=O)COc1ccccc1 1626a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 661 B14R1.156 CCCNC(=O)COc1ccccc1 240690a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 662 B14R1.156 CCCNC(=O)COc1ccccc1 34a_100000210340_100000183358 [1,0,0,0,0,0|2,0,1]=4 663 B14R1.156 CCCNC(=O)COc1ccccc1 527a_100020643023_100000186222 [1,0,0,0,0,0|2,0,1]=4 664 B14R1.156 CCCNC(=O)COc1ccccc1 7a_100000210340_100000183358 [1,0,0,0,0,0|2,0,1]=4 665 B14R1.156 CCCNC(=O)CSc1ccccc1 11a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 666 B14R1.156 CCCNC(=O)CSc1ccccc1 1626a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 667 B14R1.156 CCCNC(=O)CSc1ccccc1 240690a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 668 B14R1.156 CCCNC(=O)CSc1ccccc1 527a_100020643023_100000211596 [1,0,0,0,0,0|2,0,1]=4 669 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000183358_100000041952 [1,0,0,0,0,0|2,0,1]=4 670 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000719477_100000183358 [1,0,0,0,0,0|2,0,1]=4 671 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100015324214_100020643023 [1,0,0,0,0,0|2,0,1]=4 672 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100020643023_100015324214 [1,0,0,0,0,0|2,0,1]=4 673 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100015324214_100020643023 [1,0,0,0,0,0|2,0,1]=4 674 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100020643023_100015324214 [1,0,0,0,0,0|2,0,1]=4 675 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100015324214_100020643023 [1,0,0,0,0,0|2,0,1]=4 676 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100020643023_100015324214 [1,0,0,0,0,0|2,0,1]=4 677 B14R1.156 CCCNC(=O)NNc1ccccc1 273464a_100020643023_100015195140 [1,0,0,0,0,0|3,0,0]=4 678 B14R1.156 CCCNC(=O)NNc1ccccc1 512a_100020643023_100015195140 [1,0,0,0,0,0|3,0,0]=4 679 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [1,0,0,0,0,0|1,0,1]=3 680 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [1,0,0,0,0,0|1,0,1]=3 681 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [1,0,0,0,0,0|1,0,1]=3 682 B14R1.156 CCCOC(=O)COc1cccnc1 34a_100000210849_200011215008 [1,0,0,0,0,0|2,0,1]=4 683 B14R1.156 CCCOC(=O)COc1cccnc1 7a_100000210849_200011215008 [1,0,0,0,0,0|2,0,1]=4 684 B14R1.156 CCCOC(=O)COc1ccncc1 34a_100000212176_200011215008 [1,0,0,0,0,0|2,0,1]=4 685 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [1,0,0,0,0,0|1,0,1]=3 686 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [1,0,0,0,0,0|1,0,1]=3 687 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_100011216584_200011215008 [1,0,0,0,0,0|2,0,1]=4 688 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_200011215008_100011216584 [1,0,0,0,0,0|2,0,1]=4 689 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_100000210063_200011215008 [1,0,0,0,0,0|2,0,1]=4 690 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_200011215008_100000210063 [1,0,0,0,0,0|2,0,1]=4 691 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_100000728582_200011215008 [1,0,0,0,0,0|2,0,1]=4 692 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_200011215008_100000728582 [1,0,0,0,0,0|2,0,1]=4 693 B14R1.156 CCNCC(=O)CCc1ccccc1 2230a_100015525214_100012361361 [1,0,0,0,0,0|1,0,2]=4 694 B14R1.156 CCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210202 [1,0,0,0,0,0|2,0,1]=4 695 B14R1.156 CCNCC(=O)NCc1ccccc1 2230a_100015525214_100000183539 [1,0,0,0,0,0|2,0,1]=4 696 B14R1.156 CCNCC(=O)OCc1ccccc1 2230a_100015525214_100000753625 [1,0,0,0,0,0|2,0,1]=4 697 B14R1.156 CCNN=C(C)C=Cc1ccccc1 4a_100000756455_100000204604 [1,0,0,0,0,0|3,0,0]=4 698 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [1,0,0,0,0,0|2,0,0]=3 699 B14R1.156 CCNNC(=O)C=Cc1ccccn1 22a_100000756455_100000740811 [1,0,0,0,0,0|3,0,0]=4 700 B14R1.156 CCNNC(=O)C=Cc1cccnc1 22a_100000756455_100000735890 [1,0,0,0,0,0|3,0,0]=4 701 B14R1.156 CCNNC(=O)C=Cc1ccncc1 22a_100000756455_100000682801 [1,0,0,0,0,0|3,0,0]=4 702 B14R1.156 CCOCC(=O)C=Cc1cncnc1 6a_100000749868_100000209952 [1,0,0,0,0,0|3,0,0]=4 703 B14R1.156 CCOCC(=O)CCc1ccccc1 1458a_100000211967_100000765856 [1,0,0,0,0,0|1,0,2]=4 704 B14R1.156 CCOCC(=O)CCc1ccccc1 34a_100121572206_100012361361 [1,0,0,0,0,0|1,0,2]=4 705 B14R1.156 CCOCC(=O)NCc1ccccc1 11a_100015324214_100000211967 [1,0,0,0,0,0|2,0,1]=4 706 B14R1.156 CCOCC(=O)NCc1ccccc1 1626a_100015324214_100000211967 [1,0,0,0,0,0|2,0,1]=4 707 B14R1.156 CCOCC(=O)NCc1ccccc1 240690a_100015324214_100000211967 [1,0,0,0,0,0|2,0,1]=4 708 B14R1.156 CCOCC(=O)NCc1ccccc1 34a_100121572206_100000183539 [1,0,0,0,0,0|2,0,1]=4 709 B14R1.156 CCOCC(=O)NCc1ccccc1 527a_100015324214_100000211967 [1,0,0,0,0,0|2,0,1]=4 710 B14R1.156 CCOCC(=O)NNc1ccccc1 22a_100015195140_100000211967 [1,0,0,0,0,0|3,0,0]=4 711 B14R1.156 CCOCC(=O)OCc1ccccc1 34a_100121572206_100000753625 [1,0,0,0,0,0|2,0,1]=4 712 B14R1.156 CCSCC(=O)C=Cc1cncnc1 6a_100000749868_200011216171 [1,0,0,0,0,0|3,0,0]=4 713 B14R1.156 CCSCC(=O)CCc1ccccc1 1458a_100000230394_100000765856 [1,0,0,0,0,0|1,0,2]=4 714 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100000210202_100012361361 [1,0,0,0,0,0|1,0,2]=4 715 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210202 [1,0,0,0,0,0|1,0,2]=4 716 B14R1.156 CCSCC(=O)NCc1ccccc1 11a_100015324214_100000230394 [1,0,0,0,0,0|2,0,1]=4 717 B14R1.156 CCSCC(=O)NCc1ccccc1 1626a_100015324214_100000230394 [1,0,0,0,0,0|2,0,1]=4 718 B14R1.156 CCSCC(=O)NCc1ccccc1 240690a_100015324214_100000230394 [1,0,0,0,0,0|2,0,1]=4 719 B14R1.156 CCSCC(=O)NCc1ccccc1 527a_100015324214_100000230394 [1,0,0,0,0,0|2,0,1]=4 720 B14R1.156 CCSCC(=O)NCc1ccccc1 62a_100000183539_100000210202 [1,0,0,0,0,0|2,0,1]=4 721 B14R1.156 CCSCC(=O)NCc1ccccc1 62a_100000210202_100000183539 [1,0,0,0,0,0|2,0,1]=4 722 B14R1.156 CCSCC(=O)NNc1ccccc1 22a_100015195140_100000230394 [1,0,0,0,0,0|3,0,0]=4 723 B14R1.156 CCSCC(=O)OCc1ccccc1 62a_100000210202_100000753625 [1,0,0,0,0,0|2,0,1]=4 724 B14R1.156 CCSCC(=O)OCc1ccccc1 62a_100000753625_100000210202 [1,0,0,0,0,0|2,0,1]=4 725 B14R1.156 CNCCC(=O)NCc1ccccc1 2230a_100025741942_200000210301 [1,0,0,0,0,0|2,0,1]=4 726 B14R1.156 CNCCC(=O)NCc1ccccc1 34a_100025741942_200000210301 [1,0,0,0,0,0|2,0,1]=4 727 B14R1.156 CNCCC(=O)OCc1ccccc1 2230a_106832991635_100009813219 [1,0,0,0,0,0|2,0,1]=4 728 B14R1.156 CNCCC(=O)OCc1ccccc1 7a_106832991635_100009813219 [1,0,0,0,0,0|2,0,1]=4 729 B14R1.156 COCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000233755 [1,0,0,0,0,0|1,0,2]=4 730 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [1,0,0,0,0,0|1,0,0]=2 731 B14R1.156 COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000233755 [1,0,0,0,0,0|2,0,0]=3 732 B14R1.156 COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000233755 [1,0,0,0,0,0|2,0,0]=3 733 B14R1.156 COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000233755 [1,0,0,0,0,0|2,0,0]=3 734 B14R1.156 COCCC(=O)C=Cc1cncnc1 6a_100000749868_100000742357 [1,0,0,0,0,0|3,0,0]=4 735 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000185753_100000233755 [1,0,0,0,0,0|1,0,2]=4 736 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000749529_100000765856 [1,0,0,0,0,0|1,0,2]=4 737 B14R1.156 COCCC(=O)COc1ccccc1 1458a_100000186222_100000233755 [1,0,0,0,0,0|2,0,1]=4 738 B14R1.156 COCCC(=O)CSc1ccccc1 1458a_100000211596_100000233755 [1,0,0,0,0,0|2,0,1]=4 739 B14R1.156 COCCC(=O)NCc1ccccc1 11a_100015324214_100000749529 [1,0,0,0,0,0|2,0,1]=4 740 B14R1.156 COCCC(=O)NCc1ccccc1 1626a_100015324214_100000749529 [1,0,0,0,0,0|2,0,1]=4 741 B14R1.156 COCCC(=O)NCc1ccccc1 240690a_100015324214_100000749529 [1,0,0,0,0,0|2,0,1]=4 742 B14R1.156 COCCC(=O)NCc1ccccc1 527a_100015324214_100000749529 [1,0,0,0,0,0|2,0,1]=4 743 B14R1.156 COCCC(=O)NNc1ccccc1 22a_100015195140_100000749529 [1,0,0,0,0,0|3,0,0]=4 744 B14R1.156 COCCC(=O)OCc1ccccc1 7a_100009831632_200000210301 [1,0,0,0,0,0|2,0,1]=4 745 B14R1.156 CSCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000751147 [1,0,0,0,0,0|1,0,2]=4 746 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [1,0,0,0,0,0|1,0,0]=2 747 B14R1.156 CSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000751147 [1,0,0,0,0,0|2,0,0]=3 748 B14R1.156 CSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000751147 [1,0,0,0,0,0|2,0,0]=3 749 B14R1.156 CSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000751147 [1,0,0,0,0,0|2,0,0]=3 750 B14R1.156 CSCCC(=O)C=Cc1cncnc1 6a_100000749868_100011217047 [1,0,0,0,0,0|3,0,0]=4 751 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000174002_100000765856 [1,0,0,0,0,0|1,0,2]=4 752 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000185753_100000751147 [1,0,0,0,0,0|1,0,2]=4 753 B14R1.156 CSCCC(=O)COc1ccccc1 1458a_100000186222_100000751147 [1,0,0,0,0,0|2,0,1]=4 754 B14R1.156 CSCCC(=O)CSc1ccccc1 1458a_100000211596_100000751147 [1,0,0,0,0,0|2,0,1]=4 755 B14R1.156 CSCCC(=O)NCc1ccccc1 11a_100015324214_100000174002 [1,0,0,0,0,0|2,0,1]=4 756 B14R1.156 CSCCC(=O)NCc1ccccc1 1626a_100015324214_100000174002 [1,0,0,0,0,0|2,0,1]=4 757 B14R1.156 CSCCC(=O)NCc1ccccc1 240690a_100015324214_100000174002 [1,0,0,0,0,0|2,0,1]=4 758 B14R1.156 CSCCC(=O)NCc1ccccc1 527a_100015324214_100000174002 [1,0,0,0,0,0|2,0,1]=4 759 B14R1.156 CSCCC(=O)NNc1ccccc1 22a_100015195140_100000174002 [1,0,0,0,0,0|3,0,0]=4 760 B14R1.156 CSCCC(=O)OCc1ccccc1 62a_100009813219_200000210301 [1,0,0,0,0,0|2,0,1]=4 761 B14R1.156 CSCCC(=O)OCc1ccccc1 62a_200000210301_100009813219 [1,0,0,0,0,0|2,0,1]=4 762 B14R1.156 N#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215226 [1,0,0,0,0,0|1,0,1]=3 763 B14R1.156 N#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215226 [1,0,0,0,0,0|2,0,1]=4 764 B14R1.156 N#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215226 [1,0,0,0,0,0|2,0,1]=4 765 B14R1.156 N#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215226 [1,0,0,0,0,0|2,0,1]=4 766 B14R1.156 N#CCNC(=O)C=Cc1ccccc1 1626a_100000734998_100000210462 [1,0,0,0,0,0|2,0,1]=4 767 B14R1.156 O=C(C#Cc1ccccc1)CCCF 1458a_100000736102_100011934791 [1,0,0,0,0,0|1,0,2]=4 768 B14R1.156 O=C(C#Cc1ccccc1)CCCO 1458a_100000736102_100011215043 [1,0,0,0,0,0|1,0,2]=4 769 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [1,0,0,0,0,0|1,0,0]=2 770 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [1,0,0,0,0,0|1,0,0]=2 771 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [1,0,0,0,0,0|2,0,0]=3 772 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [1,0,0,0,0,0|2,0,0]=3 773 B14R1.156 O=C(C=Cc1ccccn1)CCCF 1458a_100000740811_100011934791 [1,0,0,0,0,0|2,0,0]=3 774 B14R1.156 O=C(C=Cc1ccccn1)CCCO 1458a_100000740811_100011215043 [1,0,0,0,0,0|2,0,0]=3 775 B14R1.156 O=C(C=Cc1ccccn1)NCCF 11a_100000724931_100000740811 [1,0,0,0,0,0|3,0,0]=4 776 B14R1.156 O=C(C=Cc1ccccn1)NCCF 240690a_100000724931_100000740811 [1,0,0,0,0,0|3,0,0]=4 777 B14R1.156 O=C(C=Cc1ccccn1)NCCO 240690a_100000210304_100000740811 [1,0,0,0,0,0|3,0,0]=4 778 B14R1.156 O=C(C=Cc1cccnc1)CCCF 1458a_100000735890_100011934791 [1,0,0,0,0,0|2,0,0]=3 779 B14R1.156 O=C(C=Cc1cccnc1)CCCO 1458a_100000735890_100011215043 [1,0,0,0,0,0|2,0,0]=3 780 B14R1.156 O=C(C=Cc1cccnc1)NCCF 11a_100000724931_100000735890 [1,0,0,0,0,0|3,0,0]=4 781 B14R1.156 O=C(C=Cc1cccnc1)NCCF 240690a_100000724931_100000735890 [1,0,0,0,0,0|3,0,0]=4 782 B14R1.156 O=C(C=Cc1cccnc1)NCCO 240690a_100000210304_100000735890 [1,0,0,0,0,0|3,0,0]=4 783 B14R1.156 O=C(C=Cc1ccncc1)CCCF 1458a_100000682801_100011934791 [1,0,0,0,0,0|2,0,0]=3 784 B14R1.156 O=C(C=Cc1ccncc1)CCCO 1458a_100000682801_100011215043 [1,0,0,0,0,0|2,0,0]=3 785 B14R1.156 O=C(C=Cc1ccncc1)NCCF 240690a_100000724931_100000682801 [1,0,0,0,0,0|3,0,0]=4 786 B14R1.156 O=C(C=Cc1ccncc1)NCCO 240690a_100000210304_100000682801 [1,0,0,0,0,0|3,0,0]=4 787 B14R1.156 O=C(C=Cc1cncnc1)CCCBr 6a_100000749868_100000685027 [1,0,0,0,0,0|3,0,0]=4 788 B14R1.156 O=C(C=Cc1cncnc1)CCCCl 6a_100000749868_100011215641 [1,0,0,0,0,0|3,0,0]=4 789 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [1,0,0,0,0,0|1,0,2]=4 790 B14R1.156 O=C(CCCF)COc1ccccc1 1458a_100000186222_100011934791 [1,0,0,0,0,0|2,0,1]=4 791 B14R1.156 O=C(CCCF)CSc1ccccc1 1458a_100000211596_100011934791 [1,0,0,0,0,0|2,0,1]=4 792 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [1,0,0,0,0,0|1,0,2]=4 793 B14R1.156 O=C(CCCO)COc1ccccc1 1458a_100000186222_100011215043 [1,0,0,0,0,0|2,0,1]=4 794 B14R1.156 O=C(CCCO)CSc1ccccc1 1458a_100000211596_100011215043 [1,0,0,0,0,0|2,0,1]=4 795 B14R1.156 [13CH3]NCCC(=O)NCc1ccccc1 2230a_100025741942_200025704644 [1,0,0,0,0,0|2,0,1]=4 796 B14R1.156 [13CH3]NCCC(=O)NCc1ccccc1 34a_100025741942_200025704644 [1,0,0,0,0,0|2,0,1]=4 797 B14R1.156 [13CH3]OCCC(=O)OCc1ccccc1 7a_100009831632_200025704644 [1,0,0,0,0,0|2,0,1]=4 798 B14R1.156 [13CH3]SCCC(=O)OCc1ccccc1 62a_100009813219_200025704644 [1,0,0,0,0,0|2,0,1]=4 799 B14R1.156 [13CH3]SCCC(=O)OCc1ccccc1 62a_200025704644_100009813219 [1,0,0,0,0,0|2,0,1]=4 800 B16R1.35 C#CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000731252 [0,1,0,0,0,0|1,0,2]=4 801 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 11a_100000755551_100000743005 [0,1,0,0,0,0|1,0,2]=4 802 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 1626a_100000755551_100000743005 [0,1,0,0,0,0|1,0,2]=4 803 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 240690a_100000755551_100000743005 [0,1,0,0,0,0|1,0,2]=4 804 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 527a_100000755551_100000743005 [0,1,0,0,0,0|1,0,2]=4 805 B16R1.35 C=CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000757094 [0,1,0,0,0,0|1,0,2]=4 806 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 11a_100015191253_100000743005 [0,1,0,0,0,0|1,0,2]=4 807 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 1626a_100015191253_100000743005 [0,1,0,0,0,0|1,0,2]=4 808 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 240690a_100015191253_100000743005 [0,1,0,0,0,0|1,0,2]=4 809 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 527a_100015191253_100000743005 [0,1,0,0,0,0|1,0,2]=4 810 B16R1.35 CC#CCNC(=O)C=C(C)c1ccccc1 11a_100000685387_100000743005 [0,1,0,0,0,0|1,0,2]=4 811 B16R1.35 CC#CCNC(=O)C=C(C)c1ccccc1 1626a_100000685387_100000743005 [0,1,0,0,0,0|1,0,2]=4 812 B16R1.35 CC#CCNC(=O)C=C(C)c1ccccc1 527a_100000685387_100000743005 [0,1,0,0,0,0|1,0,2]=4 813 B16R1.35 CC(=CC(=O)CCCC#N)c1ccccc1 1458a_100000743005_100000211468 [0,1,0,0,0,0|2,0,1]=4 814 B16R1.35 CC(=CC(=O)CCCCF)c1ccccc1 1458a_100000743005_100000729493 [0,1,0,0,0,0|2,0,0]=3 815 B16R1.35 CC(=CC(=O)CCCCO)c1ccccc1 1458a_100000743005_100000210776 [0,1,0,0,0,0|2,0,0]=3 816 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 11a_100000720768_100000743005 [0,1,0,0,0,0|2,0,1]=4 817 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000743005 [0,1,0,0,0,0|2,0,1]=4 818 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000743005 [0,1,0,0,0,0|2,0,1]=4 819 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 527a_100000720768_100000743005 [0,1,0,0,0,0|2,0,1]=4 820 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 11a_100015189416_100000743005 [0,1,0,0,0,0|2,0,0]=3 821 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 1626a_100015189416_100000743005 [0,1,0,0,0,0|2,0,0]=3 822 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 240690a_100015189416_100000743005 [0,1,0,0,0,0|2,0,0]=3 823 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 527a_100015189416_100000743005 [0,1,0,0,0,0|2,0,0]=3 824 B16R1.35 CC(=CC(=O)NCCCO)c1ccccc1 240690a_100000182051_100000743005 [0,1,0,0,0,0|2,0,0]=3 825 B16R1.35 CC(=CC(=O)NCCCO)c1ccccc1 527a_100000182051_100000743005 [0,1,0,0,0,0|2,0,0]=3 826 B16R1.35 CC(=CC(=O)NNCCO)c1ccccc1 22a_100000210001_100000743005 [0,1,0,0,0,0|3,0,0]=4 827 B16R1.35 CC/C=C\CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100103147603 [0,1,0,0,0,0|1,0,2]=4 828 B16R1.35 CCC#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100009813939 [0,1,0,0,0,0|1,0,2]=4 829 B16R1.35 CCCC#CC(=O)CC(=O)c1ccccc1 1458a_200011218047_100000211460 [0,1,0,0,0,0|1,0,2]=4 830 B16R1.35 CCCC=CC(=O)CC(=O)c1ccccc1 1458a_100000212230_100000211460 [0,1,0,0,0,0|1,0,2]=4 831 B16R1.35 CCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210326 [0,1,0,0,0,0|1,0,0]=2 832 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_200012276598 [0,1,0,0,0,0|1,0,1]=3 833 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000212188_100000211460 [0,1,0,0,0,0|1,0,1]=3 834 B16R1.35 CCCCCC(=O)CC(=O)c1ccccn1 1458a_100000212188_100000027445 [0,1,0,0,0,0|2,0,1]=4 835 B16R1.35 CCCCCC(=O)CC(=O)c1cccnc1 1458a_100000212188_100015188593 [0,1,0,0,0,0|2,0,1]=4 836 B16R1.35 CCCCCC(=O)CC(=O)c1ccncc1 1458a_100000212188_100000027454 [0,1,0,0,0,0|2,0,1]=4 837 B16R1.35 CCCCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210326 [0,1,0,0,0,0|1,0,2]=4 838 B16R1.35 CCCCCC(=O)CC(C)c1ccccc1 1458a_100000212188_100000756946 [0,1,0,0,0,0|1,0,2]=4 839 B16R1.35 CCCCCC(=O)CC(O)c1ccccc1 1458a_100000212188_100000185958 [0,1,0,0,0,0|1,0,2]=4 840 B16R1.35 CCCCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210326 [0,1,0,0,0,0|1,0,2]=4 841 B16R1.35 CCCCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210326 [0,1,0,0,0,0|2,0,1]=4 842 B16R1.35 CCCCCC(=O)CN(C)c1ccccc1 2230a_100000210012_200012276598 [0,1,0,0,0,0|2,0,1]=4 843 B16R1.35 CCCCCC(=O)CN(C)c1ccccc1 269982a_100000210012_200012276598 [0,1,0,0,0,0|2,0,1]=4 844 B16R1.35 CCCCCC(=O)CN(C)c1ccccc1 34a_100000210012_200012276598 [0,1,0,0,0,0|2,0,1]=4 845 B16R1.35 CCCCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000212188_100011933945 [0,1,0,0,0,0|1,0,2]=4 846 B16R1.35 CCCCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000212188 [0,1,0,0,0,0|2,0,1]=4 847 B16R1.35 CCCCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000212188 [0,1,0,0,0,0|2,0,1]=4 848 B16R1.35 CCCCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000212188 [0,1,0,0,0,0|2,0,1]=4 849 B16R1.35 CCCCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000212188 [0,1,0,0,0,0|2,0,1]=4 850 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 11a_100000102301_100000743005 [0,1,0,0,0,0|1,0,0]=2 851 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 1626a_100000102301_100000743005 [0,1,0,0,0,0|1,0,0]=2 852 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 240690a_100000102301_100000743005 [0,1,0,0,0,0|1,0,0]=2 853 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 527a_100000102301_100000743005 [0,1,0,0,0,0|1,0,0]=2 854 B16R1.35 CCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182744 [0,1,0,0,0,0|1,0,1]=3 855 B16R1.35 CCCCNC(=O)CC(C)c1ccccc1 11a_100000102301_100000183687 [0,1,0,0,0,0|1,0,2]=4 856 B16R1.35 CCCCNC(=O)CC(C)c1ccccc1 1626a_100000102301_100000183687 [0,1,0,0,0,0|1,0,2]=4 857 B16R1.35 CCCCNC(=O)CC(C)c1ccccc1 240690a_100000102301_100000183687 [0,1,0,0,0,0|1,0,2]=4 858 B16R1.35 CCCCNC(=O)CC(C)c1ccccc1 527a_100000102301_100000183687 [0,1,0,0,0,0|1,0,2]=4 859 B16R1.35 CCCCNC(=O)CC(O)c1ccccc1 240690a_100000102301_100000690199 [0,1,0,0,0,0|1,0,2]=4 860 B16R1.35 CCCCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000182744 [0,1,0,0,0,0|2,0,1]=4 861 B16R1.35 CCCCNC(=O)CN(C)c1ccccc1 240690a_100000102301_100000745425 [0,1,0,0,0,0|2,0,1]=4 862 B16R1.35 CCCCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000182744 [0,1,0,0,0,0|2,0,1]=4 863 B16R1.35 CCCCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000182744 [0,1,0,0,0,0|2,0,1]=4 864 B16R1.35 CCCCNC(=O)CN(C)c1ccccc1 527a_100000102301_100000745425 [0,1,0,0,0,0|2,0,1]=4 865 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 2708a_100000102301_100000751104 [0,1,0,0,0,0|2,0,1]=4 866 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100000102301 [0,1,0,0,0,0|2,0,1]=4 867 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 273464a_100000102301_100000751104 [0,1,0,0,0,0|2,0,1]=4 868 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100000102301 [0,1,0,0,0,0|2,0,1]=4 869 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 512a_100000102301_100000751104 [0,1,0,0,0,0|2,0,1]=4 870 B16R1.35 CCCCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100000102301 [0,1,0,0,0,0|2,0,1]=4 871 B16R1.35 CCCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000211628 [0,1,0,0,0,0|0,0,1]=2 872 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000211628 [0,1,0,0,0,0|1,0,1]=3 873 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000211628 [0,1,0,0,0,0|1,0,1]=3 874 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000211628 [0,1,0,0,0,0|1,0,1]=3 875 B16R1.35 CCCNNC(=O)C=C(C)c1ccccc1 22a_100000740057_100000743005 [0,1,0,0,0,0|2,0,0]=3 876 B16R1.35 CCCOCC(=O)CC(=O)c1ccccc1 1458a_100000745993_100000211460 [0,1,0,0,0,0|2,0,1]=4 877 B16R1.35 CCCSCC(=O)CC(=O)c1ccccc1 1458a_100000217233_100000211460 [0,1,0,0,0,0|2,0,1]=4 878 B16R1.35 CCCSCC(=O)NC(=O)c1ccccc1 62a_100000210303_100000010347 [0,1,0,0,0,0|3,0,0]=4 879 B16R1.35 CCOCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215890 [0,1,0,0,0,0|2,0,0]=3 880 B16R1.35 CCOCCC(=O)CC(=O)c1ccccc1 1458a_100000749530_100000211460 [0,1,0,0,0,0|2,0,1]=4 881 B16R1.35 CCSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000757381 [0,1,0,0,0,0|2,0,0]=3 882 B16R1.35 CCSCCC(=O)CC(=O)c1ccccc1 1458a_100000230768_100000211460 [0,1,0,0,0,0|2,0,1]=4 883 B16R1.35 COCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000740836 [0,1,0,0,0,0|2,0,0]=3 884 B16R1.35 COCCCC(=O)CC(=O)c1ccccc1 1458a_100000741012_100000211460 [0,1,0,0,0,0|2,0,1]=4 885 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 1626a_100000209980_100000743005 [0,1,0,0,0,0|2,0,0]=3 886 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 240690a_100000209980_100000743005 [0,1,0,0,0,0|2,0,0]=3 887 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 527a_100000209980_100000743005 [0,1,0,0,0,0|2,0,0]=3 888 B16R1.35 COCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183275 [0,1,0,0,0,0|2,0,1]=4 889 B16R1.35 COCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200000040189 [0,1,0,0,0,0|1,0,1]=3 890 B16R1.35 COCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200000040189 [0,1,0,0,0,0|2,0,1]=4 891 B16R1.35 COCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200000040189 [0,1,0,0,0,0|2,0,1]=4 892 B16R1.35 COCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200000040189 [0,1,0,0,0,0|2,0,1]=4 893 B16R1.35 CSCCCC(=O)CC(=O)c1ccccc1 1458a_100000173376_100000211460 [0,1,0,0,0,0|2,0,1]=4 894 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 11a_100020590264_100000743005 [0,1,0,0,0,0|2,0,0]=3 895 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 1626a_100020590264_100000743005 [0,1,0,0,0,0|2,0,0]=3 896 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 240690a_100020590264_100000743005 [0,1,0,0,0,0|2,0,0]=3 897 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 527a_100020590264_100000743005 [0,1,0,0,0,0|2,0,0]=3 898 B16R1.35 O=C(CCCCO)CC(=O)c1ccccc1 1458a_100000695505_100000211460 [0,1,0,0,0,0|2,0,1]=4 899 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000731252 [0,1,0,0,0,0|1,0,2]=4 900 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000731252 [0,1,0,0,0,0|1,0,2]=4 901 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000731252 [0,1,0,0,0,0|1,0,2]=4 902 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000731252 [0,1,0,0,0,0|1,0,2]=4 903 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000731252 [0,1,0,0,0,0|1,0,2]=4 904 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000755551_100016267368 [0,1,0,0,0,0|1,0,2]=4 905 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000755551_100016267368 [0,1,0,0,0,0|1,0,2]=4 906 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C 11a_100000755551_100000716854 [0,1,0,0,0,0|1,0,2]=4 907 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000755551_100000716854 [0,1,0,0,0,0|1,0,2]=4 908 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000755551_100000716854 [0,1,0,0,0,0|1,0,2]=4 909 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000755551_100000184863 [0,1,0,0,0,0|1,0,2]=4 910 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000755551_100000184863 [0,1,0,0,0,0|1,0,2]=4 911 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000755551_100000184863 [0,1,0,0,0,0|1,0,2]=4 912 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F 11a_100000755551_100000182136 [0,1,0,0,0,0|1,0,2]=4 913 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000755551_100000182136 [0,1,0,0,0,0|1,0,2]=4 914 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000755551_100000182136 [0,1,0,0,0,0|1,0,2]=4 915 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)I 11a_100000755551_100102526154 [0,1,0,0,0,0|1,0,2]=4 916 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000755551_100102526154 [0,1,0,0,0,0|1,0,2]=4 917 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000755551_100102526154 [0,1,0,0,0,0|1,0,2]=4 918 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000755551_100016269017 [0,1,0,0,0,0|1,0,2]=4 919 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000757094 [0,1,0,0,0,0|1,0,2]=4 920 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000757094 [0,1,0,0,0,0|1,0,2]=4 921 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000757094 [0,1,0,0,0,0|1,0,2]=4 922 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000757094 [0,1,0,0,0,0|1,0,2]=4 923 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000757094 [0,1,0,0,0,0|1,0,2]=4 924 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100015191253_100016267368 [0,1,0,0,0,0|1,0,2]=4 925 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100015191253_100016267368 [0,1,0,0,0,0|1,0,2]=4 926 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 11a_100015191253_100000716854 [0,1,0,0,0,0|1,0,2]=4 927 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100015191253_100000716854 [0,1,0,0,0,0|1,0,2]=4 928 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100015191253_100000716854 [0,1,0,0,0,0|1,0,2]=4 929 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015191253_100000184863 [0,1,0,0,0,0|1,0,2]=4 930 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100015191253_100000184863 [0,1,0,0,0,0|1,0,2]=4 931 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015191253_100000184863 [0,1,0,0,0,0|1,0,2]=4 932 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 11a_100015191253_100000182136 [0,1,0,0,0,0|1,0,2]=4 933 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100015191253_100000182136 [0,1,0,0,0,0|1,0,2]=4 934 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100015191253_100000182136 [0,1,0,0,0,0|1,0,2]=4 935 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 11a_100015191253_100102526154 [0,1,0,0,0,0|1,0,2]=4 936 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100015191253_100102526154 [0,1,0,0,0,0|1,0,2]=4 937 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100015191253_100102526154 [0,1,0,0,0,0|1,0,2]=4 938 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100015191253_100016269017 [0,1,0,0,0,0|1,0,2]=4 939 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000685387_100016267368 [0,1,0,0,0,0|1,0,2]=4 940 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000685387_100016267368 [0,1,0,0,0,0|1,0,2]=4 941 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)C 11a_100000685387_100000716854 [0,1,0,0,0,0|1,0,2]=4 942 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)C 1626a_100000685387_100000716854 [0,1,0,0,0,0|1,0,2]=4 943 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000685387_100000184863 [0,1,0,0,0,0|1,0,2]=4 944 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000685387_100000184863 [0,1,0,0,0,0|1,0,2]=4 945 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)F 11a_100000685387_100000182136 [0,1,0,0,0,0|1,0,2]=4 946 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000685387_100000182136 [0,1,0,0,0,0|1,0,2]=4 947 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)I 11a_100000685387_100102526154 [0,1,0,0,0,0|1,0,2]=4 948 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000685387_100102526154 [0,1,0,0,0,0|1,0,2]=4 949 B16R1.51 CC/C=C\CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100103147603 [0,1,0,0,0,0|1,0,2]=4 950 B16R1.51 CC/C=C\CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100103147603 [0,1,0,0,0,0|1,0,2]=4 951 B16R1.51 CC/C=C\CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100103147603 [0,1,0,0,0,0|1,0,2]=4 952 B16R1.51 CC/C=C\CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100103147603 [0,1,0,0,0,0|1,0,2]=4 953 B16R1.51 CC/C=C\CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100103147603 [0,1,0,0,0,0|1,0,2]=4 954 B16R1.51 CCC#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100009813939 [0,1,0,0,0,0|1,0,2]=4 955 B16R1.51 CCC#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100009813939 [0,1,0,0,0,0|1,0,2]=4 956 B16R1.51 CCC#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100009813939 [0,1,0,0,0,0|1,0,2]=4 957 B16R1.51 CCC#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100009813939 [0,1,0,0,0,0|1,0,2]=4 958 B16R1.51 CCC#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100009813939 [0,1,0,0,0,0|1,0,2]=4 959 B16R1.51 CCCCCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210326 [0,1,0,0,0,0|1,0,2]=4 960 B16R1.51 CCCCCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210326 [0,1,0,0,0,0|1,0,2]=4 961 B16R1.51 CCCCCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210326 [0,1,0,0,0,0|1,0,2]=4 962 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210326 [0,1,0,0,0,0|1,0,0]=2 963 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215151 [0,1,0,0,0,0|1,0,0]=2 964 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210326 [0,1,0,0,0,0|1,0,0]=2 965 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210326 [0,1,0,0,0,0|1,0,0]=2 966 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210326 [0,1,0,0,0,0|1,0,0]=2 967 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215151 [0,1,0,0,0,0|1,0,0]=2 968 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210326 [0,1,0,0,0,0|1,0,0]=2 969 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215151 [0,1,0,0,0,0|1,0,0]=2 970 B16R1.51 CCCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011215151 [0,1,0,0,0,0|2,0,0]=3 971 B16R1.51 CCCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210326 [0,1,0,0,0,0|2,0,0]=3 972 B16R1.51 CCCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011215151 [0,1,0,0,0,0|2,0,0]=3 973 B16R1.51 CCCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210326 [0,1,0,0,0,0|2,0,0]=3 974 B16R1.51 CCCCCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100011215151 [0,1,0,0,0,0|3,0,0]=4 975 B16R1.51 CCCCCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100011215151 [0,1,0,0,0,0|3,0,0]=4 976 B16R1.51 CCCCCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100011215151 [0,1,0,0,0,0|3,0,0]=4 977 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)Br 1458a_100000212188_100011740612 [0,1,0,0,0,0|1,0,2]=4 978 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210326 [0,1,0,0,0,0|1,0,2]=4 979 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)C 1458a_100000212188_100011713686 [0,1,0,0,0,0|1,0,2]=4 980 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210326 [0,1,0,0,0,0|1,0,2]=4 981 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)Cl 1458a_100000212188_100011713675 [0,1,0,0,0,0|1,0,2]=4 982 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210326 [0,1,0,0,0,0|1,0,2]=4 983 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210326 [0,1,0,0,0,0|1,0,2]=4 984 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)F 1458a_100000212188_100011217392 [0,1,0,0,0,0|1,0,2]=4 985 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210326 [0,1,0,0,0,0|1,0,2]=4 986 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)O 1458a_100000212188_100009816426 [0,1,0,0,0,0|1,0,2]=4 987 B16R1.51 CCCCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210326 [0,1,0,0,0,0|1,0,2]=4 988 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)Br 2230a_100000210018_200012276598 [0,1,0,0,0,0|2,0,1]=4 989 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)Br 34a_100000210018_200012276598 [0,1,0,0,0,0|2,0,1]=4 990 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)C 34a_100000124888_200012276598 [0,1,0,0,0,0|2,0,1]=4 991 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_200012276598 [0,1,0,0,0,0|2,0,1]=4 992 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)Cl 34a_100000210052_200012276598 [0,1,0,0,0,0|2,0,1]=4 993 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)F 34a_100000185862_200012276598 [0,1,0,0,0,0|2,0,1]=4 994 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)I 34a_100000185761_200012276598 [0,1,0,0,0,0|2,0,1]=4 995 B16R1.51 CCCCCC(=O)CNc1ccc(cc1)O 34a_100000185829_200012276598 [0,1,0,0,0,0|2,0,1]=4 996 B16R1.51 CCCCCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210326 [0,1,0,0,0,0|2,0,1]=4 997 B16R1.51 CCCCCC(=O)COc1ccc(cc1)Br 34a_100000185759_200012276598 [0,1,0,0,0,0|2,0,1]=4 998 B16R1.51 CCCCCC(=O)COc1ccc(cc1)Br 7a_100000185759_200012276598 [0,1,0,0,0,0|2,0,1]=4 999 B16R1.51 CCCCCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210326 [0,1,0,0,0,0|2,0,1]=4 1000 B16R1.51 CCCCCC(=O)COc1ccc(cc1)C 34a_100000210336_200012276598 [0,1,0,0,0,0|2,0,1]=4 1001 B16R1.51 CCCCCC(=O)COc1ccc(cc1)C 7a_100000210336_200012276598 [0,1,0,0,0,0|2,0,1]=4 1002 B16R1.51 CCCCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210326 [0,1,0,0,0,0|2,0,1]=4 1003 B16R1.51 CCCCCC(=O)COc1ccc(cc1)Cl 34a_100000210216_200012276598 [0,1,0,0,0,0|2,0,1]=4 1004 B16R1.51 CCCCCC(=O)COc1ccc(cc1)Cl 7a_100000210216_200012276598 [0,1,0,0,0,0|2,0,1]=4 1005 B16R1.51 CCCCCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210326 [0,1,0,0,0,0|2,0,1]=4 1006 B16R1.51 CCCCCC(=O)COc1ccc(cc1)F 34a_100000210339_200012276598 [0,1,0,0,0,0|2,0,1]=4 1007 B16R1.51 CCCCCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210326 [0,1,0,0,0,0|2,0,1]=4 1008 B16R1.51 CCCCCC(=O)COc1ccc(cc1)I 34a_100000212066_200012276598 [0,1,0,0,0,0|2,0,1]=4 1009 B16R1.51 CCCCCC(=O)COc1ccc(cc1)I 7a_100000212066_200012276598 [0,1,0,0,0,0|2,0,1]=4 1010 B16R1.51 CCCCCC(=O)COc1ccc(cc1)N 34a_100000185829_200012276598 [0,1,0,0,0,0|2,0,1]=4 1011 B16R1.51 CCCCCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210326 [0,1,0,0,0,0|2,0,1]=4 1012 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210326 [0,1,0,0,0,0|2,0,1]=4 1013 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)Br 62a_100000752885_200012276598 [0,1,0,0,0,0|2,0,1]=4 1014 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)Br 62a_200012276598_100000752885 [0,1,0,0,0,0|2,0,1]=4 1015 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210326 [0,1,0,0,0,0|2,0,1]=4 1016 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)C 62a_100000186775_200012276598 [0,1,0,0,0,0|2,0,1]=4 1017 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)C 62a_200012276598_100000186775 [0,1,0,0,0,0|2,0,1]=4 1018 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210326 [0,1,0,0,0,0|2,0,1]=4 1019 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_200012276598 [0,1,0,0,0,0|2,0,1]=4 1020 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)Cl 62a_200012276598_100000755918 [0,1,0,0,0,0|2,0,1]=4 1021 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210326 [0,1,0,0,0,0|2,0,1]=4 1022 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)F 62a_100000211213_200012276598 [0,1,0,0,0,0|2,0,1]=4 1023 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)F 62a_200012276598_100000211213 [0,1,0,0,0,0|2,0,1]=4 1024 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)N 62a_100000185761_200012276598 [0,1,0,0,0,0|2,0,1]=4 1025 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)N 62a_200012276598_100000185761 [0,1,0,0,0,0|2,0,1]=4 1026 B16R1.51 CCCCCC(=O)CSc1ccc(cc1)O 62a_200012276598_100000185759 [0,1,0,0,0,0|2,0,1]=4 1027 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000212188 [0,1,0,0,0,0|2,0,1]=4 1028 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000212188 [0,1,0,0,0,0|2,0,1]=4 1029 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000212188 [0,1,0,0,0,0|2,0,1]=4 1030 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000212188 [0,1,0,0,0,0|2,0,1]=4 1031 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000212188 [0,1,0,0,0,0|2,0,1]=4 1032 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000212188 [0,1,0,0,0,0|2,0,1]=4 1033 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000212188 [0,1,0,0,0,0|2,0,1]=4 1034 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000212188 [0,1,0,0,0,0|2,0,1]=4 1035 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000212188 [0,1,0,0,0,0|2,0,1]=4 1036 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000212188 [0,1,0,0,0,0|2,0,1]=4 1037 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000212188 [0,1,0,0,0,0|2,0,1]=4 1038 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000212188 [0,1,0,0,0,0|2,0,1]=4 1039 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000212188 [0,1,0,0,0,0|2,0,1]=4 1040 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000212188 [0,1,0,0,0,0|2,0,1]=4 1041 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000212188 [0,1,0,0,0,0|2,0,1]=4 1042 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000212188 [0,1,0,0,0,0|2,0,1]=4 1043 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000212188 [0,1,0,0,0,0|2,0,1]=4 1044 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000212188 [0,1,0,0,0,0|2,0,1]=4 1045 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000212188 [0,1,0,0,0,0|2,0,1]=4 1046 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000212188 [0,1,0,0,0,0|2,0,1]=4 1047 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000212188 [0,1,0,0,0,0|2,0,1]=4 1048 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000212188 [0,1,0,0,0,0|2,0,1]=4 1049 B16R1.51 CCCCCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000212188 [0,1,0,0,0,0|3,0,0]=4 1050 B16R1.51 CCCCCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000212188 [0,1,0,0,0,0|3,0,0]=4 1051 B16R1.51 CCCCCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000212188 [0,1,0,0,0,0|3,0,0]=4 1052 B16R1.51 CCCCCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000212188 [0,1,0,0,0,0|3,0,0]=4 1053 B16R1.51 CCCCCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000212188 [0,1,0,0,0,0|3,0,0]=4 1054 B16R1.51 CCCCNC(=O)C#Cc1ccc(cc1)Cl 240690a_100000102301_100011892723 [0,1,0,0,0,0|1,0,2]=4 1055 B16R1.51 CCCCNC(=O)C#Cc1ccc(cc1)F 240690a_100000102301_100000238512 [0,1,0,0,0,0|1,0,2]=4 1056 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000102301_100016267368 [0,1,0,0,0,0|1,0,0]=2 1057 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000102301_100016267368 [0,1,0,0,0,0|1,0,0]=2 1058 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000102301_100000716854 [0,1,0,0,0,0|1,0,0]=2 1059 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000102301_100000716854 [0,1,0,0,0,0|1,0,0]=2 1060 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000102301_100000716854 [0,1,0,0,0,0|1,0,0]=2 1061 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000102301_100000184863 [0,1,0,0,0,0|1,0,0]=2 1062 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000102301_100000184863 [0,1,0,0,0,0|1,0,0]=2 1063 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000102301_100000184863 [0,1,0,0,0,0|1,0,0]=2 1064 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000102301_100000182136 [0,1,0,0,0,0|1,0,0]=2 1065 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000102301_100000182136 [0,1,0,0,0,0|1,0,0]=2 1066 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000102301_100000182136 [0,1,0,0,0,0|1,0,0]=2 1067 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000102301_100102526154 [0,1,0,0,0,0|1,0,0]=2 1068 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000102301_100102526154 [0,1,0,0,0,0|1,0,0]=2 1069 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000102301_100102526154 [0,1,0,0,0,0|1,0,0]=2 1070 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000102301_100016269017 [0,1,0,0,0,0|1,0,0]=2 1071 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 11a_100000102301_100020630499 [0,1,0,0,0,0|2,0,0]=3 1072 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000102301_100020630499 [0,1,0,0,0,0|2,0,0]=3 1073 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000102301_100020630499 [0,1,0,0,0,0|2,0,0]=3 1074 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000102301_100020588214 [0,1,0,0,0,0|2,0,0]=3 1075 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000102301_100020588214 [0,1,0,0,0,0|2,0,0]=3 1076 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000102301_100020588214 [0,1,0,0,0,0|2,0,0]=3 1077 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Br 11a_100000102301_100000217147 [0,1,0,0,0,0|1,0,2]=4 1078 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Br 1626a_100000102301_100000217147 [0,1,0,0,0,0|1,0,2]=4 1079 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Br 240690a_100000102301_100000217147 [0,1,0,0,0,0|1,0,2]=4 1080 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Br 527a_100000102301_100000217147 [0,1,0,0,0,0|1,0,2]=4 1081 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)C 11a_100000102301_100000234883 [0,1,0,0,0,0|1,0,2]=4 1082 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)C 1626a_100000102301_100000234883 [0,1,0,0,0,0|1,0,2]=4 1083 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)C 240690a_100000102301_100000234883 [0,1,0,0,0,0|1,0,2]=4 1084 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)C 527a_100000102301_100000234883 [0,1,0,0,0,0|1,0,2]=4 1085 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Cl 11a_100000102301_100000235379 [0,1,0,0,0,0|1,0,2]=4 1086 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Cl 1626a_100000102301_100000235379 [0,1,0,0,0,0|1,0,2]=4 1087 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Cl 240690a_100000102301_100000235379 [0,1,0,0,0,0|1,0,2]=4 1088 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Cl 527a_100000102301_100000235379 [0,1,0,0,0,0|1,0,2]=4 1089 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)F 11a_100000102301_100000198493 [0,1,0,0,0,0|1,0,2]=4 1090 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)F 1626a_100000102301_100000198493 [0,1,0,0,0,0|1,0,2]=4 1091 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)F 240690a_100000102301_100000198493 [0,1,0,0,0,0|1,0,2]=4 1092 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)F 527a_100000102301_100000198493 [0,1,0,0,0,0|1,0,2]=4 1093 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)I 11a_100000102301_100011217499 [0,1,0,0,0,0|1,0,2]=4 1094 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)I 1626a_100000102301_100011217499 [0,1,0,0,0,0|1,0,2]=4 1095 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)I 240690a_100000102301_100011217499 [0,1,0,0,0,0|1,0,2]=4 1096 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)I 527a_100000102301_100011217499 [0,1,0,0,0,0|1,0,2]=4 1097 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)O 240690a_100000102301_100000742835 [0,1,0,0,0,0|1,0,2]=4 1098 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000182744 [0,1,0,0,0,0|2,0,1]=4 1099 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000182744 [0,1,0,0,0,0|2,0,1]=4 1100 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000182744 [0,1,0,0,0,0|2,0,1]=4 1101 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000182744 [0,1,0,0,0,0|2,0,1]=4 1102 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000182744 [0,1,0,0,0,0|2,0,1]=4 1103 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000182744 [0,1,0,0,0,0|2,0,1]=4 1104 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000182744 [0,1,0,0,0,0|2,0,1]=4 1105 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000182744 [0,1,0,0,0,0|2,0,1]=4 1106 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Br 11a_100000102301_100000182358 [0,1,0,0,0,0|2,0,1]=4 1107 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Br 1626a_100000102301_100000182358 [0,1,0,0,0,0|2,0,1]=4 1108 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Br 240690a_100000102301_100000182358 [0,1,0,0,0,0|2,0,1]=4 1109 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000182744 [0,1,0,0,0,0|2,0,1]=4 1110 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Br 527a_100000102301_100000182358 [0,1,0,0,0,0|2,0,1]=4 1111 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000182744 [0,1,0,0,0,0|2,0,1]=4 1112 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C 11a_100000102301_100000182360 [0,1,0,0,0,0|2,0,1]=4 1113 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C 1626a_100000102301_100000182360 [0,1,0,0,0,0|2,0,1]=4 1114 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C 240690a_100000102301_100000182360 [0,1,0,0,0,0|2,0,1]=4 1115 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C 34a_100000210336_100000182744 [0,1,0,0,0,0|2,0,1]=4 1116 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C 527a_100000102301_100000182360 [0,1,0,0,0,0|2,0,1]=4 1117 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C 7a_100000210336_100000182744 [0,1,0,0,0,0|2,0,1]=4 1118 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Cl 11a_100000102301_100016990877 [0,1,0,0,0,0|2,0,1]=4 1119 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Cl 1626a_100000102301_100016990877 [0,1,0,0,0,0|2,0,1]=4 1120 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Cl 240690a_100000102301_100016990877 [0,1,0,0,0,0|2,0,1]=4 1121 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000182744 [0,1,0,0,0,0|2,0,1]=4 1122 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Cl 527a_100000102301_100016990877 [0,1,0,0,0,0|2,0,1]=4 1123 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000182744 [0,1,0,0,0,0|2,0,1]=4 1124 B16R1.51 CCCCNC(=O)COc1ccc(cc1)F 11a_100000102301_100000184765 [0,1,0,0,0,0|2,0,1]=4 1125 B16R1.51 CCCCNC(=O)COc1ccc(cc1)F 1626a_100000102301_100000184765 [0,1,0,0,0,0|2,0,1]=4 1126 B16R1.51 CCCCNC(=O)COc1ccc(cc1)F 240690a_100000102301_100000184765 [0,1,0,0,0,0|2,0,1]=4 1127 B16R1.51 CCCCNC(=O)COc1ccc(cc1)F 34a_100000210339_100000182744 [0,1,0,0,0,0|2,0,1]=4 1128 B16R1.51 CCCCNC(=O)COc1ccc(cc1)F 527a_100000102301_100000184765 [0,1,0,0,0,0|2,0,1]=4 1129 B16R1.51 CCCCNC(=O)COc1ccc(cc1)I 11a_100000102301_100000184369 [0,1,0,0,0,0|2,0,1]=4 1130 B16R1.51 CCCCNC(=O)COc1ccc(cc1)I 1626a_100000102301_100000184369 [0,1,0,0,0,0|2,0,1]=4 1131 B16R1.51 CCCCNC(=O)COc1ccc(cc1)I 240690a_100000102301_100000184369 [0,1,0,0,0,0|2,0,1]=4 1132 B16R1.51 CCCCNC(=O)COc1ccc(cc1)I 34a_100000212066_100000182744 [0,1,0,0,0,0|2,0,1]=4 1133 B16R1.51 CCCCNC(=O)COc1ccc(cc1)I 527a_100000102301_100000184369 [0,1,0,0,0,0|2,0,1]=4 1134 B16R1.51 CCCCNC(=O)COc1ccc(cc1)I 7a_100000212066_100000182744 [0,1,0,0,0,0|2,0,1]=4 1135 B16R1.51 CCCCNC(=O)COc1ccc(cc1)N 34a_100000185829_100000182744 [0,1,0,0,0,0|2,0,1]=4 1136 B16R1.51 CCCCNC(=O)COc1ccc(cc1)O 240690a_100000102301_100000031633 [0,1,0,0,0,0|2,0,1]=4 1137 B16R1.51 CCCCNC(=O)COc1ccc(cc1)O 527a_100000102301_100000031633 [0,1,0,0,0,0|2,0,1]=4 1138 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Br 11a_100000102301_100000179496 [0,1,0,0,0,0|2,0,1]=4 1139 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Br 1626a_100000102301_100000179496 [0,1,0,0,0,0|2,0,1]=4 1140 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Br 240690a_100000102301_100000179496 [0,1,0,0,0,0|2,0,1]=4 1141 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Br 527a_100000102301_100000179496 [0,1,0,0,0,0|2,0,1]=4 1142 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Br 62a_100000182744_100000752885 [0,1,0,0,0,0|2,0,1]=4 1143 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000182744 [0,1,0,0,0,0|2,0,1]=4 1144 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C 11a_100000102301_100000179497 [0,1,0,0,0,0|2,0,1]=4 1145 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C 1626a_100000102301_100000179497 [0,1,0,0,0,0|2,0,1]=4 1146 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C 240690a_100000102301_100000179497 [0,1,0,0,0,0|2,0,1]=4 1147 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C 527a_100000102301_100000179497 [0,1,0,0,0,0|2,0,1]=4 1148 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C 62a_100000182744_100000186775 [0,1,0,0,0,0|2,0,1]=4 1149 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000182744 [0,1,0,0,0,0|2,0,1]=4 1150 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Cl 11a_100000102301_100000178402 [0,1,0,0,0,0|2,0,1]=4 1151 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Cl 1626a_100000102301_100000178402 [0,1,0,0,0,0|2,0,1]=4 1152 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Cl 240690a_100000102301_100000178402 [0,1,0,0,0,0|2,0,1]=4 1153 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Cl 527a_100000102301_100000178402 [0,1,0,0,0,0|2,0,1]=4 1154 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Cl 62a_100000182744_100000755918 [0,1,0,0,0,0|2,0,1]=4 1155 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000182744 [0,1,0,0,0,0|2,0,1]=4 1156 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)F 11a_100000102301_100000691584 [0,1,0,0,0,0|2,0,1]=4 1157 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)F 1626a_100000102301_100000691584 [0,1,0,0,0,0|2,0,1]=4 1158 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)F 240690a_100000102301_100000691584 [0,1,0,0,0,0|2,0,1]=4 1159 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)F 527a_100000102301_100000691584 [0,1,0,0,0,0|2,0,1]=4 1160 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)F 62a_100000182744_100000211213 [0,1,0,0,0,0|2,0,1]=4 1161 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000182744 [0,1,0,0,0,0|2,0,1]=4 1162 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)N 62a_100000182744_100000185761 [0,1,0,0,0,0|2,0,1]=4 1163 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000182744 [0,1,0,0,0,0|2,0,1]=4 1164 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)O 62a_100000182744_100000185759 [0,1,0,0,0,0|2,0,1]=4 1165 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Br 2708a_100000102301_100000174875 [0,1,0,0,0,0|2,0,1]=4 1166 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000102301 [0,1,0,0,0,0|2,0,1]=4 1167 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Br 273464a_100000102301_100000174875 [0,1,0,0,0,0|2,0,1]=4 1168 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000102301 [0,1,0,0,0,0|2,0,1]=4 1169 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Br 512a_100000102301_100000174875 [0,1,0,0,0,0|2,0,1]=4 1170 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100000102301 [0,1,0,0,0,0|2,0,1]=4 1171 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C 2708a_100000102301_100000174908 [0,1,0,0,0,0|2,0,1]=4 1172 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C 2708a_100000174908_100000102301 [0,1,0,0,0,0|2,0,1]=4 1173 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C 273464a_100000102301_100000174908 [0,1,0,0,0,0|2,0,1]=4 1174 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100000102301 [0,1,0,0,0,0|2,0,1]=4 1175 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C 512a_100000102301_100000174908 [0,1,0,0,0,0|2,0,1]=4 1176 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)C 512a_100000174908_100000102301 [0,1,0,0,0,0|2,0,1]=4 1177 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Cl 2708a_100000102301_100000174871 [0,1,0,0,0,0|2,0,1]=4 1178 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000102301 [0,1,0,0,0,0|2,0,1]=4 1179 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Cl 273464a_100000102301_100000174871 [0,1,0,0,0,0|2,0,1]=4 1180 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000102301 [0,1,0,0,0,0|2,0,1]=4 1181 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Cl 512a_100000102301_100000174871 [0,1,0,0,0,0|2,0,1]=4 1182 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)F 2708a_100000102301_100000174882 [0,1,0,0,0,0|2,0,1]=4 1183 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100000102301 [0,1,0,0,0,0|2,0,1]=4 1184 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)F 273464a_100000102301_100000174882 [0,1,0,0,0,0|2,0,1]=4 1185 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100000102301 [0,1,0,0,0,0|2,0,1]=4 1186 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)F 512a_100000102301_100000174882 [0,1,0,0,0,0|2,0,1]=4 1187 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)F 512a_100000174882_100000102301 [0,1,0,0,0,0|2,0,1]=4 1188 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)I 2708a_100000102301_100016989417 [0,1,0,0,0,0|2,0,1]=4 1189 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100000102301 [0,1,0,0,0,0|2,0,1]=4 1190 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)I 273464a_100000102301_100016989417 [0,1,0,0,0,0|2,0,1]=4 1191 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100000102301 [0,1,0,0,0,0|2,0,1]=4 1192 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)I 512a_100000102301_100016989417 [0,1,0,0,0,0|2,0,1]=4 1193 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)I 512a_100016989417_100000102301 [0,1,0,0,0,0|2,0,1]=4 1194 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)O 2708a_100000102301_100000185549 [0,1,0,0,0,0|2,0,1]=4 1195 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100000102301 [0,1,0,0,0,0|2,0,1]=4 1196 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)O 273464a_100000102301_100000185549 [0,1,0,0,0,0|2,0,1]=4 1197 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100000102301 [0,1,0,0,0,0|2,0,1]=4 1198 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)O 512a_100000102301_100000185549 [0,1,0,0,0,0|2,0,1]=4 1199 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)Br 273464a_100000102301_100000735608 [0,1,0,0,0,0|3,0,0]=4 1200 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)Br 512a_100000102301_100000735608 [0,1,0,0,0,0|3,0,0]=4 1201 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)C 273464a_100000102301_100000683527 [0,1,0,0,0,0|3,0,0]=4 1202 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)C 512a_100000102301_100000683527 [0,1,0,0,0,0|3,0,0]=4 1203 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)Cl 273464a_100000102301_100000683521 [0,1,0,0,0,0|3,0,0]=4 1204 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)Cl 512a_100000102301_100000683521 [0,1,0,0,0,0|3,0,0]=4 1205 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)F 273464a_100000102301_100000728448 [0,1,0,0,0,0|3,0,0]=4 1206 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)F 512a_100000102301_100000728448 [0,1,0,0,0,0|3,0,0]=4 1207 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)I 273464a_100000102301_100016988836 [0,1,0,0,0,0|3,0,0]=4 1208 B16R1.51 CCCCNC(=O)NNc1ccc(cc1)I 512a_100000102301_100016988836 [0,1,0,0,0,0|3,0,0]=4 1209 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000211628 [0,1,0,0,0,0|1,0,1]=3 1210 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000211628 [0,1,0,0,0,0|1,0,1]=3 1211 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)C 34a_100000124888_100000211628 [0,1,0,0,0,0|1,0,1]=3 1212 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000211628 [0,1,0,0,0,0|1,0,1]=3 1213 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000211628 [0,1,0,0,0,0|1,0,1]=3 1214 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)F 34a_100000185862_100000211628 [0,1,0,0,0,0|1,0,1]=3 1215 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)I 34a_100000185761_100000211628 [0,1,0,0,0,0|1,0,1]=3 1216 B16R1.51 CCCCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000211628 [0,1,0,0,0,0|1,0,1]=3 1217 B16R1.51 CCCCOC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000211628 [0,1,0,0,0,0|2,0,1]=4 1218 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Br 34a_100000185759_100000211628 [0,1,0,0,0,0|1,0,1]=3 1219 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Br 7a_100000185759_100000211628 [0,1,0,0,0,0|1,0,1]=3 1220 B16R1.51 CCCCOC(=O)COc1ccc(cc1)C 34a_100000210336_100000211628 [0,1,0,0,0,0|1,0,1]=3 1221 B16R1.51 CCCCOC(=O)COc1ccc(cc1)C 7a_100000210336_100000211628 [0,1,0,0,0,0|1,0,1]=3 1222 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000211628 [0,1,0,0,0,0|1,0,1]=3 1223 B16R1.51 CCCCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000211628 [0,1,0,0,0,0|1,0,1]=3 1224 B16R1.51 CCCCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000211628 [0,1,0,0,0,0|1,0,1]=3 1225 B16R1.51 CCCCOC(=O)COc1ccc(cc1)I 34a_100000212066_100000211628 [0,1,0,0,0,0|1,0,1]=3 1226 B16R1.51 CCCCOC(=O)COc1ccc(cc1)I 7a_100000212066_100000211628 [0,1,0,0,0,0|1,0,1]=3 1227 B16R1.51 CCCCOC(=O)COc1ccc(cc1)N 34a_100000185829_100000211628 [0,1,0,0,0,0|1,0,1]=3 1228 B16R1.51 CCCCOC(=O)COc1ccc(cn1)C 34a_100000759353_100000211628 [0,1,0,0,0,0|2,0,1]=4 1229 B16R1.51 CCCCOC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000211628 [0,1,0,0,0,0|2,0,1]=4 1230 B16R1.51 CCCCOC(=O)COc1ccc(cn1)F 34a_100000742473_100000211628 [0,1,0,0,0,0|2,0,1]=4 1231 B16R1.51 CCCCOC(=O)COc1ccc(cn1)N 34a_100000729260_100000211628 [0,1,0,0,0,0|2,0,1]=4 1232 B16R1.51 CCCCOC(=O)COc1ccc(nc1)Br 34a_100000685995_100000211628 [0,1,0,0,0,0|2,0,1]=4 1233 B16R1.51 CCCCOC(=O)COc1ccc(nc1)Br 7a_100000685995_100000211628 [0,1,0,0,0,0|2,0,1]=4 1234 B16R1.51 CCCCOC(=O)COc1ccc(nc1)C 34a_100000745506_100000211628 [0,1,0,0,0,0|2,0,1]=4 1235 B16R1.51 CCCCOC(=O)COc1ccc(nc1)C 7a_100000745506_100000211628 [0,1,0,0,0,0|2,0,1]=4 1236 B16R1.51 CCCCOC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000211628 [0,1,0,0,0,0|2,0,1]=4 1237 B16R1.51 CCCCOC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000211628 [0,1,0,0,0,0|2,0,1]=4 1238 B16R1.51 CCCCOC(=O)COc1ccc(nc1)F 34a_100000688820_100000211628 [0,1,0,0,0,0|2,0,1]=4 1239 B16R1.51 CCCCOC(=O)COc1ccc(nc1)F 7a_100000688820_100000211628 [0,1,0,0,0,0|2,0,1]=4 1240 B16R1.51 CCCCOC(=O)COc1ccc(nc1)I 34a_100000687607_100000211628 [0,1,0,0,0,0|2,0,1]=4 1241 B16R1.51 CCCCOC(=O)COc1ccc(nc1)I 7a_100000687607_100000211628 [0,1,0,0,0,0|2,0,1]=4 1242 B16R1.51 CCCCOC(=O)COc1ccc(nc1)N 34a_100015188713_100000211628 [0,1,0,0,0,0|2,0,1]=4 1243 B16R1.51 CCCCOC(=O)COc1ccc(nc1)N 7a_100015188713_100000211628 [0,1,0,0,0,0|2,0,1]=4 1244 B16R1.51 CCCCOC(=O)CSc1cc[n+](cc1)[O-] 62a_100000211628_100000039755 [0,1,0,0,0,0|2,0,1]=4 1245 B16R1.51 CCCCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000211628_100000212171 [0,1,0,0,0,0|2,0,1]=4 1246 B16R1.51 CCCCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000211628 [0,1,0,0,0,0|2,0,1]=4 1247 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Br 62a_100000211628_100000752885 [0,1,0,0,0,0|1,0,1]=3 1248 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000211628 [0,1,0,0,0,0|1,0,1]=3 1249 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)C 62a_100000186775_100000211628 [0,1,0,0,0,0|1,0,1]=3 1250 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)C 62a_100000211628_100000186775 [0,1,0,0,0,0|1,0,1]=3 1251 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Cl 62a_100000211628_100000755918 [0,1,0,0,0,0|1,0,1]=3 1252 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000211628 [0,1,0,0,0,0|1,0,1]=3 1253 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)F 62a_100000211213_100000211628 [0,1,0,0,0,0|1,0,1]=3 1254 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)F 62a_100000211628_100000211213 [0,1,0,0,0,0|1,0,1]=3 1255 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)N 62a_100000185761_100000211628 [0,1,0,0,0,0|1,0,1]=3 1256 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)N 62a_100000211628_100000185761 [0,1,0,0,0,0|1,0,1]=3 1257 B16R1.51 CCCCOC(=O)CSc1ccc(cc1)O 62a_100000211628_100000185759 [0,1,0,0,0,0|1,0,1]=3 1258 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)Br 62a_100000211628_100000686858 [0,1,0,0,0,0|2,0,1]=4 1259 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000211628 [0,1,0,0,0,0|2,0,1]=4 1260 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)C 62a_100000211628_100000754016 [0,1,0,0,0,0|2,0,1]=4 1261 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)C 62a_100011192072_100000211628 [0,1,0,0,0,0|2,0,1]=4 1262 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)Cl 62a_100000211628_100011356976 [0,1,0,0,0,0|2,0,1]=4 1263 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000211628 [0,1,0,0,0,0|2,0,1]=4 1264 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)F 62a_100000211628_100000744514 [0,1,0,0,0,0|2,0,1]=4 1265 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)F 62a_100000744514_100000211628 [0,1,0,0,0,0|2,0,1]=4 1266 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)N 62a_100000211628_100000737798 [0,1,0,0,0,0|2,0,1]=4 1267 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)N 62a_100000737798_100000211628 [0,1,0,0,0,0|2,0,1]=4 1268 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)O 62a_100000211628_100000744096 [0,1,0,0,0,0|2,0,1]=4 1269 B16R1.51 CCCCOC(=O)CSc1ccc(cn1)O 62a_100000685995_100000211628 [0,1,0,0,0,0|2,0,1]=4 1270 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)Br 62a_100000211628_100009814638 [0,1,0,0,0,0|2,0,1]=4 1271 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000211628 [0,1,0,0,0,0|2,0,1]=4 1272 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)C 62a_100000211628_100000751577 [0,1,0,0,0,0|2,0,1]=4 1273 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)C 62a_100000751577_100000211628 [0,1,0,0,0,0|2,0,1]=4 1274 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000211628 [0,1,0,0,0,0|2,0,1]=4 1275 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)Cl 62a_100000211628_100000034144 [0,1,0,0,0,0|2,0,1]=4 1276 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)F 62a_100000042367_100000211628 [0,1,0,0,0,0|2,0,1]=4 1277 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)F 62a_100000211628_100000042367 [0,1,0,0,0,0|2,0,1]=4 1278 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)N 62a_100000187370_100000211628 [0,1,0,0,0,0|2,0,1]=4 1279 B16R1.51 CCCCOC(=O)CSc1ccc(nc1)N 62a_100000211628_100000187370 [0,1,0,0,0,0|2,0,1]=4 1280 B16R1.51 CCCNN=C(C)C=Cc1ccc(cc1)Br 4a_100000740057_200016259395 [0,1,0,0,0,0|3,0,0]=4 1281 B16R1.51 CCCNN=C(C)C=Cc1ccc(cc1)Cl 4a_100000740057_100016256711 [0,1,0,0,0,0|3,0,0]=4 1282 B16R1.51 CCCNN=C(C)C=Cc1ccc(cc1)O 4a_100000740057_100000189429 [0,1,0,0,0,0|3,0,0]=4 1283 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000740057_100016267368 [0,1,0,0,0,0|2,0,0]=3 1284 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)C 22a_100000740057_100000716854 [0,1,0,0,0,0|2,0,0]=3 1285 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000740057_100000184863 [0,1,0,0,0,0|2,0,0]=3 1286 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)F 22a_100000740057_100000182136 [0,1,0,0,0,0|2,0,0]=3 1287 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)I 22a_100000740057_100102526154 [0,1,0,0,0,0|2,0,0]=3 1288 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)O 22a_100000740057_100016269017 [0,1,0,0,0,0|2,0,0]=3 1289 B16R1.51 CCCNNC(=O)C=Cc1ccc(cn1)F 22a_100000740057_100020630499 [0,1,0,0,0,0|3,0,0]=4 1290 B16R1.51 CCCNNC(=O)C=Cc1ccc(nc1)Br 22a_100000740057_100020588214 [0,1,0,0,0,0|3,0,0]=4 1291 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100010632825 [0,1,0,0,0,0|2,0,0]=3 1292 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100010632825 [0,1,0,0,0,0|2,0,0]=3 1293 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100010632825 [0,1,0,0,0,0|2,0,0]=3 1294 B16R1.51 CCCOCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100010632825 [0,1,0,0,0,0|3,0,0]=4 1295 B16R1.51 CCCOCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100010632825 [0,1,0,0,0,0|3,0,0]=4 1296 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011343953 [0,1,0,0,0,0|2,0,0]=3 1297 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011343953 [0,1,0,0,0,0|2,0,0]=3 1298 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011343953 [0,1,0,0,0,0|2,0,0]=3 1299 B16R1.51 CCCSCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011343953 [0,1,0,0,0,0|3,0,0]=4 1300 B16R1.51 CCCSCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011343953 [0,1,0,0,0,0|3,0,0]=4 1301 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215890 [0,1,0,0,0,0|2,0,0]=3 1302 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216536 [0,1,0,0,0,0|2,0,0]=3 1303 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011215890 [0,1,0,0,0,0|2,0,0]=3 1304 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215890 [0,1,0,0,0,0|2,0,0]=3 1305 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215890 [0,1,0,0,0,0|2,0,0]=3 1306 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216536 [0,1,0,0,0,0|2,0,0]=3 1307 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215890 [0,1,0,0,0,0|2,0,0]=3 1308 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216536 [0,1,0,0,0,0|2,0,0]=3 1309 B16R1.51 CCOCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_200011216536 [0,1,0,0,0,0|3,0,0]=4 1310 B16R1.51 CCOCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011215890 [0,1,0,0,0,0|3,0,0]=4 1311 B16R1.51 CCOCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_200011216536 [0,1,0,0,0,0|3,0,0]=4 1312 B16R1.51 CCOCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011215890 [0,1,0,0,0,0|3,0,0]=4 1313 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000757381 [0,1,0,0,0,0|2,0,0]=3 1314 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000757381 [0,1,0,0,0,0|2,0,0]=3 1315 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000757381 [0,1,0,0,0,0|2,0,0]=3 1316 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000757381 [0,1,0,0,0,0|2,0,0]=3 1317 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000757381 [0,1,0,0,0,0|2,0,0]=3 1318 B16R1.51 CCSCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000757381 [0,1,0,0,0,0|3,0,0]=4 1319 B16R1.51 CCSCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000757381 [0,1,0,0,0,0|3,0,0]=4 1320 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000740836 [0,1,0,0,0,0|2,0,0]=3 1321 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000740836 [0,1,0,0,0,0|2,0,0]=3 1322 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000740836 [0,1,0,0,0,0|2,0,0]=3 1323 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000740836 [0,1,0,0,0,0|2,0,0]=3 1324 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000740836 [0,1,0,0,0,0|2,0,0]=3 1325 B16R1.51 COCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000740836 [0,1,0,0,0,0|3,0,0]=4 1326 B16R1.51 COCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000740836 [0,1,0,0,0,0|3,0,0]=4 1327 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000209980_100016267368 [0,1,0,0,0,0|2,0,0]=3 1328 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000209980_100000716854 [0,1,0,0,0,0|2,0,0]=3 1329 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000209980_100000716854 [0,1,0,0,0,0|2,0,0]=3 1330 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000209980_100000184863 [0,1,0,0,0,0|2,0,0]=3 1331 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000209980_100000184863 [0,1,0,0,0,0|2,0,0]=3 1332 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000209980_100000182136 [0,1,0,0,0,0|2,0,0]=3 1333 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000209980_100000182136 [0,1,0,0,0,0|2,0,0]=3 1334 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000209980_100102526154 [0,1,0,0,0,0|2,0,0]=3 1335 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000209980_100102526154 [0,1,0,0,0,0|2,0,0]=3 1336 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000209980_100016269017 [0,1,0,0,0,0|2,0,0]=3 1337 B16R1.51 COCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000209980_100020630499 [0,1,0,0,0,0|3,0,0]=4 1338 B16R1.51 COCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000209980_100020630499 [0,1,0,0,0,0|3,0,0]=4 1339 B16R1.51 COCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000209980_100020588214 [0,1,0,0,0,0|3,0,0]=4 1340 B16R1.51 COCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000209980_100020588214 [0,1,0,0,0,0|3,0,0]=4 1341 B16R1.51 COCCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_200000040189 [0,1,0,0,0,0|2,0,1]=4 1342 B16R1.51 COCCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_200000040189 [0,1,0,0,0,0|2,0,1]=4 1343 B16R1.51 COCCOC(=O)CNc1ccc(cc1)C 34a_100000124888_200000040189 [0,1,0,0,0,0|2,0,1]=4 1344 B16R1.51 COCCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_200000040189 [0,1,0,0,0,0|2,0,1]=4 1345 B16R1.51 COCCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_200000040189 [0,1,0,0,0,0|2,0,1]=4 1346 B16R1.51 COCCOC(=O)CNc1ccc(cc1)F 34a_100000185862_200000040189 [0,1,0,0,0,0|2,0,1]=4 1347 B16R1.51 COCCOC(=O)CNc1ccc(cc1)I 34a_100000185761_200000040189 [0,1,0,0,0,0|2,0,1]=4 1348 B16R1.51 COCCOC(=O)CNc1ccc(cc1)O 34a_100000185829_200000040189 [0,1,0,0,0,0|2,0,1]=4 1349 B16R1.51 COCCOC(=O)COc1ccc(cc1)Br 34a_100000185759_200000040189 [0,1,0,0,0,0|2,0,1]=4 1350 B16R1.51 COCCOC(=O)COc1ccc(cc1)Br 7a_100000185759_200000040189 [0,1,0,0,0,0|2,0,1]=4 1351 B16R1.51 COCCOC(=O)COc1ccc(cc1)C 34a_100000210336_200000040189 [0,1,0,0,0,0|2,0,1]=4 1352 B16R1.51 COCCOC(=O)COc1ccc(cc1)C 7a_100000210336_200000040189 [0,1,0,0,0,0|2,0,1]=4 1353 B16R1.51 COCCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_200000040189 [0,1,0,0,0,0|2,0,1]=4 1354 B16R1.51 COCCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_200000040189 [0,1,0,0,0,0|2,0,1]=4 1355 B16R1.51 COCCOC(=O)COc1ccc(cc1)F 34a_100000210339_200000040189 [0,1,0,0,0,0|2,0,1]=4 1356 B16R1.51 COCCOC(=O)COc1ccc(cc1)I 34a_100000212066_200000040189 [0,1,0,0,0,0|2,0,1]=4 1357 B16R1.51 COCCOC(=O)COc1ccc(cc1)I 7a_100000212066_200000040189 [0,1,0,0,0,0|2,0,1]=4 1358 B16R1.51 COCCOC(=O)COc1ccc(cc1)N 34a_100000185829_200000040189 [0,1,0,0,0,0|2,0,1]=4 1359 B16R1.51 COCCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_200000040189 [0,1,0,0,0,0|2,0,1]=4 1360 B16R1.51 COCCOC(=O)CSc1ccc(cc1)Br 62a_200000040189_100000752885 [0,1,0,0,0,0|2,0,1]=4 1361 B16R1.51 COCCOC(=O)CSc1ccc(cc1)C 62a_100000186775_200000040189 [0,1,0,0,0,0|2,0,1]=4 1362 B16R1.51 COCCOC(=O)CSc1ccc(cc1)C 62a_200000040189_100000186775 [0,1,0,0,0,0|2,0,1]=4 1363 B16R1.51 COCCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_200000040189 [0,1,0,0,0,0|2,0,1]=4 1364 B16R1.51 COCCOC(=O)CSc1ccc(cc1)Cl 62a_200000040189_100000755918 [0,1,0,0,0,0|2,0,1]=4 1365 B16R1.51 COCCOC(=O)CSc1ccc(cc1)F 62a_100000211213_200000040189 [0,1,0,0,0,0|2,0,1]=4 1366 B16R1.51 COCCOC(=O)CSc1ccc(cc1)F 62a_200000040189_100000211213 [0,1,0,0,0,0|2,0,1]=4 1367 B16R1.51 COCCOC(=O)CSc1ccc(cc1)N 62a_100000185761_200000040189 [0,1,0,0,0,0|2,0,1]=4 1368 B16R1.51 COCCOC(=O)CSc1ccc(cc1)N 62a_200000040189_100000185761 [0,1,0,0,0,0|2,0,1]=4 1369 B16R1.51 COCCOC(=O)CSc1ccc(cc1)O 62a_200000040189_100000185759 [0,1,0,0,0,0|2,0,1]=4 1370 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011399439 [0,1,0,0,0,0|2,0,0]=3 1371 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011399439 [0,1,0,0,0,0|2,0,0]=3 1372 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011399439 [0,1,0,0,0,0|2,0,0]=3 1373 B16R1.51 CSCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011399439 [0,1,0,0,0,0|3,0,0]=4 1374 B16R1.51 CSCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011399439 [0,1,0,0,0,0|3,0,0]=4 1375 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020590264_100016267368 [0,1,0,0,0,0|2,0,0]=3 1376 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020590264_100016267368 [0,1,0,0,0,0|2,0,0]=3 1377 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 11a_100020590264_100000716854 [0,1,0,0,0,0|2,0,0]=3 1378 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020590264_100000716854 [0,1,0,0,0,0|2,0,0]=3 1379 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020590264_100000716854 [0,1,0,0,0,0|2,0,0]=3 1380 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020590264_100000184863 [0,1,0,0,0,0|2,0,0]=3 1381 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020590264_100000184863 [0,1,0,0,0,0|2,0,0]=3 1382 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020590264_100000184863 [0,1,0,0,0,0|2,0,0]=3 1383 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 11a_100020590264_100000182136 [0,1,0,0,0,0|2,0,0]=3 1384 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020590264_100000182136 [0,1,0,0,0,0|2,0,0]=3 1385 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020590264_100000182136 [0,1,0,0,0,0|2,0,0]=3 1386 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 11a_100020590264_100102526154 [0,1,0,0,0,0|2,0,0]=3 1387 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020590264_100102526154 [0,1,0,0,0,0|2,0,0]=3 1388 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020590264_100102526154 [0,1,0,0,0,0|2,0,0]=3 1389 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020590264_100016269017 [0,1,0,0,0,0|2,0,0]=3 1390 B16R1.51 CSCCNC(=O)C=Cc1ccc(cn1)F 11a_100020590264_100020630499 [0,1,0,0,0,0|3,0,0]=4 1391 B16R1.51 CSCCNC(=O)C=Cc1ccc(cn1)F 1626a_100020590264_100020630499 [0,1,0,0,0,0|3,0,0]=4 1392 B16R1.51 CSCCNC(=O)C=Cc1ccc(cn1)F 240690a_100020590264_100020630499 [0,1,0,0,0,0|3,0,0]=4 1393 B16R1.51 CSCCNC(=O)C=Cc1ccc(nc1)Br 11a_100020590264_100020588214 [0,1,0,0,0,0|3,0,0]=4 1394 B16R1.51 CSCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020590264_100020588214 [0,1,0,0,0,0|3,0,0]=4 1395 B16R1.51 CSCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020590264_100020588214 [0,1,0,0,0,0|3,0,0]=4 1396 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCC#N 1458a_100000716854_100000211468 [0,1,0,0,0,0|2,0,1]=4 1397 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCCF 1458a_100000716854_100000729493 [0,1,0,0,0,0|2,0,0]=3 1398 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCCO 1458a_100000716854_100000210776 [0,1,0,0,0,0|2,0,0]=3 1399 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N 11a_100000720768_100000716854 [0,1,0,0,0,0|2,0,1]=4 1400 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N 1626a_100000720768_100000716854 [0,1,0,0,0,0|2,0,1]=4 1401 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N 240690a_100000720768_100000716854 [0,1,0,0,0,0|2,0,1]=4 1402 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 11a_100015189416_100000716854 [0,1,0,0,0,0|2,0,0]=3 1403 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 1626a_100015189416_100000716854 [0,1,0,0,0,0|2,0,0]=3 1404 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 240690a_100015189416_100000716854 [0,1,0,0,0,0|2,0,0]=3 1405 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO 240690a_100000182051_100000716854 [0,1,0,0,0,0|2,0,0]=3 1406 B16R1.51 Cc1ccc(cc1)C=CC(=O)NNCCO 22a_100000210001_100000716854 [0,1,0,0,0,0|3,0,0]=4 1407 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000211468 [0,1,0,0,0,0|2,0,1]=4 1408 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000211468 [0,1,0,0,0,0|2,0,1]=4 1409 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000211468 [0,1,0,0,0,0|2,0,1]=4 1410 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000211468 [0,1,0,0,0,0|2,0,1]=4 1411 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000720768_100016267368 [0,1,0,0,0,0|2,0,1]=4 1412 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000720768_100016267368 [0,1,0,0,0,0|2,0,1]=4 1413 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000720768_100000184863 [0,1,0,0,0,0|2,0,1]=4 1414 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000720768_100000184863 [0,1,0,0,0,0|2,0,1]=4 1415 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000720768_100000184863 [0,1,0,0,0,0|2,0,1]=4 1416 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F 11a_100000720768_100000182136 [0,1,0,0,0,0|2,0,1]=4 1417 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000720768_100000182136 [0,1,0,0,0,0|2,0,1]=4 1418 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000720768_100000182136 [0,1,0,0,0,0|2,0,1]=4 1419 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)I 11a_100000720768_100102526154 [0,1,0,0,0,0|2,0,1]=4 1420 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000720768_100102526154 [0,1,0,0,0,0|2,0,1]=4 1421 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000720768_100102526154 [0,1,0,0,0,0|2,0,1]=4 1422 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000720768_100016269017 [0,1,0,0,0,0|2,0,1]=4 1423 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCBr 6a_100000186029_100009817362 [0,1,0,0,0,0|2,0,0]=3 1424 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCCl 6a_100000186029_100000735457 [0,1,0,0,0,0|2,0,0]=3 1425 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCF 1458a_100016267368_100000729493 [0,1,0,0,0,0|2,0,0]=3 1426 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCO 1458a_100016267368_100000210776 [0,1,0,0,0,0|2,0,0]=3 1427 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCF 11a_100015189416_100016267368 [0,1,0,0,0,0|2,0,0]=3 1428 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCF 1626a_100015189416_100016267368 [0,1,0,0,0,0|2,0,0]=3 1429 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NNCCO 22a_100000210001_100016267368 [0,1,0,0,0,0|3,0,0]=4 1430 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)CCCCF 1458a_100000184863_100000729493 [0,1,0,0,0,0|2,0,0]=3 1431 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)CCCCO 1458a_100000184863_100000210776 [0,1,0,0,0,0|2,0,0]=3 1432 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 11a_100015189416_100000184863 [0,1,0,0,0,0|2,0,0]=3 1433 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 1626a_100015189416_100000184863 [0,1,0,0,0,0|2,0,0]=3 1434 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 240690a_100015189416_100000184863 [0,1,0,0,0,0|2,0,0]=3 1435 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100000184863 [0,1,0,0,0,0|2,0,0]=3 1436 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NNCCO 22a_100000210001_100000184863 [0,1,0,0,0,0|3,0,0]=4 1437 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCBr 6a_100000210084_100009817362 [0,1,0,0,0,0|2,0,0]=3 1438 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCCl 6a_100000210084_100000735457 [0,1,0,0,0,0|2,0,0]=3 1439 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCF 1458a_100000182136_100000729493 [0,1,0,0,0,0|2,0,0]=3 1440 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCO 1458a_100000182136_100000210776 [0,1,0,0,0,0|2,0,0]=3 1441 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 11a_100015189416_100000182136 [0,1,0,0,0,0|2,0,0]=3 1442 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 1626a_100015189416_100000182136 [0,1,0,0,0,0|2,0,0]=3 1443 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 240690a_100015189416_100000182136 [0,1,0,0,0,0|2,0,0]=3 1444 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO 240690a_100000182051_100000182136 [0,1,0,0,0,0|2,0,0]=3 1445 B16R1.51 O=C(C=Cc1ccc(cc1)F)NNCCO 22a_100000210001_100000182136 [0,1,0,0,0,0|3,0,0]=4 1446 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCBr 6a_100000188517_100009817362 [0,1,0,0,0,0|2,0,0]=3 1447 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCCl 6a_100000188517_100000735457 [0,1,0,0,0,0|2,0,0]=3 1448 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCF 1458a_100102526154_100000729493 [0,1,0,0,0,0|2,0,0]=3 1449 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCO 1458a_100102526154_100000210776 [0,1,0,0,0,0|2,0,0]=3 1450 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 11a_100015189416_100102526154 [0,1,0,0,0,0|2,0,0]=3 1451 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 1626a_100015189416_100102526154 [0,1,0,0,0,0|2,0,0]=3 1452 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 240690a_100015189416_100102526154 [0,1,0,0,0,0|2,0,0]=3 1453 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCO 240690a_100000182051_100102526154 [0,1,0,0,0,0|2,0,0]=3 1454 B16R1.51 O=C(C=Cc1ccc(cc1)I)NNCCO 22a_100000210001_100102526154 [0,1,0,0,0,0|3,0,0]=4 1455 B16R1.51 O=C(C=Cc1ccc(cc1)O)NCCCF 240690a_100015189416_100016269017 [0,1,0,0,0,0|2,0,0]=3 1456 B16R1.51 O=C(C=Cc1ccc(cc1)O)NCCCO 240690a_100000182051_100016269017 [0,1,0,0,0,0|2,0,0]=3 1457 B16R1.51 O=C(C=Cc1ccc(cc1)O)NNCCO 22a_100000210001_100016269017 [0,1,0,0,0,0|3,0,0]=4 1458 B16R1.51 O=C(C=Cc1ccc(cn1)Br)CCCCBr 6a_100000754260_100009817362 [0,1,0,0,0,0|3,0,0]=4 1459 B16R1.51 O=C(C=Cc1ccc(cn1)Br)CCCCCl 6a_100000754260_100000735457 [0,1,0,0,0,0|3,0,0]=4 1460 B16R1.51 O=C(C=Cc1ccc(cn1)F)CCCCBr 6a_100011934744_100009817362 [0,1,0,0,0,0|3,0,0]=4 1461 B16R1.51 O=C(C=Cc1ccc(cn1)F)CCCCCl 6a_100011934744_100000735457 [0,1,0,0,0,0|3,0,0]=4 1462 B16R1.51 O=C(C=Cc1ccc(cn1)F)CCCCF 1458a_100020630499_100000729493 [0,1,0,0,0,0|3,0,0]=4 1463 B16R1.51 O=C(C=Cc1ccc(cn1)F)CCCCO 1458a_100020630499_100000210776 [0,1,0,0,0,0|3,0,0]=4 1464 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCF 11a_100015189416_100020630499 [0,1,0,0,0,0|3,0,0]=4 1465 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCF 1626a_100015189416_100020630499 [0,1,0,0,0,0|3,0,0]=4 1466 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCF 240690a_100015189416_100020630499 [0,1,0,0,0,0|3,0,0]=4 1467 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCO 240690a_100000182051_100020630499 [0,1,0,0,0,0|3,0,0]=4 1468 B16R1.51 O=C(C=Cc1ccc(nc1)Br)CCCCF 1458a_100020588214_100000729493 [0,1,0,0,0,0|3,0,0]=4 1469 B16R1.51 O=C(C=Cc1ccc(nc1)Br)CCCCO 1458a_100020588214_100000210776 [0,1,0,0,0,0|3,0,0]=4 1470 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCF 11a_100015189416_100020588214 [0,1,0,0,0,0|3,0,0]=4 1471 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCF 1626a_100015189416_100020588214 [0,1,0,0,0,0|3,0,0]=4 1472 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCF 240690a_100015189416_100020588214 [0,1,0,0,0,0|3,0,0]=4 1473 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCO 240690a_100000182051_100020588214 [0,1,0,0,0,0|3,0,0]=4 1474 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000731252 [0,1,0,0,0,0|1,0,2]=4 1475 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000731252 [0,1,0,0,0,0|1,0,2]=4 1476 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000731252 [0,1,0,0,0,0|1,0,2]=4 1477 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000731252 [0,1,0,0,0,0|1,0,2]=4 1478 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000731252 [0,1,0,0,0,0|1,0,2]=4 1479 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Br 11a_100000755551_100016258244 [0,1,0,0,0,0|1,0,2]=4 1480 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000755551_100016258244 [0,1,0,0,0,0|1,0,2]=4 1481 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000755551_100016258244 [0,1,0,0,0,0|1,0,2]=4 1482 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)C 11a_100000755551_100000690095 [0,1,0,0,0,0|1,0,2]=4 1483 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)C 1626a_100000755551_100000690095 [0,1,0,0,0,0|1,0,2]=4 1484 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)C 240690a_100000755551_100000690095 [0,1,0,0,0,0|1,0,2]=4 1485 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000755551_100000184502 [0,1,0,0,0,0|1,0,2]=4 1486 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000755551_100000184502 [0,1,0,0,0,0|1,0,2]=4 1487 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000755551_100000184502 [0,1,0,0,0,0|1,0,2]=4 1488 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)F 11a_100000755551_100000718793 [0,1,0,0,0,0|1,0,2]=4 1489 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)F 1626a_100000755551_100000718793 [0,1,0,0,0,0|1,0,2]=4 1490 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)F 240690a_100000755551_100000718793 [0,1,0,0,0,0|1,0,2]=4 1491 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)I 11a_100000755551_100020647043 [0,1,0,0,0,0|1,0,2]=4 1492 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)I 1626a_100000755551_100020647043 [0,1,0,0,0,0|1,0,2]=4 1493 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)I 240690a_100000755551_100020647043 [0,1,0,0,0,0|1,0,2]=4 1494 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000757094 [0,1,0,0,0,0|1,0,2]=4 1495 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000757094 [0,1,0,0,0,0|1,0,2]=4 1496 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000757094 [0,1,0,0,0,0|1,0,2]=4 1497 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000757094 [0,1,0,0,0,0|1,0,2]=4 1498 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000757094 [0,1,0,0,0,0|1,0,2]=4 1499 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 11a_100015191253_100016258244 [0,1,0,0,0,0|1,0,2]=4 1500 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100015191253_100016258244 [0,1,0,0,0,0|1,0,2]=4 1501 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100015191253_100016258244 [0,1,0,0,0,0|1,0,2]=4 1502 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 11a_100015191253_100000690095 [0,1,0,0,0,0|1,0,2]=4 1503 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 1626a_100015191253_100000690095 [0,1,0,0,0,0|1,0,2]=4 1504 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 240690a_100015191253_100000690095 [0,1,0,0,0,0|1,0,2]=4 1505 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100015191253_100000184502 [0,1,0,0,0,0|1,0,2]=4 1506 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100015191253_100000184502 [0,1,0,0,0,0|1,0,2]=4 1507 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015191253_100000184502 [0,1,0,0,0,0|1,0,2]=4 1508 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 11a_100015191253_100000718793 [0,1,0,0,0,0|1,0,2]=4 1509 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 1626a_100015191253_100000718793 [0,1,0,0,0,0|1,0,2]=4 1510 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 240690a_100015191253_100000718793 [0,1,0,0,0,0|1,0,2]=4 1511 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 11a_100015191253_100020647043 [0,1,0,0,0,0|1,0,2]=4 1512 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 1626a_100015191253_100020647043 [0,1,0,0,0,0|1,0,2]=4 1513 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 240690a_100015191253_100020647043 [0,1,0,0,0,0|1,0,2]=4 1514 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Br 11a_100000685387_100016258244 [0,1,0,0,0,0|1,0,2]=4 1515 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000685387_100016258244 [0,1,0,0,0,0|1,0,2]=4 1516 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)C 11a_100000685387_100000690095 [0,1,0,0,0,0|1,0,2]=4 1517 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)C 1626a_100000685387_100000690095 [0,1,0,0,0,0|1,0,2]=4 1518 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000685387_100000184502 [0,1,0,0,0,0|1,0,2]=4 1519 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000685387_100000184502 [0,1,0,0,0,0|1,0,2]=4 1520 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)F 11a_100000685387_100000718793 [0,1,0,0,0,0|1,0,2]=4 1521 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000685387_100000718793 [0,1,0,0,0,0|1,0,2]=4 1522 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)I 11a_100000685387_100020647043 [0,1,0,0,0,0|1,0,2]=4 1523 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000685387_100020647043 [0,1,0,0,0,0|1,0,2]=4 1524 B16R1.52 CC/C=C\CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100103147603 [0,1,0,0,0,0|1,0,2]=4 1525 B16R1.52 CC/C=C\CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100103147603 [0,1,0,0,0,0|1,0,2]=4 1526 B16R1.52 CC/C=C\CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100103147603 [0,1,0,0,0,0|1,0,2]=4 1527 B16R1.52 CC/C=C\CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100103147603 [0,1,0,0,0,0|1,0,2]=4 1528 B16R1.52 CC/C=C\CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100103147603 [0,1,0,0,0,0|1,0,2]=4 1529 B16R1.52 CCC#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100009813939 [0,1,0,0,0,0|1,0,2]=4 1530 B16R1.52 CCC#CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100009813939 [0,1,0,0,0,0|1,0,2]=4 1531 B16R1.52 CCC#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100009813939 [0,1,0,0,0,0|1,0,2]=4 1532 B16R1.52 CCC#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100009813939 [0,1,0,0,0,0|1,0,2]=4 1533 B16R1.52 CCC#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100009813939 [0,1,0,0,0,0|1,0,2]=4 1534 B16R1.52 CCCCCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210326 [0,1,0,0,0,0|1,0,2]=4 1535 B16R1.52 CCCCCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210326 [0,1,0,0,0,0|1,0,2]=4 1536 B16R1.52 CCCCCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210326 [0,1,0,0,0,0|1,0,2]=4 1537 B16R1.52 CCCCCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210326 [0,1,0,0,0,0|1,0,2]=4 1538 B16R1.52 CCCCCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210326 [0,1,0,0,0,0|1,0,2]=4 1539 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210326 [0,1,0,0,0,0|1,0,0]=2 1540 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215151 [0,1,0,0,0,0|1,0,0]=2 1541 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210326 [0,1,0,0,0,0|1,0,0]=2 1542 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210326 [0,1,0,0,0,0|1,0,0]=2 1543 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210326 [0,1,0,0,0,0|1,0,0]=2 1544 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215151 [0,1,0,0,0,0|1,0,0]=2 1545 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210326 [0,1,0,0,0,0|1,0,0]=2 1546 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215151 [0,1,0,0,0,0|1,0,0]=2 1547 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011215151 [0,1,0,0,0,0|2,0,0]=3 1548 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011215151 [0,1,0,0,0,0|2,0,0]=3 1549 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011215151 [0,1,0,0,0,0|2,0,0]=3 1550 B16R1.52 CCCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011215151 [0,1,0,0,0,0|2,0,0]=3 1551 B16R1.52 CCCCCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100011215151 [0,1,0,0,0,0|3,0,0]=4 1552 B16R1.52 CCCCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210326 [0,1,0,0,0,0|1,0,2]=4 1553 B16R1.52 CCCCCC(=O)CCc1cccc(c1)Br 1458a_100000212188_100011740638 [0,1,0,0,0,0|1,0,2]=4 1554 B16R1.52 CCCCCC(=O)CCc1cccc(c1)C 1458a_100000212188_100011713685 [0,1,0,0,0,0|1,0,2]=4 1555 B16R1.52 CCCCCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210326 [0,1,0,0,0,0|1,0,2]=4 1556 B16R1.52 CCCCCC(=O)CCc1cccc(c1)Cl 1458a_100000212188_100011713710 [0,1,0,0,0,0|1,0,2]=4 1557 B16R1.52 CCCCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210326 [0,1,0,0,0,0|1,0,2]=4 1558 B16R1.52 CCCCCC(=O)CCc1cccc(c1)F 1458a_100000212188_100011217235 [0,1,0,0,0,0|1,0,2]=4 1559 B16R1.52 CCCCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210326 [0,1,0,0,0,0|1,0,2]=4 1560 B16R1.52 CCCCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210326 [0,1,0,0,0,0|1,0,2]=4 1561 B16R1.52 CCCCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210326 [0,1,0,0,0,0|1,0,2]=4 1562 B16R1.52 CCCCCC(=O)CNc1cccc(c1)Br 34a_100000210019_200012276598 [0,1,0,0,0,0|2,0,1]=4 1563 B16R1.52 CCCCCC(=O)CNc1cccc(c1)C 2230a_100000188690_200012276598 [0,1,0,0,0,0|2,0,1]=4 1564 B16R1.52 CCCCCC(=O)CNc1cccc(c1)C 34a_100000188690_200012276598 [0,1,0,0,0,0|2,0,1]=4 1565 B16R1.52 CCCCCC(=O)CNc1cccc(c1)Cl 34a_100000185859_200012276598 [0,1,0,0,0,0|2,0,1]=4 1566 B16R1.52 CCCCCC(=O)CNc1cccc(c1)F 34a_100000210047_200012276598 [0,1,0,0,0,0|2,0,1]=4 1567 B16R1.52 CCCCCC(=O)CNc1cccc(c1)I 34a_100000211102_200012276598 [0,1,0,0,0,0|2,0,1]=4 1568 B16R1.52 CCCCCC(=O)CNc1cccc(c1)O 34a_100000210217_200012276598 [0,1,0,0,0,0|2,0,1]=4 1569 B16R1.52 CCCCCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210326 [0,1,0,0,0,0|2,0,1]=4 1570 B16R1.52 CCCCCC(=O)COc1cccc(c1)Br 34a_100000210342_200012276598 [0,1,0,0,0,0|2,0,1]=4 1571 B16R1.52 CCCCCC(=O)COc1cccc(c1)Br 7a_100000210342_200012276598 [0,1,0,0,0,0|2,0,1]=4 1572 B16R1.52 CCCCCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210326 [0,1,0,0,0,0|2,0,1]=4 1573 B16R1.52 CCCCCC(=O)COc1cccc(c1)C 34a_100000210337_200012276598 [0,1,0,0,0,0|2,0,1]=4 1574 B16R1.52 CCCCCC(=O)COc1cccc(c1)C 7a_100000210337_200012276598 [0,1,0,0,0,0|2,0,1]=4 1575 B16R1.52 CCCCCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210326 [0,1,0,0,0,0|2,0,1]=4 1576 B16R1.52 CCCCCC(=O)COc1cccc(c1)Cl 34a_100000210295_200012276598 [0,1,0,0,0,0|2,0,1]=4 1577 B16R1.52 CCCCCC(=O)COc1cccc(c1)Cl 7a_100000210295_200012276598 [0,1,0,0,0,0|2,0,1]=4 1578 B16R1.52 CCCCCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210326 [0,1,0,0,0,0|2,0,1]=4 1579 B16R1.52 CCCCCC(=O)COc1cccc(c1)F 34a_100000210426_200012276598 [0,1,0,0,0,0|2,0,1]=4 1580 B16R1.52 CCCCCC(=O)COc1cccc(c1)F 7a_100000210426_200012276598 [0,1,0,0,0,0|2,0,1]=4 1581 B16R1.52 CCCCCC(=O)COc1cccc(c1)I 34a_100000211634_200012276598 [0,1,0,0,0,0|2,0,1]=4 1582 B16R1.52 CCCCCC(=O)COc1cccc(c1)I 7a_100000211634_200012276598 [0,1,0,0,0,0|2,0,1]=4 1583 B16R1.52 CCCCCC(=O)COc1cccc(c1)N 34a_100000210217_200012276598 [0,1,0,0,0,0|2,0,1]=4 1584 B16R1.52 CCCCCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210326 [0,1,0,0,0,0|2,0,1]=4 1585 B16R1.52 CCCCCC(=O)CSc1cccc(c1)Br 62a_100000691529_200012276598 [0,1,0,0,0,0|2,0,1]=4 1586 B16R1.52 CCCCCC(=O)CSc1cccc(c1)Br 62a_200012276598_100000691529 [0,1,0,0,0,0|2,0,1]=4 1587 B16R1.52 CCCCCC(=O)CSc1cccc(c1)C 62a_100011215228_200012276598 [0,1,0,0,0,0|2,0,1]=4 1588 B16R1.52 CCCCCC(=O)CSc1cccc(c1)C 62a_200012276598_100011215228 [0,1,0,0,0,0|2,0,1]=4 1589 B16R1.52 CCCCCC(=O)CSc1cccc(c1)Cl 62a_100000699651_200012276598 [0,1,0,0,0,0|2,0,1]=4 1590 B16R1.52 CCCCCC(=O)CSc1cccc(c1)Cl 62a_200012276598_100000699651 [0,1,0,0,0,0|2,0,1]=4 1591 B16R1.52 CCCCCC(=O)CSc1cccc(c1)F 62a_100000685547_200012276598 [0,1,0,0,0,0|2,0,1]=4 1592 B16R1.52 CCCCCC(=O)CSc1cccc(c1)F 62a_200012276598_100000685547 [0,1,0,0,0,0|2,0,1]=4 1593 B16R1.52 CCCCCC(=O)CSc1cccc(c1)N 62a_100000210019_200012276598 [0,1,0,0,0,0|2,0,1]=4 1594 B16R1.52 CCCCCC(=O)CSc1cccc(c1)N 62a_200012276598_100000210019 [0,1,0,0,0,0|2,0,1]=4 1595 B16R1.52 CCCCCC(=O)CSc1cccc(c1)O 62a_200012276598_100000211634 [0,1,0,0,0,0|2,0,1]=4 1596 B16R1.52 CCCCCC(=O)CSc1cccc(c1)[S] 62a_114929384022_200012276598 [0,1,0,0,0,0|2,0,1]=4 1597 B16R1.52 CCCCCC(=O)CSc1cccc(c1)[S] 62a_200012276598_114929384022 [0,1,0,0,0,0|2,0,1]=4 1598 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000212188 [0,1,0,0,0,0|2,0,1]=4 1599 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000212188 [0,1,0,0,0,0|2,0,1]=4 1600 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000212188 [0,1,0,0,0,0|2,0,1]=4 1601 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000212188 [0,1,0,0,0,0|2,0,1]=4 1602 B16R1.52 CCCCCC(=O)NCc1cccc(c1)C 11a_100000185548_100000212188 [0,1,0,0,0,0|2,0,1]=4 1603 B16R1.52 CCCCCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000212188 [0,1,0,0,0,0|2,0,1]=4 1604 B16R1.52 CCCCCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000212188 [0,1,0,0,0,0|2,0,1]=4 1605 B16R1.52 CCCCCC(=O)NCc1cccc(c1)C 527a_100000185548_100000212188 [0,1,0,0,0,0|2,0,1]=4 1606 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000212188 [0,1,0,0,0,0|2,0,1]=4 1607 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000212188 [0,1,0,0,0,0|2,0,1]=4 1608 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000212188 [0,1,0,0,0,0|2,0,1]=4 1609 B16R1.52 CCCCCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000212188 [0,1,0,0,0,0|2,0,1]=4 1610 B16R1.52 CCCCCC(=O)NCc1cccc(c1)F 11a_100000174948_100000212188 [0,1,0,0,0,0|2,0,1]=4 1611 B16R1.52 CCCCCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000212188 [0,1,0,0,0,0|2,0,1]=4 1612 B16R1.52 CCCCCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000212188 [0,1,0,0,0,0|2,0,1]=4 1613 B16R1.52 CCCCCC(=O)NCc1cccc(c1)F 527a_100000174948_100000212188 [0,1,0,0,0,0|2,0,1]=4 1614 B16R1.52 CCCCCC(=O)NCc1cccc(c1)I 11a_100000106179_100000212188 [0,1,0,0,0,0|2,0,1]=4 1615 B16R1.52 CCCCCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000212188 [0,1,0,0,0,0|2,0,1]=4 1616 B16R1.52 CCCCCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000212188 [0,1,0,0,0,0|2,0,1]=4 1617 B16R1.52 CCCCCC(=O)NCc1cccc(c1)I 527a_100000106179_100000212188 [0,1,0,0,0,0|2,0,1]=4 1618 B16R1.52 CCCCCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000212188 [0,1,0,0,0,0|2,0,1]=4 1619 B16R1.52 CCCCCC(=O)NCc1cccc(c1)O 527a_100000743036_100000212188 [0,1,0,0,0,0|2,0,1]=4 1620 B16R1.52 CCCCCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000212188 [0,1,0,0,0,0|3,0,0]=4 1621 B16R1.52 CCCCCC(=O)NNc1cccc(c1)C 22a_100000681630_100000212188 [0,1,0,0,0,0|3,0,0]=4 1622 B16R1.52 CCCCCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000212188 [0,1,0,0,0,0|3,0,0]=4 1623 B16R1.52 CCCCCC(=O)NNc1cccc(c1)F 22a_100000745080_100000212188 [0,1,0,0,0,0|3,0,0]=4 1624 B16R1.52 CCCCCC(=O)NNc1cccc(c1)I 22a_100020605690_100000212188 [0,1,0,0,0,0|3,0,0]=4 1625 B16R1.52 CCCCNC(=O)C#Cc1cccc(c1)C 240690a_100000102301_100011892726 [0,1,0,0,0,0|1,0,2]=4 1626 B16R1.52 CCCCNC(=O)C#Cc1cccc(c1)Cl 240690a_100000102301_100011892777 [0,1,0,0,0,0|1,0,2]=4 1627 B16R1.52 CCCCNC(=O)C#Cc1cccc(c1)F 240690a_100000102301_100011892744 [0,1,0,0,0,0|1,0,2]=4 1628 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000102301_100016258244 [0,1,0,0,0,0|1,0,0]=2 1629 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000102301_100016258244 [0,1,0,0,0,0|1,0,0]=2 1630 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000102301_100016258244 [0,1,0,0,0,0|1,0,0]=2 1631 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 11a_100000102301_100000690095 [0,1,0,0,0,0|1,0,0]=2 1632 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000102301_100000690095 [0,1,0,0,0,0|1,0,0]=2 1633 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000102301_100000690095 [0,1,0,0,0,0|1,0,0]=2 1634 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000102301_100000184502 [0,1,0,0,0,0|1,0,0]=2 1635 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000102301_100000184502 [0,1,0,0,0,0|1,0,0]=2 1636 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000102301_100000184502 [0,1,0,0,0,0|1,0,0]=2 1637 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 11a_100000102301_100000718793 [0,1,0,0,0,0|1,0,0]=2 1638 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000102301_100000718793 [0,1,0,0,0,0|1,0,0]=2 1639 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000102301_100000718793 [0,1,0,0,0,0|1,0,0]=2 1640 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 11a_100000102301_100020647043 [0,1,0,0,0,0|1,0,0]=2 1641 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000102301_100020647043 [0,1,0,0,0,0|1,0,0]=2 1642 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000102301_100020647043 [0,1,0,0,0,0|1,0,0]=2 1643 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Br 11a_100000102301_100000184314 [0,1,0,0,0,0|1,0,2]=4 1644 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Br 1626a_100000102301_100000184314 [0,1,0,0,0,0|1,0,2]=4 1645 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Br 240690a_100000102301_100000184314 [0,1,0,0,0,0|1,0,2]=4 1646 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Br 527a_100000102301_100000184314 [0,1,0,0,0,0|1,0,2]=4 1647 B16R1.52 CCCCNC(=O)CCc1cccc(c1)C 11a_100000102301_100000234952 [0,1,0,0,0,0|1,0,2]=4 1648 B16R1.52 CCCCNC(=O)CCc1cccc(c1)C 1626a_100000102301_100000234952 [0,1,0,0,0,0|1,0,2]=4 1649 B16R1.52 CCCCNC(=O)CCc1cccc(c1)C 240690a_100000102301_100000234952 [0,1,0,0,0,0|1,0,2]=4 1650 B16R1.52 CCCCNC(=O)CCc1cccc(c1)C 527a_100000102301_100000234952 [0,1,0,0,0,0|1,0,2]=4 1651 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Cl 11a_100000102301_100000235675 [0,1,0,0,0,0|1,0,2]=4 1652 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Cl 1626a_100000102301_100000235675 [0,1,0,0,0,0|1,0,2]=4 1653 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Cl 240690a_100000102301_100000235675 [0,1,0,0,0,0|1,0,2]=4 1654 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Cl 527a_100000102301_100000235675 [0,1,0,0,0,0|1,0,2]=4 1655 B16R1.52 CCCCNC(=O)CCc1cccc(c1)F 11a_100000102301_100000235673 [0,1,0,0,0,0|1,0,2]=4 1656 B16R1.52 CCCCNC(=O)CCc1cccc(c1)F 1626a_100000102301_100000235673 [0,1,0,0,0,0|1,0,2]=4 1657 B16R1.52 CCCCNC(=O)CCc1cccc(c1)F 240690a_100000102301_100000235673 [0,1,0,0,0,0|1,0,2]=4 1658 B16R1.52 CCCCNC(=O)CCc1cccc(c1)F 527a_100000102301_100000235673 [0,1,0,0,0,0|1,0,2]=4 1659 B16R1.52 CCCCNC(=O)CCc1cccc(c1)I 11a_100000102301_100010007846 [0,1,0,0,0,0|1,0,2]=4 1660 B16R1.52 CCCCNC(=O)CCc1cccc(c1)I 1626a_100000102301_100010007846 [0,1,0,0,0,0|1,0,2]=4 1661 B16R1.52 CCCCNC(=O)CCc1cccc(c1)I 240690a_100000102301_100010007846 [0,1,0,0,0,0|1,0,2]=4 1662 B16R1.52 CCCCNC(=O)CCc1cccc(c1)I 527a_100000102301_100010007846 [0,1,0,0,0,0|1,0,2]=4 1663 B16R1.52 CCCCNC(=O)CCc1cccc(c1)O 240690a_100000102301_100011216126 [0,1,0,0,0,0|1,0,2]=4 1664 B16R1.52 CCCCNC(=O)CCc1cccc(c1)O 527a_100000102301_100011216126 [0,1,0,0,0,0|1,0,2]=4 1665 B16R1.52 CCCCNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000182744 [0,1,0,0,0,0|2,0,1]=4 1666 B16R1.52 CCCCNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000182744 [0,1,0,0,0,0|2,0,1]=4 1667 B16R1.52 CCCCNC(=O)CNc1cccc(c1)C 34a_100000188690_100000182744 [0,1,0,0,0,0|2,0,1]=4 1668 B16R1.52 CCCCNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000182744 [0,1,0,0,0,0|2,0,1]=4 1669 B16R1.52 CCCCNC(=O)CNc1cccc(c1)F 34a_100000210047_100000182744 [0,1,0,0,0,0|2,0,1]=4 1670 B16R1.52 CCCCNC(=O)CNc1cccc(c1)I 34a_100000211102_100000182744 [0,1,0,0,0,0|2,0,1]=4 1671 B16R1.52 CCCCNC(=O)CNc1cccc(c1)O 34a_100000210217_100000182744 [0,1,0,0,0,0|2,0,1]=4 1672 B16R1.52 CCCCNC(=O)COc1cccc(c1)Br 11a_100000102301_100000182359 [0,1,0,0,0,0|2,0,1]=4 1673 B16R1.52 CCCCNC(=O)COc1cccc(c1)Br 1626a_100000102301_100000182359 [0,1,0,0,0,0|2,0,1]=4 1674 B16R1.52 CCCCNC(=O)COc1cccc(c1)Br 240690a_100000102301_100000182359 [0,1,0,0,0,0|2,0,1]=4 1675 B16R1.52 CCCCNC(=O)COc1cccc(c1)Br 34a_100000210342_100000182744 [0,1,0,0,0,0|2,0,1]=4 1676 B16R1.52 CCCCNC(=O)COc1cccc(c1)Br 527a_100000102301_100000182359 [0,1,0,0,0,0|2,0,1]=4 1677 B16R1.52 CCCCNC(=O)COc1cccc(c1)Br 7a_100000210342_100000182744 [0,1,0,0,0,0|2,0,1]=4 1678 B16R1.52 CCCCNC(=O)COc1cccc(c1)C 11a_100000102301_100000183606 [0,1,0,0,0,0|2,0,1]=4 1679 B16R1.52 CCCCNC(=O)COc1cccc(c1)C 1626a_100000102301_100000183606 [0,1,0,0,0,0|2,0,1]=4 1680 B16R1.52 CCCCNC(=O)COc1cccc(c1)C 240690a_100000102301_100000183606 [0,1,0,0,0,0|2,0,1]=4 1681 B16R1.52 CCCCNC(=O)COc1cccc(c1)C 34a_100000210337_100000182744 [0,1,0,0,0,0|2,0,1]=4 1682 B16R1.52 CCCCNC(=O)COc1cccc(c1)C 527a_100000102301_100000183606 [0,1,0,0,0,0|2,0,1]=4 1683 B16R1.52 CCCCNC(=O)COc1cccc(c1)C 7a_100000210337_100000182744 [0,1,0,0,0,0|2,0,1]=4 1684 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl 11a_100000102301_100000184978 [0,1,0,0,0,0|2,0,1]=4 1685 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl 1626a_100000102301_100000184978 [0,1,0,0,0,0|2,0,1]=4 1686 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl 240690a_100000102301_100000184978 [0,1,0,0,0,0|2,0,1]=4 1687 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000182744 [0,1,0,0,0,0|2,0,1]=4 1688 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl 527a_100000102301_100000184978 [0,1,0,0,0,0|2,0,1]=4 1689 B16R1.52 CCCCNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000182744 [0,1,0,0,0,0|2,0,1]=4 1690 B16R1.52 CCCCNC(=O)COc1cccc(c1)F 11a_100000102301_100000182781 [0,1,0,0,0,0|2,0,1]=4 1691 B16R1.52 CCCCNC(=O)COc1cccc(c1)F 1626a_100000102301_100000182781 [0,1,0,0,0,0|2,0,1]=4 1692 B16R1.52 CCCCNC(=O)COc1cccc(c1)F 240690a_100000102301_100000182781 [0,1,0,0,0,0|2,0,1]=4 1693 B16R1.52 CCCCNC(=O)COc1cccc(c1)F 34a_100000210426_100000182744 [0,1,0,0,0,0|2,0,1]=4 1694 B16R1.52 CCCCNC(=O)COc1cccc(c1)F 527a_100000102301_100000182781 [0,1,0,0,0,0|2,0,1]=4 1695 B16R1.52 CCCCNC(=O)COc1cccc(c1)F 7a_100000210426_100000182744 [0,1,0,0,0,0|2,0,1]=4 1696 B16R1.52 CCCCNC(=O)COc1cccc(c1)I 34a_100000211634_100000182744 [0,1,0,0,0,0|2,0,1]=4 1697 B16R1.52 CCCCNC(=O)COc1cccc(c1)I 7a_100000211634_100000182744 [0,1,0,0,0,0|2,0,1]=4 1698 B16R1.52 CCCCNC(=O)COc1cccc(c1)N 34a_100000210217_100000182744 [0,1,0,0,0,0|2,0,1]=4 1699 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Br 11a_100000102301_100000760868 [0,1,0,0,0,0|2,0,1]=4 1700 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Br 1626a_100000102301_100000760868 [0,1,0,0,0,0|2,0,1]=4 1701 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Br 240690a_100000102301_100000760868 [0,1,0,0,0,0|2,0,1]=4 1702 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Br 527a_100000102301_100000760868 [0,1,0,0,0,0|2,0,1]=4 1703 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Br 62a_100000182744_100000691529 [0,1,0,0,0,0|2,0,1]=4 1704 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000182744 [0,1,0,0,0,0|2,0,1]=4 1705 B16R1.52 CCCCNC(=O)CSc1cccc(c1)C 62a_100000182744_100011215228 [0,1,0,0,0,0|2,0,1]=4 1706 B16R1.52 CCCCNC(=O)CSc1cccc(c1)C 62a_100011215228_100000182744 [0,1,0,0,0,0|2,0,1]=4 1707 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Cl 62a_100000182744_100000699651 [0,1,0,0,0,0|2,0,1]=4 1708 B16R1.52 CCCCNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000182744 [0,1,0,0,0,0|2,0,1]=4 1709 B16R1.52 CCCCNC(=O)CSc1cccc(c1)F 62a_100000182744_100000685547 [0,1,0,0,0,0|2,0,1]=4 1710 B16R1.52 CCCCNC(=O)CSc1cccc(c1)F 62a_100000685547_100000182744 [0,1,0,0,0,0|2,0,1]=4 1711 B16R1.52 CCCCNC(=O)CSc1cccc(c1)N 62a_100000182744_100000210019 [0,1,0,0,0,0|2,0,1]=4 1712 B16R1.52 CCCCNC(=O)CSc1cccc(c1)N 62a_100000210019_100000182744 [0,1,0,0,0,0|2,0,1]=4 1713 B16R1.52 CCCCNC(=O)CSc1cccc(c1)O 62a_100000182744_100000211634 [0,1,0,0,0,0|2,0,1]=4 1714 B16R1.52 CCCCNC(=O)CSc1cccc(c1)[S] 62a_100000182744_114929384022 [0,1,0,0,0,0|2,0,1]=4 1715 B16R1.52 CCCCNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000182744 [0,1,0,0,0,0|2,0,1]=4 1716 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Br 2708a_100000102301_100000174977 [0,1,0,0,0,0|2,0,1]=4 1717 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100000102301 [0,1,0,0,0,0|2,0,1]=4 1718 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Br 273464a_100000102301_100000174977 [0,1,0,0,0,0|2,0,1]=4 1719 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100000102301 [0,1,0,0,0,0|2,0,1]=4 1720 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Br 512a_100000102301_100000174977 [0,1,0,0,0,0|2,0,1]=4 1721 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Br 512a_100000174977_100000102301 [0,1,0,0,0,0|2,0,1]=4 1722 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C 2708a_100000102301_100000185548 [0,1,0,0,0,0|2,0,1]=4 1723 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C 2708a_100000185548_100000102301 [0,1,0,0,0,0|2,0,1]=4 1724 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C 273464a_100000102301_100000185548 [0,1,0,0,0,0|2,0,1]=4 1725 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C 273464a_100000185548_100000102301 [0,1,0,0,0,0|2,0,1]=4 1726 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C 512a_100000102301_100000185548 [0,1,0,0,0,0|2,0,1]=4 1727 B16R1.52 CCCCNC(=O)NCc1cccc(c1)C 512a_100000185548_100000102301 [0,1,0,0,0,0|2,0,1]=4 1728 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Cl 2708a_100000102301_100000174878 [0,1,0,0,0,0|2,0,1]=4 1729 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000102301 [0,1,0,0,0,0|2,0,1]=4 1730 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Cl 273464a_100000102301_100000174878 [0,1,0,0,0,0|2,0,1]=4 1731 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000102301 [0,1,0,0,0,0|2,0,1]=4 1732 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Cl 512a_100000102301_100000174878 [0,1,0,0,0,0|2,0,1]=4 1733 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100000102301 [0,1,0,0,0,0|2,0,1]=4 1734 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F 2708a_100000102301_100000174948 [0,1,0,0,0,0|2,0,1]=4 1735 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100000102301 [0,1,0,0,0,0|2,0,1]=4 1736 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F 273464a_100000102301_100000174948 [0,1,0,0,0,0|2,0,1]=4 1737 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100000102301 [0,1,0,0,0,0|2,0,1]=4 1738 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F 512a_100000102301_100000174948 [0,1,0,0,0,0|2,0,1]=4 1739 B16R1.52 CCCCNC(=O)NCc1cccc(c1)F 512a_100000174948_100000102301 [0,1,0,0,0,0|2,0,1]=4 1740 B16R1.52 CCCCNC(=O)NCc1cccc(c1)I 2708a_100000102301_100000106179 [0,1,0,0,0,0|2,0,1]=4 1741 B16R1.52 CCCCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100000102301 [0,1,0,0,0,0|2,0,1]=4 1742 B16R1.52 CCCCNC(=O)NCc1cccc(c1)I 273464a_100000102301_100000106179 [0,1,0,0,0,0|2,0,1]=4 1743 B16R1.52 CCCCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100000102301 [0,1,0,0,0,0|2,0,1]=4 1744 B16R1.52 CCCCNC(=O)NCc1cccc(c1)I 512a_100000102301_100000106179 [0,1,0,0,0,0|2,0,1]=4 1745 B16R1.52 CCCCNC(=O)NCc1cccc(c1)I 512a_100000106179_100000102301 [0,1,0,0,0,0|2,0,1]=4 1746 B16R1.52 CCCCNC(=O)NCc1cccc(c1)O 2708a_100000102301_100000743036 [0,1,0,0,0,0|2,0,1]=4 1747 B16R1.52 CCCCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100000102301 [0,1,0,0,0,0|2,0,1]=4 1748 B16R1.52 CCCCNC(=O)NCc1cccc(c1)O 273464a_100000102301_100000743036 [0,1,0,0,0,0|2,0,1]=4 1749 B16R1.52 CCCCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100000102301 [0,1,0,0,0,0|2,0,1]=4 1750 B16R1.52 CCCCNC(=O)NCc1cccc(c1)O 512a_100000102301_100000743036 [0,1,0,0,0,0|2,0,1]=4 1751 B16R1.52 CCCCNC(=O)NCc1cccc(c1)O 512a_100000743036_100000102301 [0,1,0,0,0,0|2,0,1]=4 1752 B16R1.52 CCCCNC(=O)NNc1cccc(c1)Br 273464a_100000102301_100000217339 [0,1,0,0,0,0|3,0,0]=4 1753 B16R1.52 CCCCNC(=O)NNc1cccc(c1)Br 512a_100000102301_100000217339 [0,1,0,0,0,0|3,0,0]=4 1754 B16R1.52 CCCCNC(=O)NNc1cccc(c1)Br 512a_100000217339_100000102301 [0,1,0,0,0,0|3,0,0]=4 1755 B16R1.52 CCCCNC(=O)NNc1cccc(c1)C 273464a_100000102301_100000681630 [0,1,0,0,0,0|3,0,0]=4 1756 B16R1.52 CCCCNC(=O)NNc1cccc(c1)C 512a_100000102301_100000681630 [0,1,0,0,0,0|3,0,0]=4 1757 B16R1.52 CCCCNC(=O)NNc1cccc(c1)C 512a_100000681630_100000102301 [0,1,0,0,0,0|3,0,0]=4 1758 B16R1.52 CCCCNC(=O)NNc1cccc(c1)Cl 273464a_100000102301_100000184277 [0,1,0,0,0,0|3,0,0]=4 1759 B16R1.52 CCCCNC(=O)NNc1cccc(c1)Cl 512a_100000102301_100000184277 [0,1,0,0,0,0|3,0,0]=4 1760 B16R1.52 CCCCNC(=O)NNc1cccc(c1)F 273464a_100000102301_100000745080 [0,1,0,0,0,0|3,0,0]=4 1761 B16R1.52 CCCCNC(=O)NNc1cccc(c1)F 512a_100000102301_100000745080 [0,1,0,0,0,0|3,0,0]=4 1762 B16R1.52 CCCCNC(=O)NNc1cccc(c1)F 512a_100000745080_100000102301 [0,1,0,0,0,0|3,0,0]=4 1763 B16R1.52 CCCCNC(=O)NNc1cccc(c1)I 273464a_100000102301_100020605690 [0,1,0,0,0,0|3,0,0]=4 1764 B16R1.52 CCCCNC(=O)NNc1cccc(c1)I 512a_100000102301_100020605690 [0,1,0,0,0,0|3,0,0]=4 1765 B16R1.52 CCCCNC(=O)NNc1cccc(c1)I 512a_100020605690_100000102301 [0,1,0,0,0,0|3,0,0]=4 1766 B16R1.52 CCCCOC(=O)CNc1cccc(c1)Br 34a_100000210019_100000211628 [0,1,0,0,0,0|1,0,1]=3 1767 B16R1.52 CCCCOC(=O)CNc1cccc(c1)C 2230a_100000188690_100000211628 [0,1,0,0,0,0|1,0,1]=3 1768 B16R1.52 CCCCOC(=O)CNc1cccc(c1)C 34a_100000188690_100000211628 [0,1,0,0,0,0|1,0,1]=3 1769 B16R1.52 CCCCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000211628 [0,1,0,0,0,0|1,0,1]=3 1770 B16R1.52 CCCCOC(=O)CNc1cccc(c1)F 34a_100000210047_100000211628 [0,1,0,0,0,0|1,0,1]=3 1771 B16R1.52 CCCCOC(=O)CNc1cccc(c1)I 34a_100000211102_100000211628 [0,1,0,0,0,0|1,0,1]=3 1772 B16R1.52 CCCCOC(=O)CNc1cccc(c1)O 34a_100000210217_100000211628 [0,1,0,0,0,0|1,0,1]=3 1773 B16R1.52 CCCCOC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000211628 [0,1,0,0,0,0|2,0,1]=4 1774 B16R1.52 CCCCOC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000211628 [0,1,0,0,0,0|2,0,1]=4 1775 B16R1.52 CCCCOC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000211628 [0,1,0,0,0,0|2,0,1]=4 1776 B16R1.52 CCCCOC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000211628 [0,1,0,0,0,0|2,0,1]=4 1777 B16R1.52 CCCCOC(=O)COc1cccc(c1)Br 34a_100000210342_100000211628 [0,1,0,0,0,0|1,0,1]=3 1778 B16R1.52 CCCCOC(=O)COc1cccc(c1)Br 7a_100000210342_100000211628 [0,1,0,0,0,0|1,0,1]=3 1779 B16R1.52 CCCCOC(=O)COc1cccc(c1)C 34a_100000210337_100000211628 [0,1,0,0,0,0|1,0,1]=3 1780 B16R1.52 CCCCOC(=O)COc1cccc(c1)C 7a_100000210337_100000211628 [0,1,0,0,0,0|1,0,1]=3 1781 B16R1.52 CCCCOC(=O)COc1cccc(c1)Cl 34a_100000210295_100000211628 [0,1,0,0,0,0|1,0,1]=3 1782 B16R1.52 CCCCOC(=O)COc1cccc(c1)Cl 7a_100000210295_100000211628 [0,1,0,0,0,0|1,0,1]=3 1783 B16R1.52 CCCCOC(=O)COc1cccc(c1)F 34a_100000210426_100000211628 [0,1,0,0,0,0|1,0,1]=3 1784 B16R1.52 CCCCOC(=O)COc1cccc(c1)F 7a_100000210426_100000211628 [0,1,0,0,0,0|1,0,1]=3 1785 B16R1.52 CCCCOC(=O)COc1cccc(c1)I 34a_100000211634_100000211628 [0,1,0,0,0,0|1,0,1]=3 1786 B16R1.52 CCCCOC(=O)COc1cccc(c1)I 7a_100000211634_100000211628 [0,1,0,0,0,0|1,0,1]=3 1787 B16R1.52 CCCCOC(=O)COc1cccc(c1)N 34a_100000210217_100000211628 [0,1,0,0,0,0|1,0,1]=3 1788 B16R1.52 CCCCOC(=O)COc1cccc(n1)F 34a_100011432558_100000211628 [0,1,0,0,0,0|2,0,1]=4 1789 B16R1.52 CCCCOC(=O)COc1ccnc(c1)C 34a_100000688365_100000211628 [0,1,0,0,0,0|2,0,1]=4 1790 B16R1.52 CCCCOC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000211628 [0,1,0,0,0,0|2,0,1]=4 1791 B16R1.52 CCCCOC(=O)COc1ccnc(c1)F 34a_100000732698_100000211628 [0,1,0,0,0,0|2,0,1]=4 1792 B16R1.52 CCCCOC(=O)COc1ccnc(c1)N 34a_100011834064_100000211628 [0,1,0,0,0,0|2,0,1]=4 1793 B16R1.52 CCCCOC(=O)COc1cncc(c1)Br 34a_100000754920_100000211628 [0,1,0,0,0,0|2,0,1]=4 1794 B16R1.52 CCCCOC(=O)COc1cncc(c1)Br 7a_100000754920_100000211628 [0,1,0,0,0,0|2,0,1]=4 1795 B16R1.52 CCCCOC(=O)COc1cncc(c1)C 34a_100011830280_100000211628 [0,1,0,0,0,0|2,0,1]=4 1796 B16R1.52 CCCCOC(=O)COc1cncc(c1)C 7a_100011830280_100000211628 [0,1,0,0,0,0|2,0,1]=4 1797 B16R1.52 CCCCOC(=O)COc1cncc(c1)Cl 7a_100000032511_100000211628 [0,1,0,0,0,0|2,0,1]=4 1798 B16R1.52 CCCCOC(=O)COc1cncc(c1)F 34a_100011830296_100000211628 [0,1,0,0,0,0|2,0,1]=4 1799 B16R1.52 CCCCOC(=O)COc1cncc(c1)F 7a_100011830296_100000211628 [0,1,0,0,0,0|2,0,1]=4 1800 B16R1.52 CCCCOC(=O)COc1cncc(c1)N 34a_100011997051_100000211628 [0,1,0,0,0,0|2,0,1]=4 1801 B16R1.52 CCCCOC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000211628 [0,1,0,0,0,0|2,0,1]=4 1802 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)C 62a_100000211628_100000750283 [0,1,0,0,0,0|2,0,1]=4 1803 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)C 62a_100000750283_100000211628 [0,1,0,0,0,0|2,0,1]=4 1804 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)Cl 62a_100000211628_100010167805 [0,1,0,0,0,0|2,0,1]=4 1805 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000211628 [0,1,0,0,0,0|2,0,1]=4 1806 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)F 62a_100000211628_100000764206 [0,1,0,0,0,0|2,0,1]=4 1807 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)F 62a_100000764206_100000211628 [0,1,0,0,0,0|2,0,1]=4 1808 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)N 62a_100000211628_100009814236 [0,1,0,0,0,0|2,0,1]=4 1809 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)N 62a_100009814236_100000211628 [0,1,0,0,0,0|2,0,1]=4 1810 B16R1.52 CCCCOC(=O)CSc1cc(ccn1)O 62a_100000211628_100000762945 [0,1,0,0,0,0|2,0,1]=4 1811 B16R1.52 CCCCOC(=O)CSc1cc[nH]c(=O)c1 62a_100000211628_100009816521 [0,1,0,0,0,0|2,0,1]=4 1812 B16R1.52 CCCCOC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000211628 [0,1,0,0,0,0|2,0,1]=4 1813 B16R1.52 CCCCOC(=O)CSc1ccc[n+](c1)C 62a_100000211628_100009996589 [0,1,0,0,0,0|2,0,1]=4 1814 B16R1.52 CCCCOC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000211628 [0,1,0,0,0,0|2,0,1]=4 1815 B16R1.52 CCCCOC(=O)CSc1ccc[n+](c1)[O-] 62a_100000211628_100009815978 [0,1,0,0,0,0|2,0,1]=4 1816 B16R1.52 CCCCOC(=O)CSc1cccc(=O)[nH]1 62a_100000211628_100000752884 [0,1,0,0,0,0|2,0,1]=4 1817 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Br 62a_100000211628_100000691529 [0,1,0,0,0,0|1,0,1]=3 1818 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Br 62a_100000691529_100000211628 [0,1,0,0,0,0|1,0,1]=3 1819 B16R1.52 CCCCOC(=O)CSc1cccc(c1)C 62a_100000211628_100011215228 [0,1,0,0,0,0|1,0,1]=3 1820 B16R1.52 CCCCOC(=O)CSc1cccc(c1)C 62a_100011215228_100000211628 [0,1,0,0,0,0|1,0,1]=3 1821 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Cl 62a_100000211628_100000699651 [0,1,0,0,0,0|1,0,1]=3 1822 B16R1.52 CCCCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000211628 [0,1,0,0,0,0|1,0,1]=3 1823 B16R1.52 CCCCOC(=O)CSc1cccc(c1)F 62a_100000211628_100000685547 [0,1,0,0,0,0|1,0,1]=3 1824 B16R1.52 CCCCOC(=O)CSc1cccc(c1)F 62a_100000685547_100000211628 [0,1,0,0,0,0|1,0,1]=3 1825 B16R1.52 CCCCOC(=O)CSc1cccc(c1)N 62a_100000210019_100000211628 [0,1,0,0,0,0|1,0,1]=3 1826 B16R1.52 CCCCOC(=O)CSc1cccc(c1)N 62a_100000211628_100000210019 [0,1,0,0,0,0|1,0,1]=3 1827 B16R1.52 CCCCOC(=O)CSc1cccc(c1)O 62a_100000211628_100000211634 [0,1,0,0,0,0|1,0,1]=3 1828 B16R1.52 CCCCOC(=O)CSc1cccc(c1)[S] 62a_100000211628_114929384022 [0,1,0,0,0,0|1,0,1]=3 1829 B16R1.52 CCCCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000211628 [0,1,0,0,0,0|1,0,1]=3 1830 B16R1.52 CCCCOC(=O)CSc1cccc(n1)Br 62a_100000211628_100000684672 [0,1,0,0,0,0|2,0,1]=4 1831 B16R1.52 CCCCOC(=O)CSc1cccc(n1)Br 62a_100000684672_100000211628 [0,1,0,0,0,0|2,0,1]=4 1832 B16R1.52 CCCCOC(=O)CSc1cccc(n1)C 62a_100000211628_100000742759 [0,1,0,0,0,0|2,0,1]=4 1833 B16R1.52 CCCCOC(=O)CSc1cccc(n1)C 62a_100000742759_100000211628 [0,1,0,0,0,0|2,0,1]=4 1834 B16R1.52 CCCCOC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000211628 [0,1,0,0,0,0|2,0,1]=4 1835 B16R1.52 CCCCOC(=O)CSc1cccc(n1)Cl 62a_100000211628_100000051397 [0,1,0,0,0,0|2,0,1]=4 1836 B16R1.52 CCCCOC(=O)CSc1cccc(n1)F 62a_100000211628_100009815982 [0,1,0,0,0,0|2,0,1]=4 1837 B16R1.52 CCCCOC(=O)CSc1cccc(n1)F 62a_100009815982_100000211628 [0,1,0,0,0,0|2,0,1]=4 1838 B16R1.52 CCCCOC(=O)CSc1cccc(n1)N 62a_100000211628_100000740741 [0,1,0,0,0,0|2,0,1]=4 1839 B16R1.52 CCCCOC(=O)CSc1cccc(n1)N 62a_100000740741_100000211628 [0,1,0,0,0,0|2,0,1]=4 1840 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)Br 62a_100000211628_100009814637 [0,1,0,0,0,0|2,0,1]=4 1841 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000211628 [0,1,0,0,0,0|2,0,1]=4 1842 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)C 62a_100000211628_100000758586 [0,1,0,0,0,0|2,0,1]=4 1843 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)C 62a_100000758586_100000211628 [0,1,0,0,0,0|2,0,1]=4 1844 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000211628 [0,1,0,0,0,0|2,0,1]=4 1845 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)Cl 62a_100000211628_100000035001 [0,1,0,0,0,0|2,0,1]=4 1846 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)F 62a_100000211628_100009816116 [0,1,0,0,0,0|2,0,1]=4 1847 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)F 62a_100009816116_100000211628 [0,1,0,0,0,0|2,0,1]=4 1848 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)N 62a_100000049665_100000211628 [0,1,0,0,0,0|2,0,1]=4 1849 B16R1.52 CCCCOC(=O)CSc1ccnc(c1)N 62a_100000211628_100000049665 [0,1,0,0,0,0|2,0,1]=4 1850 B16R1.52 CCCCOC(=O)CSc1cncc(c1)Br 62a_100000211628_100000728054 [0,1,0,0,0,0|2,0,1]=4 1851 B16R1.52 CCCCOC(=O)CSc1cncc(c1)Br 62a_100000728054_100000211628 [0,1,0,0,0,0|2,0,1]=4 1852 B16R1.52 CCCCOC(=O)CSc1cncc(c1)C 62a_100000211628_100000760492 [0,1,0,0,0,0|2,0,1]=4 1853 B16R1.52 CCCCOC(=O)CSc1cncc(c1)C 62a_100000760492_100000211628 [0,1,0,0,0,0|2,0,1]=4 1854 B16R1.52 CCCCOC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000211628 [0,1,0,0,0,0|2,0,1]=4 1855 B16R1.52 CCCCOC(=O)CSc1cncc(c1)Cl 62a_100000211628_100000049639 [0,1,0,0,0,0|2,0,1]=4 1856 B16R1.52 CCCCOC(=O)CSc1cncc(c1)F 62a_100000211628_100000744099 [0,1,0,0,0,0|2,0,1]=4 1857 B16R1.52 CCCCOC(=O)CSc1cncc(c1)F 62a_100000744099_100000211628 [0,1,0,0,0,0|2,0,1]=4 1858 B16R1.52 CCCCOC(=O)CSc1cncc(c1)N 62a_100000211628_100000687067 [0,1,0,0,0,0|2,0,1]=4 1859 B16R1.52 CCCCOC(=O)CSc1cncc(c1)N 62a_100000687067_100000211628 [0,1,0,0,0,0|2,0,1]=4 1860 B16R1.52 CCCCOC(=O)CSc1cncc(c1)O 62a_100000211628_100000754920 [0,1,0,0,0,0|2,0,1]=4 1861 B16R1.52 CCCCOC(=O)CSc1cncc(c1)O 62a_100000754920_100000211628 [0,1,0,0,0,0|2,0,1]=4 1862 B16R1.52 CCCNN=C(C)C=Cc1cccc(c1)Br 4a_100000740057_200016266566 [0,1,0,0,0,0|3,0,0]=4 1863 B16R1.52 CCCNN=C(C)C=Cc1cccc(c1)Cl 4a_100000740057_200016280735 [0,1,0,0,0,0|3,0,0]=4 1864 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)Br 22a_100000740057_100016258244 [0,1,0,0,0,0|2,0,0]=3 1865 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)C 22a_100000740057_100000690095 [0,1,0,0,0,0|2,0,0]=3 1866 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000740057_100000184502 [0,1,0,0,0,0|2,0,0]=3 1867 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)F 22a_100000740057_100000718793 [0,1,0,0,0,0|2,0,0]=3 1868 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)I 22a_100000740057_100020647043 [0,1,0,0,0,0|2,0,0]=3 1869 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)O 22a_100000740057_100102525460 [0,1,0,0,0,0|2,0,0]=3 1870 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100010632825 [0,1,0,0,0,0|2,0,0]=3 1871 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100010632825 [0,1,0,0,0,0|2,0,0]=3 1872 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100010632825 [0,1,0,0,0,0|2,0,0]=3 1873 B16R1.52 CCCOCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100010632825 [0,1,0,0,0,0|3,0,0]=4 1874 B16R1.52 CCCOCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100010632825 [0,1,0,0,0,0|3,0,0]=4 1875 B16R1.52 CCCOCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100010632825 [0,1,0,0,0,0|3,0,0]=4 1876 B16R1.52 CCCOCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100010632825 [0,1,0,0,0,0|3,0,0]=4 1877 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011343953 [0,1,0,0,0,0|2,0,0]=3 1878 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011343953 [0,1,0,0,0,0|2,0,0]=3 1879 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011343953 [0,1,0,0,0,0|2,0,0]=3 1880 B16R1.52 CCCSCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011343953 [0,1,0,0,0,0|3,0,0]=4 1881 B16R1.52 CCCSCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011343953 [0,1,0,0,0,0|3,0,0]=4 1882 B16R1.52 CCCSCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011343953 [0,1,0,0,0,0|3,0,0]=4 1883 B16R1.52 CCCSCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011343953 [0,1,0,0,0,0|3,0,0]=4 1884 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215890 [0,1,0,0,0,0|2,0,0]=3 1885 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216536 [0,1,0,0,0,0|2,0,0]=3 1886 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011215890 [0,1,0,0,0,0|2,0,0]=3 1887 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215890 [0,1,0,0,0,0|2,0,0]=3 1888 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215890 [0,1,0,0,0,0|2,0,0]=3 1889 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216536 [0,1,0,0,0,0|2,0,0]=3 1890 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215890 [0,1,0,0,0,0|2,0,0]=3 1891 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216536 [0,1,0,0,0,0|2,0,0]=3 1892 B16R1.52 CCOCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_200011216536 [0,1,0,0,0,0|3,0,0]=4 1893 B16R1.52 CCOCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_200011216536 [0,1,0,0,0,0|3,0,0]=4 1894 B16R1.52 CCOCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_200011216536 [0,1,0,0,0,0|3,0,0]=4 1895 B16R1.52 CCOCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_200011216536 [0,1,0,0,0,0|3,0,0]=4 1896 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000757381 [0,1,0,0,0,0|2,0,0]=3 1897 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000757381 [0,1,0,0,0,0|2,0,0]=3 1898 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000757381 [0,1,0,0,0,0|2,0,0]=3 1899 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000757381 [0,1,0,0,0,0|2,0,0]=3 1900 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000757381 [0,1,0,0,0,0|2,0,0]=3 1901 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000740836 [0,1,0,0,0,0|2,0,0]=3 1902 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000740836 [0,1,0,0,0,0|2,0,0]=3 1903 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000740836 [0,1,0,0,0,0|2,0,0]=3 1904 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000740836 [0,1,0,0,0,0|2,0,0]=3 1905 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000740836 [0,1,0,0,0,0|2,0,0]=3 1906 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000209980_100016258244 [0,1,0,0,0,0|2,0,0]=3 1907 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000209980_100016258244 [0,1,0,0,0,0|2,0,0]=3 1908 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)C 1626a_100000209980_100000690095 [0,1,0,0,0,0|2,0,0]=3 1909 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)C 240690a_100000209980_100000690095 [0,1,0,0,0,0|2,0,0]=3 1910 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000209980_100000184502 [0,1,0,0,0,0|2,0,0]=3 1911 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000209980_100000184502 [0,1,0,0,0,0|2,0,0]=3 1912 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)F 1626a_100000209980_100000718793 [0,1,0,0,0,0|2,0,0]=3 1913 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)F 240690a_100000209980_100000718793 [0,1,0,0,0,0|2,0,0]=3 1914 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)I 1626a_100000209980_100020647043 [0,1,0,0,0,0|2,0,0]=3 1915 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)I 240690a_100000209980_100020647043 [0,1,0,0,0,0|2,0,0]=3 1916 B16R1.52 COCCOC(=O)CNc1cccc(c1)Br 34a_100000210019_200000040189 [0,1,0,0,0,0|2,0,1]=4 1917 B16R1.52 COCCOC(=O)CNc1cccc(c1)C 2230a_100000188690_200000040189 [0,1,0,0,0,0|2,0,1]=4 1918 B16R1.52 COCCOC(=O)CNc1cccc(c1)C 34a_100000188690_200000040189 [0,1,0,0,0,0|2,0,1]=4 1919 B16R1.52 COCCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_200000040189 [0,1,0,0,0,0|2,0,1]=4 1920 B16R1.52 COCCOC(=O)CNc1cccc(c1)F 34a_100000210047_200000040189 [0,1,0,0,0,0|2,0,1]=4 1921 B16R1.52 COCCOC(=O)CNc1cccc(c1)I 34a_100000211102_200000040189 [0,1,0,0,0,0|2,0,1]=4 1922 B16R1.52 COCCOC(=O)CNc1cccc(c1)O 34a_100000210217_200000040189 [0,1,0,0,0,0|2,0,1]=4 1923 B16R1.52 COCCOC(=O)COc1cccc(c1)Br 34a_100000210342_200000040189 [0,1,0,0,0,0|2,0,1]=4 1924 B16R1.52 COCCOC(=O)COc1cccc(c1)Br 7a_100000210342_200000040189 [0,1,0,0,0,0|2,0,1]=4 1925 B16R1.52 COCCOC(=O)COc1cccc(c1)C 34a_100000210337_200000040189 [0,1,0,0,0,0|2,0,1]=4 1926 B16R1.52 COCCOC(=O)COc1cccc(c1)C 7a_100000210337_200000040189 [0,1,0,0,0,0|2,0,1]=4 1927 B16R1.52 COCCOC(=O)COc1cccc(c1)Cl 34a_100000210295_200000040189 [0,1,0,0,0,0|2,0,1]=4 1928 B16R1.52 COCCOC(=O)COc1cccc(c1)Cl 7a_100000210295_200000040189 [0,1,0,0,0,0|2,0,1]=4 1929 B16R1.52 COCCOC(=O)COc1cccc(c1)F 34a_100000210426_200000040189 [0,1,0,0,0,0|2,0,1]=4 1930 B16R1.52 COCCOC(=O)COc1cccc(c1)F 7a_100000210426_200000040189 [0,1,0,0,0,0|2,0,1]=4 1931 B16R1.52 COCCOC(=O)COc1cccc(c1)I 34a_100000211634_200000040189 [0,1,0,0,0,0|2,0,1]=4 1932 B16R1.52 COCCOC(=O)COc1cccc(c1)I 7a_100000211634_200000040189 [0,1,0,0,0,0|2,0,1]=4 1933 B16R1.52 COCCOC(=O)COc1cccc(c1)N 34a_100000210217_200000040189 [0,1,0,0,0,0|2,0,1]=4 1934 B16R1.52 COCCOC(=O)CSc1cccc(c1)Br 62a_100000691529_200000040189 [0,1,0,0,0,0|2,0,1]=4 1935 B16R1.52 COCCOC(=O)CSc1cccc(c1)Br 62a_200000040189_100000691529 [0,1,0,0,0,0|2,0,1]=4 1936 B16R1.52 COCCOC(=O)CSc1cccc(c1)C 62a_100011215228_200000040189 [0,1,0,0,0,0|2,0,1]=4 1937 B16R1.52 COCCOC(=O)CSc1cccc(c1)C 62a_200000040189_100011215228 [0,1,0,0,0,0|2,0,1]=4 1938 B16R1.52 COCCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_200000040189 [0,1,0,0,0,0|2,0,1]=4 1939 B16R1.52 COCCOC(=O)CSc1cccc(c1)Cl 62a_200000040189_100000699651 [0,1,0,0,0,0|2,0,1]=4 1940 B16R1.52 COCCOC(=O)CSc1cccc(c1)F 62a_100000685547_200000040189 [0,1,0,0,0,0|2,0,1]=4 1941 B16R1.52 COCCOC(=O)CSc1cccc(c1)F 62a_200000040189_100000685547 [0,1,0,0,0,0|2,0,1]=4 1942 B16R1.52 COCCOC(=O)CSc1cccc(c1)N 62a_100000210019_200000040189 [0,1,0,0,0,0|2,0,1]=4 1943 B16R1.52 COCCOC(=O)CSc1cccc(c1)N 62a_200000040189_100000210019 [0,1,0,0,0,0|2,0,1]=4 1944 B16R1.52 COCCOC(=O)CSc1cccc(c1)O 62a_200000040189_100000211634 [0,1,0,0,0,0|2,0,1]=4 1945 B16R1.52 COCCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_200000040189 [0,1,0,0,0,0|2,0,1]=4 1946 B16R1.52 COCCOC(=O)CSc1cccc(c1)[S] 62a_200000040189_114929384022 [0,1,0,0,0,0|2,0,1]=4 1947 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011399439 [0,1,0,0,0,0|2,0,0]=3 1948 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011399439 [0,1,0,0,0,0|2,0,0]=3 1949 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011399439 [0,1,0,0,0,0|2,0,0]=3 1950 B16R1.52 CSCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011399439 [0,1,0,0,0,0|3,0,0]=4 1951 B16R1.52 CSCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011399439 [0,1,0,0,0,0|3,0,0]=4 1952 B16R1.52 CSCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011399439 [0,1,0,0,0,0|3,0,0]=4 1953 B16R1.52 CSCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011399439 [0,1,0,0,0,0|3,0,0]=4 1954 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 11a_100020590264_100016258244 [0,1,0,0,0,0|2,0,0]=3 1955 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020590264_100016258244 [0,1,0,0,0,0|2,0,0]=3 1956 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020590264_100016258244 [0,1,0,0,0,0|2,0,0]=3 1957 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 11a_100020590264_100000690095 [0,1,0,0,0,0|2,0,0]=3 1958 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 1626a_100020590264_100000690095 [0,1,0,0,0,0|2,0,0]=3 1959 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 240690a_100020590264_100000690095 [0,1,0,0,0,0|2,0,0]=3 1960 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020590264_100000184502 [0,1,0,0,0,0|2,0,0]=3 1961 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020590264_100000184502 [0,1,0,0,0,0|2,0,0]=3 1962 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020590264_100000184502 [0,1,0,0,0,0|2,0,0]=3 1963 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 11a_100020590264_100000718793 [0,1,0,0,0,0|2,0,0]=3 1964 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 1626a_100020590264_100000718793 [0,1,0,0,0,0|2,0,0]=3 1965 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 240690a_100020590264_100000718793 [0,1,0,0,0,0|2,0,0]=3 1966 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 11a_100020590264_100020647043 [0,1,0,0,0,0|2,0,0]=3 1967 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 1626a_100020590264_100020647043 [0,1,0,0,0,0|2,0,0]=3 1968 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 240690a_100020590264_100020647043 [0,1,0,0,0,0|2,0,0]=3 1969 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCC#N 1458a_100000690095_100000211468 [0,1,0,0,0,0|2,0,1]=4 1970 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCCF 1458a_100000690095_100000729493 [0,1,0,0,0,0|2,0,0]=3 1971 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCCO 1458a_100000690095_100000210776 [0,1,0,0,0,0|2,0,0]=3 1972 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCC#N 11a_100000720768_100000690095 [0,1,0,0,0,0|2,0,1]=4 1973 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCC#N 1626a_100000720768_100000690095 [0,1,0,0,0,0|2,0,1]=4 1974 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCC#N 240690a_100000720768_100000690095 [0,1,0,0,0,0|2,0,1]=4 1975 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 11a_100015189416_100000690095 [0,1,0,0,0,0|2,0,0]=3 1976 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 1626a_100015189416_100000690095 [0,1,0,0,0,0|2,0,0]=3 1977 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 240690a_100015189416_100000690095 [0,1,0,0,0,0|2,0,0]=3 1978 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCO 240690a_100000182051_100000690095 [0,1,0,0,0,0|2,0,0]=3 1979 B16R1.52 Cc1cccc(c1)C=CC(=O)NNCCO 22a_100000210001_100000690095 [0,1,0,0,0,0|3,0,0]=4 1980 B16R1.52 Cc1cncc(c1)C=CC(=O)CCCCBr 6a_100011998712_100009817362 [0,1,0,0,0,0|3,0,0]=4 1981 B16R1.52 Cc1cncc(c1)C=CC(=O)CCCCCl 6a_100011998712_100000735457 [0,1,0,0,0,0|3,0,0]=4 1982 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000211468 [0,1,0,0,0,0|2,0,1]=4 1983 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000211468 [0,1,0,0,0,0|2,0,1]=4 1984 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000211468 [0,1,0,0,0,0|2,0,1]=4 1985 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000211468 [0,1,0,0,0,0|2,0,1]=4 1986 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Br 11a_100000720768_100016258244 [0,1,0,0,0,0|2,0,1]=4 1987 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000720768_100016258244 [0,1,0,0,0,0|2,0,1]=4 1988 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000720768_100016258244 [0,1,0,0,0,0|2,0,1]=4 1989 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000720768_100000184502 [0,1,0,0,0,0|2,0,1]=4 1990 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000720768_100000184502 [0,1,0,0,0,0|2,0,1]=4 1991 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000720768_100000184502 [0,1,0,0,0,0|2,0,1]=4 1992 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)F 11a_100000720768_100000718793 [0,1,0,0,0,0|2,0,1]=4 1993 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)F 1626a_100000720768_100000718793 [0,1,0,0,0,0|2,0,1]=4 1994 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)F 240690a_100000720768_100000718793 [0,1,0,0,0,0|2,0,1]=4 1995 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)I 11a_100000720768_100020647043 [0,1,0,0,0,0|2,0,1]=4 1996 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)I 1626a_100000720768_100020647043 [0,1,0,0,0,0|2,0,1]=4 1997 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)I 240690a_100000720768_100020647043 [0,1,0,0,0,0|2,0,1]=4 1998 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCBr 6a_100000210085_100009817362 [0,1,0,0,0,0|2,0,0]=3 1999 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCCl 6a_100000210085_100000735457 [0,1,0,0,0,0|2,0,0]=3 2000 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCF 1458a_100016258244_100000729493 [0,1,0,0,0,0|2,0,0]=3 2001 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCO 1458a_100016258244_100000210776 [0,1,0,0,0,0|2,0,0]=3 2002 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 11a_100015189416_100016258244 [0,1,0,0,0,0|2,0,0]=3 2003 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 1626a_100015189416_100016258244 [0,1,0,0,0,0|2,0,0]=3 2004 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 240690a_100015189416_100016258244 [0,1,0,0,0,0|2,0,0]=3 2005 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCO 240690a_100000182051_100016258244 [0,1,0,0,0,0|2,0,0]=3 2006 B16R1.52 O=C(C=Cc1cccc(c1)Br)NNCCO 22a_100000210001_100016258244 [0,1,0,0,0,0|3,0,0]=4 2007 B16R1.52 O=C(C=Cc1cccc(c1)Cl)CCCCF 1458a_100000184502_100000729493 [0,1,0,0,0,0|2,0,0]=3 2008 B16R1.52 O=C(C=Cc1cccc(c1)Cl)CCCCO 1458a_100000184502_100000210776 [0,1,0,0,0,0|2,0,0]=3 2009 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 11a_100015189416_100000184502 [0,1,0,0,0,0|2,0,0]=3 2010 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 1626a_100015189416_100000184502 [0,1,0,0,0,0|2,0,0]=3 2011 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 240690a_100015189416_100000184502 [0,1,0,0,0,0|2,0,0]=3 2012 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO 240690a_100000182051_100000184502 [0,1,0,0,0,0|2,0,0]=3 2013 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NNCCO 22a_100000210001_100000184502 [0,1,0,0,0,0|3,0,0]=4 2014 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCBr 6a_100000210812_100009817362 [0,1,0,0,0,0|2,0,0]=3 2015 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCCl 6a_100000210812_100000735457 [0,1,0,0,0,0|2,0,0]=3 2016 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCF 1458a_100000718793_100000729493 [0,1,0,0,0,0|2,0,0]=3 2017 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCO 1458a_100000718793_100000210776 [0,1,0,0,0,0|2,0,0]=3 2018 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 11a_100015189416_100000718793 [0,1,0,0,0,0|2,0,0]=3 2019 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 1626a_100015189416_100000718793 [0,1,0,0,0,0|2,0,0]=3 2020 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 240690a_100015189416_100000718793 [0,1,0,0,0,0|2,0,0]=3 2021 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCO 240690a_100000182051_100000718793 [0,1,0,0,0,0|2,0,0]=3 2022 B16R1.52 O=C(C=Cc1cccc(c1)F)NNCCO 22a_100000210001_100000718793 [0,1,0,0,0,0|3,0,0]=4 2023 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCBr 6a_100000014684_100009817362 [0,1,0,0,0,0|2,0,0]=3 2024 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCCl 6a_100000014684_100000735457 [0,1,0,0,0,0|2,0,0]=3 2025 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCF 1458a_100020647043_100000729493 [0,1,0,0,0,0|2,0,0]=3 2026 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCO 1458a_100020647043_100000210776 [0,1,0,0,0,0|2,0,0]=3 2027 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 11a_100015189416_100020647043 [0,1,0,0,0,0|2,0,0]=3 2028 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 1626a_100015189416_100020647043 [0,1,0,0,0,0|2,0,0]=3 2029 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 240690a_100015189416_100020647043 [0,1,0,0,0,0|2,0,0]=3 2030 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCO 240690a_100000182051_100020647043 [0,1,0,0,0,0|2,0,0]=3 2031 B16R1.52 O=C(C=Cc1cccc(c1)I)NNCCO 22a_100000210001_100020647043 [0,1,0,0,0,0|3,0,0]=4 2032 B16R1.52 O=C(C=Cc1cccc(c1)O)NNCCO 22a_100000210001_100102525460 [0,1,0,0,0,0|3,0,0]=4 2033 B16R1.52 O=C(C=Cc1cncc(c1)Br)CCCCBr 6a_100000687066_100009817362 [0,1,0,0,0,0|3,0,0]=4 2034 B16R1.52 O=C(C=Cc1cncc(c1)Br)CCCCCl 6a_100000687066_100000735457 [0,1,0,0,0,0|3,0,0]=4 2035 B16R1.52 O=C(C=Cc1cncc(c1)Cl)CCCCBr 6a_100000088910_100009817362 [0,1,0,0,0,0|3,0,0]=4 2036 B16R1.52 O=C(C=Cc1cncc(c1)Cl)CCCCCl 6a_100000088910_100000735457 [0,1,0,0,0,0|3,0,0]=4 2037 B16R1.52 O=C(C=Cc1cncc(c1)F)CCCCBr 6a_100011361476_100009817362 [0,1,0,0,0,0|3,0,0]=4 2038 B16R1.52 O=C(C=Cc1cncc(c1)F)CCCCCl 6a_100011361476_100000735457 [0,1,0,0,0,0|3,0,0]=4 2039 B16R1.608 C=C(C)CNNC(=O)C=Cc1ccccc1 22a_100000729518_100000210462 [0,1,0,0,0,0|2,0,1]=4 2040 B16R1.608 CC(=CCCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100011217483 [0,1,0,0,0,0|1,0,2]=4 2041 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 11a_100000718196_100000210462 [0,1,0,0,0,0|1,0,2]=4 2042 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 1626a_100000718196_100000210462 [0,1,0,0,0,0|1,0,2]=4 2043 B16R1.608 CC(=NNCC(C)O)C=Cc1ccccc1 4a_200000730056_100000204604 [0,1,0,0,0,0|3,0,0]=4 2044 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215641 [0,1,0,0,0,0|1,0,1]=3 2045 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215641 [0,1,0,0,0,0|2,0,1]=4 2046 B16R1.608 CC(=O)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215641 [0,1,0,0,0,0|2,0,1]=4 2047 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215641 [0,1,0,0,0,0|2,0,1]=4 2048 B16R1.608 CC(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200000210301 [0,1,0,0,0,0|1,0,1]=3 2049 B16R1.608 CC(=O)NCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000189650 [0,1,0,0,0,0|2,0,1]=4 2050 B16R1.608 CC(=O)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100009814007 [0,1,0,0,0,0|2,0,1]=4 2051 B16R1.608 CC(C)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011214892 [0,1,0,0,0,0|1,0,2]=4 2052 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214892 [0,1,0,0,0,0|1,0,0]=2 2053 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214892 [0,1,0,0,0,0|2,0,0]=3 2054 B16R1.608 CC(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214892 [0,1,0,0,0,0|2,0,0]=3 2055 B16R1.608 CC(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214892 [0,1,0,0,0,0|2,0,0]=3 2056 B16R1.608 CC(C)CCCC(=O)C=Cc1cncnc1 6a_100000749868_100000753411 [0,1,0,0,0,0|3,0,0]=4 2057 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100000185753_100011214892 [0,1,0,0,0,0|1,0,2]=4 2058 B16R1.608 CC(C)CCCC(=O)CCc1ccccc1 1458a_100011216857_100000765856 [0,1,0,0,0,0|1,0,2]=4 2059 B16R1.608 CC(C)CCCC(=O)COc1ccccc1 1458a_100000186222_100011214892 [0,1,0,0,0,0|2,0,1]=4 2060 B16R1.608 CC(C)CCCC(=O)CSc1ccccc1 1458a_100000211596_100011214892 [0,1,0,0,0,0|2,0,1]=4 2061 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 11a_100015324214_100011216857 [0,1,0,0,0,0|2,0,1]=4 2062 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 1626a_100015324214_100011216857 [0,1,0,0,0,0|2,0,1]=4 2063 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 240690a_100015324214_100011216857 [0,1,0,0,0,0|2,0,1]=4 2064 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 527a_100015324214_100011216857 [0,1,0,0,0,0|2,0,1]=4 2065 B16R1.608 CC(C)CCCC(=O)NNc1ccccc1 22a_100015195140_100011216857 [0,1,0,0,0,0|3,0,0]=4 2066 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 240690a_100000210545_100000736102 [0,1,0,0,0,0|1,0,2]=4 2067 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 11a_100000210545_100000210462 [0,1,0,0,0,0|1,0,0]=2 2068 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 1626a_100000210545_100000210462 [0,1,0,0,0,0|1,0,0]=2 2069 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 11a_100000210545_100000740811 [0,1,0,0,0,0|2,0,0]=3 2070 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210545_100000740811 [0,1,0,0,0,0|2,0,0]=3 2071 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 11a_100000210545_100000735890 [0,1,0,0,0,0|2,0,0]=3 2072 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210545_100000735890 [0,1,0,0,0,0|2,0,0]=3 2073 B16R1.608 CC(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210545_100000682801 [0,1,0,0,0,0|2,0,0]=3 2074 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 11a_100000210545_100000185753 [0,1,0,0,0,0|1,0,2]=4 2075 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 1626a_100000210545_100000185753 [0,1,0,0,0,0|1,0,2]=4 2076 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 240690a_100000210545_100000185753 [0,1,0,0,0,0|1,0,2]=4 2077 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 527a_100000210545_100000185753 [0,1,0,0,0,0|1,0,2]=4 2078 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 11a_100000210545_100000186222 [0,1,0,0,0,0|2,0,1]=4 2079 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 1626a_100000210545_100000186222 [0,1,0,0,0,0|2,0,1]=4 2080 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 240690a_100000210545_100000186222 [0,1,0,0,0,0|2,0,1]=4 2081 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 527a_100000210545_100000186222 [0,1,0,0,0,0|2,0,1]=4 2082 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 11a_100000210545_100000211596 [0,1,0,0,0,0|2,0,1]=4 2083 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 1626a_100000210545_100000211596 [0,1,0,0,0,0|2,0,1]=4 2084 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 240690a_100000210545_100000211596 [0,1,0,0,0,0|2,0,1]=4 2085 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 527a_100000210545_100000211596 [0,1,0,0,0,0|2,0,1]=4 2086 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100000210545_100015324214 [0,1,0,0,0,0|2,0,1]=4 2087 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 2708a_100015324214_100000210545 [0,1,0,0,0,0|2,0,1]=4 2088 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100000210545_100015324214 [0,1,0,0,0,0|2,0,1]=4 2089 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 273464a_100015324214_100000210545 [0,1,0,0,0,0|2,0,1]=4 2090 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100000210545_100015324214 [0,1,0,0,0,0|2,0,1]=4 2091 B16R1.608 CC(C)CCNC(=O)NCc1ccccc1 512a_100015324214_100000210545 [0,1,0,0,0,0|2,0,1]=4 2092 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 273464a_100000210545_100015195140 [0,1,0,0,0,0|3,0,0]=4 2093 B16R1.608 CC(C)CCNC(=O)NNc1ccccc1 512a_100000210545_100015195140 [0,1,0,0,0,0|3,0,0]=4 2094 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccc1 22a_100000696102_100000210462 [0,1,0,0,0,0|2,0,0]=3 2095 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccn1 22a_100000696102_100000740811 [0,1,0,0,0,0|3,0,0]=4 2096 B16R1.608 CC(C)CNNC(=O)C=Cc1cccnc1 22a_100000696102_100000735890 [0,1,0,0,0,0|3,0,0]=4 2097 B16R1.608 CC(C)CNNC(=O)C=Cc1ccncc1 22a_100000696102_100000682801 [0,1,0,0,0,0|3,0,0]=4 2098 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211751 [0,1,0,0,0,0|2,0,0]=3 2099 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000211751 [0,1,0,0,0,0|3,0,0]=4 2100 B16R1.608 CC(C)OCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000211751 [0,1,0,0,0,0|3,0,0]=4 2101 B16R1.608 CC(C)OCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000211751 [0,1,0,0,0,0|3,0,0]=4 2102 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730970 [0,1,0,0,0,0|2,0,0]=3 2103 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730970 [0,1,0,0,0,0|3,0,0]=4 2104 B16R1.608 CC(C)SCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730970 [0,1,0,0,0,0|3,0,0]=4 2105 B16R1.608 CC(C)SCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730970 [0,1,0,0,0,0|3,0,0]=4 2106 B16R1.608 CC(O)CCCC(=O)C#Cc1ccccc1 1458a_100000736102_200000718107 [0,1,0,0,0,0|1,0,2]=4 2107 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000718107 [0,1,0,0,0,0|1,0,0]=2 2108 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_200000718107 [0,1,0,0,0,0|2,0,0]=3 2109 B16R1.608 CC(O)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_200000718107 [0,1,0,0,0,0|2,0,0]=3 2110 B16R1.608 CC(O)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_200000718107 [0,1,0,0,0,0|2,0,0]=3 2111 B16R1.608 CC(O)CCCC(=O)CCc1ccccc1 1458a_100000185753_200000718107 [0,1,0,0,0,0|1,0,2]=4 2112 B16R1.608 CC(O)CCCC(=O)COc1ccccc1 1458a_100000186222_200000718107 [0,1,0,0,0,0|2,0,1]=4 2113 B16R1.608 CC(O)CCCC(=O)CSc1ccccc1 1458a_100000211596_200000718107 [0,1,0,0,0,0|2,0,1]=4 2114 B16R1.608 CC(O)CCCC(=O)NCc1ccccc1 1626a_100015324214_100000761597 [0,1,0,0,0,0|2,0,1]=4 2115 B16R1.608 CC(O)CCCC(=O)NCc1ccccc1 527a_100015324214_100000761597 [0,1,0,0,0,0|2,0,1]=4 2116 B16R1.608 CC(O)CCCC(=O)NNc1ccccc1 22a_100015195140_100000761597 [0,1,0,0,0,0|3,0,0]=4 2117 B16R1.608 CC(O)CCNC(=O)C#Cc1ccccc1 240690a_200000755665_100000736102 [0,1,0,0,0,0|1,0,2]=4 2118 B16R1.608 CC(O)CCNC(=O)C=Cc1ccccn1 240690a_200000755665_100000740811 [0,1,0,0,0,0|2,0,0]=3 2119 B16R1.608 CC(O)CCNC(=O)C=Cc1cccnc1 240690a_200000755665_100000735890 [0,1,0,0,0,0|2,0,0]=3 2120 B16R1.608 CC(O)CCNC(=O)C=Cc1ccncc1 240690a_200000755665_100000682801 [0,1,0,0,0,0|2,0,0]=3 2121 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 240690a_200000755665_100000185753 [0,1,0,0,0,0|1,0,2]=4 2122 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 527a_200000755665_100000185753 [0,1,0,0,0,0|1,0,2]=4 2123 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 240690a_200000755665_100000186222 [0,1,0,0,0,0|2,0,1]=4 2124 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 527a_200000755665_100000186222 [0,1,0,0,0,0|2,0,1]=4 2125 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 240690a_200000755665_100000211596 [0,1,0,0,0,0|2,0,1]=4 2126 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 527a_200000755665_100000211596 [0,1,0,0,0,0|2,0,1]=4 2127 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 2708a_100015324214_200000755665 [0,1,0,0,0,0|2,0,1]=4 2128 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 273464a_200000755665_100015324214 [0,1,0,0,0,0|2,0,1]=4 2129 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_100015324214_200000755665 [0,1,0,0,0,0|2,0,1]=4 2130 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_200000755665_100015324214 [0,1,0,0,0,0|2,0,1]=4 2131 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 273464a_200000755665_100015195140 [0,1,0,0,0,0|3,0,0]=4 2132 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 512a_200000755665_100015195140 [0,1,0,0,0,0|3,0,0]=4 2133 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccc1 22a_200000730056_100000210462 [0,1,0,0,0,0|2,0,0]=3 2134 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccn1 22a_200000730056_100000740811 [0,1,0,0,0,0|3,0,0]=4 2135 B16R1.608 CC(O)CNNC(=O)C=Cc1cccnc1 22a_200000730056_100000735890 [0,1,0,0,0,0|3,0,0]=4 2136 B16R1.608 CC(O)CNNC(=O)C=Cc1ccncc1 22a_200000730056_100000682801 [0,1,0,0,0,0|3,0,0]=4 2137 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000695564 [0,1,0,0,0,0|2,0,0]=3 2138 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000695564 [0,1,0,0,0,0|3,0,0]=4 2139 B16R1.608 CN(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000695564 [0,1,0,0,0,0|3,0,0]=4 2140 B16R1.608 CN(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000695564 [0,1,0,0,0,0|3,0,0]=4 2141 B16R1.608 CN(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210585_100000740811 [0,1,0,0,0,0|3,0,0]=4 2142 B16R1.608 CN(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210585_100000735890 [0,1,0,0,0,0|3,0,0]=4 2143 B16R1.608 CN(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210585_100000682801 [0,1,0,0,0,0|3,0,0]=4 2144 B16R1.608 NC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100102525003 [0,1,0,0,0,0|2,0,1]=4 2145 B16R1.608 NC(=O)CCNC(=O)C=Cc1ccccc1 11a_100000740010_100000210462 [0,1,0,0,0,0|2,0,1]=4 2146 B16R1.608 [13CH3]C(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200025704644 [0,1,0,0,0,0|1,0,1]=3 2147 B16R1.688 C#CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100010269958 [0,1,0,0,0,0|1,0,1]=3 2148 B16R1.688 C#CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100010269958 [0,1,0,0,0,0|2,0,1]=4 2149 B16R1.688 C#CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100010269958 [0,1,0,0,0,0|2,0,1]=4 2150 B16R1.688 C#CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100010269958 [0,1,0,0,0,0|2,0,1]=4 2151 B16R1.688 C#CCCCNC(=O)C=Cc1ccccc1 11a_100000718082_100000210462 [0,1,0,0,0,0|1,0,1]=3 2152 B16R1.688 C#CCCCNC(=O)C=Cc1ccccc1 1626a_100000718082_100000210462 [0,1,0,0,0,0|1,0,1]=3 2153 B16R1.688 C#CCCCNC(=O)C=Cc1ccccn1 11a_100000718082_100000740811 [0,1,0,0,0,0|2,0,1]=4 2154 B16R1.688 C#CCCCNC(=O)C=Cc1ccccn1 240690a_100000718082_100000740811 [0,1,0,0,0,0|2,0,1]=4 2155 B16R1.688 C#CCCCNC(=O)C=Cc1cccnc1 11a_100000718082_100000735890 [0,1,0,0,0,0|2,0,1]=4 2156 B16R1.688 C#CCCCNC(=O)C=Cc1cccnc1 240690a_100000718082_100000735890 [0,1,0,0,0,0|2,0,1]=4 2157 B16R1.688 C#CCCCNC(=O)C=Cc1ccncc1 240690a_100000718082_100000682801 [0,1,0,0,0,0|2,0,1]=4 2158 B16R1.688 C#CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100010402529 [0,1,0,0,0,0|1,0,2]=4 2159 B16R1.688 C=CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215482 [0,1,0,0,0,0|1,0,1]=3 2160 B16R1.688 C=CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215482 [0,1,0,0,0,0|2,0,1]=4 2161 B16R1.688 C=CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215482 [0,1,0,0,0,0|2,0,1]=4 2162 B16R1.688 C=CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215482 [0,1,0,0,0,0|2,0,1]=4 2163 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 11a_100000700776_100000210462 [0,1,0,0,0,0|1,0,1]=3 2164 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 1626a_100000700776_100000210462 [0,1,0,0,0,0|1,0,1]=3 2165 B16R1.688 C=CCCCNC(=O)C=Cc1ccccn1 11a_100000700776_100000740811 [0,1,0,0,0,0|2,0,1]=4 2166 B16R1.688 C=CCCCNC(=O)C=Cc1ccccn1 240690a_100000700776_100000740811 [0,1,0,0,0,0|2,0,1]=4 2167 B16R1.688 C=CCCCNC(=O)C=Cc1cccnc1 11a_100000700776_100000735890 [0,1,0,0,0,0|2,0,1]=4 2168 B16R1.688 C=CCCCNC(=O)C=Cc1cccnc1 240690a_100000700776_100000735890 [0,1,0,0,0,0|2,0,1]=4 2169 B16R1.688 C=CCCCNC(=O)C=Cc1ccncc1 240690a_100000700776_100000682801 [0,1,0,0,0,0|2,0,1]=4 2170 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccccc1 1458a_100000210462_100015370543 [0,1,0,0,0,0|1,0,1]=3 2171 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccccn1 1458a_100000740811_100015370543 [0,1,0,0,0,0|2,0,1]=4 2172 B16R1.688 CC/C=C\CCC(=O)C=Cc1cccnc1 1458a_100000735890_100015370543 [0,1,0,0,0,0|2,0,1]=4 2173 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccncc1 1458a_100000682801_100015370543 [0,1,0,0,0,0|2,0,1]=4 2174 B16R1.688 CCCCC=CC(=O)CCc1ccccc1 1458a_100016266645_100000765856 [0,1,0,0,0,0|1,0,2]=4 2175 B16R1.688 CCCCC=CC(=O)NCc1ccccc1 11a_100015324214_100016266645 [0,1,0,0,0,0|2,0,1]=4 2176 B16R1.688 CCCCC=CC(=O)NCc1ccccc1 1626a_100015324214_100016266645 [0,1,0,0,0,0|2,0,1]=4 2177 B16R1.688 CCCCC=CC(=O)NCc1ccccc1 240690a_100015324214_100016266645 [0,1,0,0,0,0|2,0,1]=4 2178 B16R1.688 CCCCC=CC(=O)NNc1ccccc1 22a_100015195140_100016266645 [0,1,0,0,0,0|3,0,0]=4 2179 B16R1.688 CCCCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210757 [0,1,0,0,0,0|1,0,2]=4 2180 B16R1.688 CCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210757 [0,1,0,0,0,0|1,0,0]=2 2181 B16R1.688 CCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210757 [0,1,0,0,0,0|2,0,0]=3 2182 B16R1.688 CCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210757 [0,1,0,0,0,0|2,0,0]=3 2183 B16R1.688 CCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210757 [0,1,0,0,0,0|2,0,0]=3 2184 B16R1.688 CCCCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000210989 [0,1,0,0,0,0|3,0,0]=4 2185 B16R1.688 CCCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210757 [0,1,0,0,0,0|1,0,2]=4 2186 B16R1.688 CCCCCCC(=O)CCc1ccccc1 1458a_100102632555_100000765856 [0,1,0,0,0,0|1,0,2]=4 2187 B16R1.688 CCCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210757 [0,1,0,0,0,0|2,0,1]=4 2188 B16R1.688 CCCCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210757 [0,1,0,0,0,0|2,0,1]=4 2189 B16R1.688 CCCCCCC(=O)NCc1ccccc1 11a_100015324214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2190 B16R1.688 CCCCCCC(=O)NCc1ccccc1 1626a_100015324214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2191 B16R1.688 CCCCCCC(=O)NCc1ccccc1 240690a_100015324214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2192 B16R1.688 CCCCCCC(=O)NCc1ccccc1 527a_100015324214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2193 B16R1.688 CCCCCCC(=O)NNc1ccccc1 22a_100015195140_100102632555 [0,1,0,0,0,0|3,0,0]=4 2194 B16R1.688 CCCCCNC(=O)C#Cc1ccccc1 240690a_100000209983_100000736102 [0,1,0,0,0,0|1,0,2]=4 2195 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 11a_100000209983_100000210462 [0,1,0,0,0,0|1,0,0]=2 2196 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 1626a_100000209983_100000210462 [0,1,0,0,0,0|1,0,0]=2 2197 B16R1.688 CCCCCNC(=O)C=Cc1ccccn1 11a_100000209983_100000740811 [0,1,0,0,0,0|2,0,0]=3 2198 B16R1.688 CCCCCNC(=O)C=Cc1ccccn1 240690a_100000209983_100000740811 [0,1,0,0,0,0|2,0,0]=3 2199 B16R1.688 CCCCCNC(=O)C=Cc1cccnc1 11a_100000209983_100000735890 [0,1,0,0,0,0|2,0,0]=3 2200 B16R1.688 CCCCCNC(=O)C=Cc1cccnc1 240690a_100000209983_100000735890 [0,1,0,0,0,0|2,0,0]=3 2201 B16R1.688 CCCCCNC(=O)C=Cc1ccncc1 240690a_100000209983_100000682801 [0,1,0,0,0,0|2,0,0]=3 2202 B16R1.688 CCCCCNC(=O)CCc1ccccc1 11a_100000209983_100000185753 [0,1,0,0,0,0|1,0,2]=4 2203 B16R1.688 CCCCCNC(=O)CCc1ccccc1 1626a_100000209983_100000185753 [0,1,0,0,0,0|1,0,2]=4 2204 B16R1.688 CCCCCNC(=O)CCc1ccccc1 240690a_100000209983_100000185753 [0,1,0,0,0,0|1,0,2]=4 2205 B16R1.688 CCCCCNC(=O)CCc1ccccc1 527a_100000209983_100000185753 [0,1,0,0,0,0|1,0,2]=4 2206 B16R1.688 CCCCCNC(=O)CNc1ccccc1 34a_100000106764_100000230301 [0,1,0,0,0,0|2,0,1]=4 2207 B16R1.688 CCCCCNC(=O)COc1ccccc1 11a_100000209983_100000186222 [0,1,0,0,0,0|2,0,1]=4 2208 B16R1.688 CCCCCNC(=O)COc1ccccc1 1626a_100000209983_100000186222 [0,1,0,0,0,0|2,0,1]=4 2209 B16R1.688 CCCCCNC(=O)COc1ccccc1 240690a_100000209983_100000186222 [0,1,0,0,0,0|2,0,1]=4 2210 B16R1.688 CCCCCNC(=O)COc1ccccc1 34a_100000210340_100000230301 [0,1,0,0,0,0|2,0,1]=4 2211 B16R1.688 CCCCCNC(=O)COc1ccccc1 527a_100000209983_100000186222 [0,1,0,0,0,0|2,0,1]=4 2212 B16R1.688 CCCCCNC(=O)COc1ccccc1 7a_100000210340_100000230301 [0,1,0,0,0,0|2,0,1]=4 2213 B16R1.688 CCCCCNC(=O)CSc1ccccc1 11a_100000209983_100000211596 [0,1,0,0,0,0|2,0,1]=4 2214 B16R1.688 CCCCCNC(=O)CSc1ccccc1 1626a_100000209983_100000211596 [0,1,0,0,0,0|2,0,1]=4 2215 B16R1.688 CCCCCNC(=O)CSc1ccccc1 240690a_100000209983_100000211596 [0,1,0,0,0,0|2,0,1]=4 2216 B16R1.688 CCCCCNC(=O)CSc1ccccc1 527a_100000209983_100000211596 [0,1,0,0,0,0|2,0,1]=4 2217 B16R1.688 CCCCCNC(=O)CSc1ccccc1 62a_100000230301_100000041952 [0,1,0,0,0,0|2,0,1]=4 2218 B16R1.688 CCCCCNC(=O)CSc1ccccc1 62a_100000719477_100000230301 [0,1,0,0,0,0|2,0,1]=4 2219 B16R1.688 CCCCCNC(=O)NCc1ccccc1 2708a_100000209983_100015324214 [0,1,0,0,0,0|2,0,1]=4 2220 B16R1.688 CCCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000209983 [0,1,0,0,0,0|2,0,1]=4 2221 B16R1.688 CCCCCNC(=O)NCc1ccccc1 273464a_100000209983_100015324214 [0,1,0,0,0,0|2,0,1]=4 2222 B16R1.688 CCCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000209983 [0,1,0,0,0,0|2,0,1]=4 2223 B16R1.688 CCCCCNC(=O)NCc1ccccc1 512a_100000209983_100015324214 [0,1,0,0,0,0|2,0,1]=4 2224 B16R1.688 CCCCCNC(=O)NCc1ccccc1 512a_100015324214_100000209983 [0,1,0,0,0,0|2,0,1]=4 2225 B16R1.688 CCCCCNC(=O)NNc1ccccc1 273464a_100000209983_100015195140 [0,1,0,0,0,0|3,0,0]=4 2226 B16R1.688 CCCCCNC(=O)NNc1ccccc1 512a_100000209983_100015195140 [0,1,0,0,0,0|3,0,0]=4 2227 B16R1.688 CCCCNCC(=O)CCc1ccccc1 2230a_100000102301_100012361361 [0,1,0,0,0,0|1,0,2]=4 2228 B16R1.688 CCCCNCC(=O)CCc1ccccc1 7a_106832991798_100012361361 [0,1,0,0,0,0|1,0,2]=4 2229 B16R1.688 CCCCNCC(=O)NCc1ccccc1 2230a_100000102301_100000183539 [0,1,0,0,0,0|2,0,1]=4 2230 B16R1.688 CCCCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210211 [0,1,0,0,0,0|2,0,1]=4 2231 B16R1.688 CCCCNCC(=O)NCc1ccccc1 7a_106832991798_100000183539 [0,1,0,0,0,0|2,0,1]=4 2232 B16R1.688 CCCCNCC(=O)OCc1ccccc1 2230a_100000102301_100000753625 [0,1,0,0,0,0|2,0,1]=4 2233 B16R1.688 CCCCNCC(=O)OCc1ccccc1 7a_106832991798_100000753625 [0,1,0,0,0,0|2,0,1]=4 2234 B16R1.688 CCCCNN=C(C)C=Cc1ccccc1 4a_100025702795_100000204604 [0,1,0,0,0,0|2,0,0]=3 2235 B16R1.688 CCCCNN=C(C)C=Cc1ccccn1 4a_100025702795_100102710650 [0,1,0,0,0,0|3,0,0]=4 2236 B16R1.688 CCCCNNC(=O)C#Cc1ccccc1 22a_100025702795_100000736102 [0,1,0,0,0,0|1,0,2]=4 2237 B16R1.688 CCCCNNC(=O)C=Cc1ccccc1 22a_100025702795_100000210462 [0,1,0,0,0,0|1,0,0]=2 2238 B16R1.688 CCCCNNC(=O)C=Cc1ccccn1 22a_100025702795_100000740811 [0,1,0,0,0,0|2,0,0]=3 2239 B16R1.688 CCCCNNC(=O)C=Cc1cccnc1 22a_100025702795_100000735890 [0,1,0,0,0,0|2,0,0]=3 2240 B16R1.688 CCCCNNC(=O)C=Cc1ccncc1 22a_100025702795_100000682801 [0,1,0,0,0,0|2,0,0]=3 2241 B16R1.688 CCCCNNC(=O)CCc1ccccc1 22a_100025702795_100000185753 [0,1,0,0,0,0|1,0,2]=4 2242 B16R1.688 CCCCNNC(=O)COc1ccccc1 22a_100025702795_100000186222 [0,1,0,0,0,0|2,0,1]=4 2243 B16R1.688 CCCCNNC(=O)CSc1ccccc1 22a_100025702795_100000211596 [0,1,0,0,0,0|2,0,1]=4 2244 B16R1.688 CCCCNNC(=O)NCc1ccccc1 273464a_100015324214_100025702795 [0,1,0,0,0,0|2,0,1]=4 2245 B16R1.688 CCCCNNC(=O)NCc1ccccc1 512a_100015324214_100025702795 [0,1,0,0,0,0|2,0,1]=4 2246 B16R1.688 CCCCNNC(=O)NCc1ccccc1 512a_100025702795_100015324214 [0,1,0,0,0,0|2,0,1]=4 2247 B16R1.688 CCCCNNC(=O)NNc1ccccc1 512a_100025702795_100015195140 [0,1,0,0,0,0|3,0,0]=4 2248 B16R1.688 CCCCOCC(=O)C#Cc1ccccc1 1458a_100000736102_100011995733 [0,1,0,0,0,0|0,0,2]=3 2249 B16R1.688 CCCCOCC(=O)C#Cc1ccccn1 1458a_102125277312_100011995733 [0,1,0,0,0,0|1,0,2]=4 2250 B16R1.688 CCCCOCC(=O)C=Cc1ccccc1 1458a_100000210462_100011995733 [0,1,0,0,0,0|0,0,0]=1 2251 B16R1.688 CCCCOCC(=O)C=Cc1ccccn1 1458a_100000740811_100011995733 [0,1,0,0,0,0|1,0,0]=2 2252 B16R1.688 CCCCOCC(=O)C=Cc1cccnc1 1458a_100000735890_100011995733 [0,1,0,0,0,0|1,0,0]=2 2253 B16R1.688 CCCCOCC(=O)C=Cc1ccncc1 1458a_100000682801_100011995733 [0,1,0,0,0,0|1,0,0]=2 2254 B16R1.688 CCCCOCC(=O)CCc1ccccc1 1458a_100000185753_100011995733 [0,1,0,0,0,0|0,0,2]=3 2255 B16R1.688 CCCCOCC(=O)CCc1ccccc1 1458a_100000757543_100000765856 [0,1,0,0,0,0|0,0,2]=3 2256 B16R1.688 CCCCOCC(=O)CCc1ccccc1 34a_100000210227_100012361361 [0,1,0,0,0,0|0,0,2]=3 2257 B16R1.688 CCCCOCC(=O)CCc1ccccc1 7a_100000210227_100012361361 [0,1,0,0,0,0|0,0,2]=3 2258 B16R1.688 CCCCOCC(=O)CCc1ccccn1 1458a_100000757543_100015183660 [0,1,0,0,0,0|1,0,2]=4 2259 B16R1.688 CCCCOCC(=O)CCc1ccccn1 1458a_100015195070_100011995733 [0,1,0,0,0,0|1,0,2]=4 2260 B16R1.688 CCCCOCC(=O)CCc1cccnc1 1458a_100000198484_100011995733 [0,1,0,0,0,0|1,0,2]=4 2261 B16R1.688 CCCCOCC(=O)CCc1cccnc1 1458a_100000757543_200011713674 [0,1,0,0,0,0|1,0,2]=4 2262 B16R1.688 CCCCOCC(=O)CCc1ccncc1 1458a_100000757543_100000723409 [0,1,0,0,0,0|1,0,2]=4 2263 B16R1.688 CCCCOCC(=O)CCc1ccncc1 1458a_100011225043_100011995733 [0,1,0,0,0,0|1,0,2]=4 2264 B16R1.688 CCCCOCC(=O)COc1ccccc1 1458a_100000186222_100011995733 [0,1,0,0,0,0|1,0,1]=3 2265 B16R1.688 CCCCOCC(=O)COc1ccccn1 1458a_100102699861_100011995733 [0,1,0,0,0,0|2,0,1]=4 2266 B16R1.688 CCCCOCC(=O)COc1cccnc1 1458a_100015207166_100011995733 [0,1,0,0,0,0|2,0,1]=4 2267 B16R1.688 CCCCOCC(=O)CSc1ccccc1 1458a_100000211596_100011995733 [0,1,0,0,0,0|1,0,1]=3 2268 B16R1.688 CCCCOCC(=O)CSc1ccccn1 1458a_100000156281_100011995733 [0,1,0,0,0,0|2,0,1]=4 2269 B16R1.688 CCCCOCC(=O)CSc1ccncc1 1458a_100000211328_100011995733 [0,1,0,0,0,0|2,0,1]=4 2270 B16R1.688 CCCCOCC(=O)NCc1ccccc1 11a_100015324214_100000757543 [0,1,0,0,0,0|1,0,1]=3 2271 B16R1.688 CCCCOCC(=O)NCc1ccccc1 1626a_100015324214_100000757543 [0,1,0,0,0,0|1,0,1]=3 2272 B16R1.688 CCCCOCC(=O)NCc1ccccc1 240690a_100015324214_100000757543 [0,1,0,0,0,0|1,0,1]=3 2273 B16R1.688 CCCCOCC(=O)NCc1ccccc1 34a_100000210227_100000183539 [0,1,0,0,0,0|1,0,1]=3 2274 B16R1.688 CCCCOCC(=O)NCc1ccccc1 527a_100015324214_100000757543 [0,1,0,0,0,0|1,0,1]=3 2275 B16R1.688 CCCCOCC(=O)NCc1ccccc1 7a_100000210227_100000183539 [0,1,0,0,0,0|1,0,1]=3 2276 B16R1.688 CCCCOCC(=O)NCc1ccccn1 11a_100000210449_100000757543 [0,1,0,0,0,0|2,0,1]=4 2277 B16R1.688 CCCCOCC(=O)NCc1ccccn1 1626a_100000210449_100000757543 [0,1,0,0,0,0|2,0,1]=4 2278 B16R1.688 CCCCOCC(=O)NCc1ccccn1 240690a_100000210449_100000757543 [0,1,0,0,0,0|2,0,1]=4 2279 B16R1.688 CCCCOCC(=O)NCc1ccccn1 34a_100000210227_100000684169 [0,1,0,0,0,0|2,0,1]=4 2280 B16R1.688 CCCCOCC(=O)NCc1ccccn1 527a_100000210449_100000757543 [0,1,0,0,0,0|2,0,1]=4 2281 B16R1.688 CCCCOCC(=O)NCc1ccccn1 7a_100000210227_100000684169 [0,1,0,0,0,0|2,0,1]=4 2282 B16R1.688 CCCCOCC(=O)NCc1cccnc1 11a_100000210453_100000757543 [0,1,0,0,0,0|2,0,1]=4 2283 B16R1.688 CCCCOCC(=O)NCc1cccnc1 240690a_100000210453_100000757543 [0,1,0,0,0,0|2,0,1]=4 2284 B16R1.688 CCCCOCC(=O)NCc1cccnc1 527a_100000210453_100000757543 [0,1,0,0,0,0|2,0,1]=4 2285 B16R1.688 CCCCOCC(=O)NCc1cccnc1 7a_100000210227_100000752408 [0,1,0,0,0,0|2,0,1]=4 2286 B16R1.688 CCCCOCC(=O)NCc1ccncc1 11a_100000210450_100000757543 [0,1,0,0,0,0|2,0,1]=4 2287 B16R1.688 CCCCOCC(=O)NCc1ccncc1 1626a_100000210450_100000757543 [0,1,0,0,0,0|2,0,1]=4 2288 B16R1.688 CCCCOCC(=O)NCc1ccncc1 240690a_100000210450_100000757543 [0,1,0,0,0,0|2,0,1]=4 2289 B16R1.688 CCCCOCC(=O)NCc1ccncc1 527a_100000210450_100000757543 [0,1,0,0,0,0|2,0,1]=4 2290 B16R1.688 CCCCOCC(=O)NCc1ccncc1 7a_100000210227_100011243468 [0,1,0,0,0,0|2,0,1]=4 2291 B16R1.688 CCCCOCC(=O)NNc1ccccc1 22a_100015195140_100000757543 [0,1,0,0,0,0|2,0,0]=3 2292 B16R1.688 CCCCOCC(=O)NNc1ccccn1 22a_100000183288_100000757543 [0,1,0,0,0,0|3,0,0]=4 2293 B16R1.688 CCCCOCC(=O)NNc1cccnc1 22a_100000728903_100000757543 [0,1,0,0,0,0|3,0,0]=4 2294 B16R1.688 CCCCOCC(=O)NNc1ccncc1 22a_100000698918_100000757543 [0,1,0,0,0,0|3,0,0]=4 2295 B16R1.688 CCCCOCC(=O)OCc1ccccc1 34a_100000210227_100000753625 [0,1,0,0,0,0|1,0,1]=3 2296 B16R1.688 CCCCOCC(=O)OCc1ccccc1 7a_100000210227_100000753625 [0,1,0,0,0,0|1,0,1]=3 2297 B16R1.688 CCCCSCC(=O)CCc1ccccc1 1458a_100000191162_100000765856 [0,1,0,0,0,0|0,1,2]=4 2298 B16R1.688 CCCCSCC(=O)CCc1ccccc1 62a_100000210211_100012361361 [0,1,0,0,0,0|0,1,2]=4 2299 B16R1.688 CCCCSCC(=O)CCc1ccccc1 62a_100012361361_100000210210 [0,1,0,0,0,0|0,1,2]=4 2300 B16R1.688 CCCCSCC(=O)NCc1ccccc1 11a_100015324214_100000191162 [0,1,0,0,0,0|1,1,1]=4 2301 B16R1.688 CCCCSCC(=O)NCc1ccccc1 1626a_100015324214_100000191162 [0,1,0,0,0,0|1,1,1]=4 2302 B16R1.688 CCCCSCC(=O)NCc1ccccc1 240690a_100015324214_100000191162 [0,1,0,0,0,0|1,1,1]=4 2303 B16R1.688 CCCCSCC(=O)NCc1ccccc1 527a_100015324214_100000191162 [0,1,0,0,0,0|1,1,1]=4 2304 B16R1.688 CCCCSCC(=O)NCc1ccccc1 62a_100000183539_100000210210 [0,1,0,0,0,0|1,1,1]=4 2305 B16R1.688 CCCCSCC(=O)NCc1ccccc1 62a_100000210211_100000183539 [0,1,0,0,0,0|1,1,1]=4 2306 B16R1.688 CCCCSCC(=O)NNc1ccccc1 22a_100015195140_100000191162 [0,1,0,0,0,0|2,1,0]=4 2307 B16R1.688 CCCCSCC(=O)OCc1ccccc1 62a_100000210211_100000753625 [0,1,0,0,0,0|1,1,1]=4 2308 B16R1.688 CCCCSCC(=O)OCc1ccccc1 62a_100000753625_100000210210 [0,1,0,0,0,0|1,1,1]=4 2309 B16R1.688 CCCNCCC(=O)NCc1ccccc1 2230a_100025741942_100000210303 [0,1,0,0,0,0|2,0,1]=4 2310 B16R1.688 CCCNCCC(=O)NCc1ccccc1 34a_100025741942_100000210303 [0,1,0,0,0,0|2,0,1]=4 2311 B16R1.688 CCCOCCC(=O)C#Cc1ccccc1 1458a_100000736102_100011215938 [0,1,0,0,0,0|1,0,2]=4 2312 B16R1.688 CCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215938 [0,1,0,0,0,0|1,0,0]=2 2313 B16R1.688 CCCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215938 [0,1,0,0,0,0|2,0,0]=3 2314 B16R1.688 CCCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215938 [0,1,0,0,0,0|2,0,0]=3 2315 B16R1.688 CCCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215938 [0,1,0,0,0,0|2,0,0]=3 2316 B16R1.688 CCCOCCC(=O)CCc1ccccc1 1458a_100000185753_100011215938 [0,1,0,0,0,0|1,0,2]=4 2317 B16R1.688 CCCOCCC(=O)COc1ccccc1 1458a_100000186222_100011215938 [0,1,0,0,0,0|2,0,1]=4 2318 B16R1.688 CCCOCCC(=O)CSc1ccccc1 1458a_100000211596_100011215938 [0,1,0,0,0,0|2,0,1]=4 2319 B16R1.688 CCCOCCC(=O)OCc1ccccc1 7a_100009831632_100000210303 [0,1,0,0,0,0|2,0,1]=4 2320 B16R1.688 CCCSCCC(=O)OCc1ccccc1 62a_100000210303_100009813219 [0,1,0,0,0,0|2,0,1]=4 2321 B16R1.688 CCCSCCC(=O)OCc1ccccc1 62a_100009813219_100000210303 [0,1,0,0,0,0|2,0,1]=4 2322 B16R1.688 CCNCCCC(=O)C=Cc1cncnc1 6a_100000749868_100015204191 [0,1,0,0,0,0|3,0,0]=4 2323 B16R1.688 CCNCCCC(=O)OCc1ccccc1 2230a_100015525214_100009813218 [0,1,0,0,0,0|2,0,1]=4 2324 B16R1.688 CCNCCNC(=O)OCc1ccccc1 2230a_100015525214_100012357035 [0,1,0,0,0,0|2,0,1]=4 2325 B16R1.688 CCOCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100012232248 [0,1,0,0,0,0|1,0,2]=4 2326 B16R1.688 CCOCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100012232248 [0,1,0,0,0,0|1,0,0]=2 2327 B16R1.688 CCOCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100012232248 [0,1,0,0,0,0|2,0,0]=3 2328 B16R1.688 CCOCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100012232248 [0,1,0,0,0,0|2,0,0]=3 2329 B16R1.688 CCOCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100012232248 [0,1,0,0,0,0|2,0,0]=3 2330 B16R1.688 CCOCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000759496 [0,1,0,0,0,0|3,0,0]=4 2331 B16R1.688 CCOCCCC(=O)CCc1ccccc1 1458a_100000185753_100012232248 [0,1,0,0,0,0|1,0,2]=4 2332 B16R1.688 CCOCCCC(=O)COc1ccccc1 1458a_100000186222_100012232248 [0,1,0,0,0,0|2,0,1]=4 2333 B16R1.688 CCOCCCC(=O)CSc1ccccc1 1458a_100000211596_100012232248 [0,1,0,0,0,0|2,0,1]=4 2334 B16R1.688 CCOCCCC(=O)OCc1ccccc1 34a_100121572206_100009813218 [0,1,0,0,0,0|2,0,1]=4 2335 B16R1.688 CCOCCCC(=O)OCc1ccccc1 7a_100009831633_100000210202 [0,1,0,0,0,0|2,0,1]=4 2336 B16R1.688 CCOCCNC(=O)C#Cc1ccccc1 240690a_100011200944_100000736102 [0,1,0,0,0,0|1,0,2]=4 2337 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 11a_100011200944_100000210462 [0,1,0,0,0,0|1,0,0]=2 2338 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 1626a_102516460346_100000210462 [0,1,0,0,0,0|1,0,0]=2 2339 B16R1.688 CCOCCNC(=O)C=Cc1ccccn1 11a_100011200944_100000740811 [0,1,0,0,0,0|2,0,0]=3 2340 B16R1.688 CCOCCNC(=O)C=Cc1ccccn1 240690a_100011200944_100000740811 [0,1,0,0,0,0|2,0,0]=3 2341 B16R1.688 CCOCCNC(=O)C=Cc1cccnc1 11a_100011200944_100000735890 [0,1,0,0,0,0|2,0,0]=3 2342 B16R1.688 CCOCCNC(=O)C=Cc1cccnc1 240690a_100011200944_100000735890 [0,1,0,0,0,0|2,0,0]=3 2343 B16R1.688 CCOCCNC(=O)C=Cc1ccncc1 240690a_100011200944_100000682801 [0,1,0,0,0,0|2,0,0]=3 2344 B16R1.688 CCOCCNC(=O)CCc1ccccc1 11a_100011200944_100000185753 [0,1,0,0,0,0|1,0,2]=4 2345 B16R1.688 CCOCCNC(=O)CCc1ccccc1 1626a_102516460346_100000185753 [0,1,0,0,0,0|1,0,2]=4 2346 B16R1.688 CCOCCNC(=O)CCc1ccccc1 240690a_100011200944_100000185753 [0,1,0,0,0,0|1,0,2]=4 2347 B16R1.688 CCOCCNC(=O)CCc1ccccc1 527a_100011200944_100000185753 [0,1,0,0,0,0|1,0,2]=4 2348 B16R1.688 CCOCCNC(=O)COc1ccccc1 11a_100011200944_100000186222 [0,1,0,0,0,0|2,0,1]=4 2349 B16R1.688 CCOCCNC(=O)COc1ccccc1 1626a_102516460346_100000186222 [0,1,0,0,0,0|2,0,1]=4 2350 B16R1.688 CCOCCNC(=O)COc1ccccc1 240690a_100011200944_100000186222 [0,1,0,0,0,0|2,0,1]=4 2351 B16R1.688 CCOCCNC(=O)COc1ccccc1 527a_100011200944_100000186222 [0,1,0,0,0,0|2,0,1]=4 2352 B16R1.688 CCOCCNC(=O)CSc1ccccc1 11a_100011200944_100000211596 [0,1,0,0,0,0|2,0,1]=4 2353 B16R1.688 CCOCCNC(=O)CSc1ccccc1 1626a_102516460346_100000211596 [0,1,0,0,0,0|2,0,1]=4 2354 B16R1.688 CCOCCNC(=O)CSc1ccccc1 240690a_100011200944_100000211596 [0,1,0,0,0,0|2,0,1]=4 2355 B16R1.688 CCOCCNC(=O)CSc1ccccc1 527a_100011200944_100000211596 [0,1,0,0,0,0|2,0,1]=4 2356 B16R1.688 CCOCCNC(=O)NCc1ccccc1 2708a_100011200944_100015324214 [0,1,0,0,0,0|2,0,1]=4 2357 B16R1.688 CCOCCNC(=O)NCc1ccccc1 2708a_100015324214_100011200944 [0,1,0,0,0,0|2,0,1]=4 2358 B16R1.688 CCOCCNC(=O)NCc1ccccc1 273464a_100015324214_102516460346 [0,1,0,0,0,0|2,0,1]=4 2359 B16R1.688 CCOCCNC(=O)NCc1ccccc1 273464a_102516460346_100015324214 [0,1,0,0,0,0|2,0,1]=4 2360 B16R1.688 CCOCCNC(=O)NCc1ccccc1 512a_100011200944_100015324214 [0,1,0,0,0,0|2,0,1]=4 2361 B16R1.688 CCOCCNC(=O)NCc1ccccc1 512a_100015324214_100011200944 [0,1,0,0,0,0|2,0,1]=4 2362 B16R1.688 CCOCCNC(=O)NNc1ccccc1 273464a_102516460346_100015195140 [0,1,0,0,0,0|3,0,0]=4 2363 B16R1.688 CCOCCNC(=O)NNc1ccccc1 512a_100011200944_100015195140 [0,1,0,0,0,0|3,0,0]=4 2364 B16R1.688 CCOCCNC(=O)OCc1ccccc1 34a_100000159002_100000210202 [0,1,0,0,0,0|2,0,1]=4 2365 B16R1.688 CCOCCNC(=O)OCc1ccccc1 7a_100000159002_100000210202 [0,1,0,0,0,0|2,0,1]=4 2366 B16R1.688 CCOCCOC(=O)CNc1ccccc1 34a_100000106764_200000101388 [0,1,0,0,0,0|1,0,1]=3 2367 B16R1.688 CCOCCOC(=O)COc1ccccc1 34a_100000210340_200000101388 [0,1,0,0,0,0|1,0,1]=3 2368 B16R1.688 CCOCCOC(=O)COc1ccccc1 7a_100000210340_200000101388 [0,1,0,0,0,0|1,0,1]=3 2369 B16R1.688 CCOCCOC(=O)COc1cccnc1 34a_100000210849_200000101388 [0,1,0,0,0,0|2,0,1]=4 2370 B16R1.688 CCOCCOC(=O)COc1cccnc1 7a_100000210849_200000101388 [0,1,0,0,0,0|2,0,1]=4 2371 B16R1.688 CCOCCOC(=O)COc1ccncc1 34a_100000212176_200000101388 [0,1,0,0,0,0|2,0,1]=4 2372 B16R1.688 CCOCCOC(=O)CSc1ccccc1 62a_100000719477_200000101388 [0,1,0,0,0,0|1,0,1]=3 2373 B16R1.688 CCOCCOC(=O)CSc1ccccc1 62a_200000101388_100000041952 [0,1,0,0,0,0|1,0,1]=3 2374 B16R1.688 CCOCCOC(=O)CSc1ccccn1 62a_100011216584_200000101388 [0,1,0,0,0,0|2,0,1]=4 2375 B16R1.688 CCOCCOC(=O)CSc1ccccn1 62a_200000101388_100011216584 [0,1,0,0,0,0|2,0,1]=4 2376 B16R1.688 CCOCCOC(=O)CSc1cccnc1 62a_100000210063_200000101388 [0,1,0,0,0,0|2,0,1]=4 2377 B16R1.688 CCOCCOC(=O)CSc1cccnc1 62a_200000101388_100000210063 [0,1,0,0,0,0|2,0,1]=4 2378 B16R1.688 CCOCCOC(=O)CSc1ccncc1 62a_100000728582_200000101388 [0,1,0,0,0,0|2,0,1]=4 2379 B16R1.688 CCOCCOC(=O)CSc1ccncc1 62a_200000101388_100000728582 [0,1,0,0,0,0|2,0,1]=4 2380 B16R1.688 CCSCCCC(=O)OCc1ccccc1 62a_100000210202_100009813218 [0,1,0,0,0,0|2,0,1]=4 2381 B16R1.688 CCSCCCC(=O)OCc1ccccc1 62a_100009813218_100000210202 [0,1,0,0,0,0|2,0,1]=4 2382 B16R1.688 CCSCCNC(=O)C#Cc1ccccc1 240690a_100000106463_100000736102 [0,1,0,0,0,0|1,0,2]=4 2383 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 11a_100000106463_100000210462 [0,1,0,0,0,0|1,0,0]=2 2384 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 1626a_100000106463_100000210462 [0,1,0,0,0,0|1,0,0]=2 2385 B16R1.688 CCSCCNC(=O)C=Cc1ccccn1 11a_100000106463_100000740811 [0,1,0,0,0,0|2,0,0]=3 2386 B16R1.688 CCSCCNC(=O)C=Cc1ccccn1 240690a_100000106463_100000740811 [0,1,0,0,0,0|2,0,0]=3 2387 B16R1.688 CCSCCNC(=O)C=Cc1cccnc1 11a_100000106463_100000735890 [0,1,0,0,0,0|2,0,0]=3 2388 B16R1.688 CCSCCNC(=O)C=Cc1cccnc1 240690a_100000106463_100000735890 [0,1,0,0,0,0|2,0,0]=3 2389 B16R1.688 CCSCCNC(=O)C=Cc1ccncc1 240690a_100000106463_100000682801 [0,1,0,0,0,0|2,0,0]=3 2390 B16R1.688 CCSCCNC(=O)CCc1ccccc1 11a_100000106463_100000185753 [0,1,0,0,0,0|1,0,2]=4 2391 B16R1.688 CCSCCNC(=O)CCc1ccccc1 1626a_100000106463_100000185753 [0,1,0,0,0,0|1,0,2]=4 2392 B16R1.688 CCSCCNC(=O)CCc1ccccc1 240690a_100000106463_100000185753 [0,1,0,0,0,0|1,0,2]=4 2393 B16R1.688 CCSCCNC(=O)CCc1ccccc1 527a_100000106463_100000185753 [0,1,0,0,0,0|1,0,2]=4 2394 B16R1.688 CCSCCNC(=O)COc1ccccc1 11a_100000106463_100000186222 [0,1,0,0,0,0|2,0,1]=4 2395 B16R1.688 CCSCCNC(=O)COc1ccccc1 1626a_100000106463_100000186222 [0,1,0,0,0,0|2,0,1]=4 2396 B16R1.688 CCSCCNC(=O)COc1ccccc1 240690a_100000106463_100000186222 [0,1,0,0,0,0|2,0,1]=4 2397 B16R1.688 CCSCCNC(=O)COc1ccccc1 527a_100000106463_100000186222 [0,1,0,0,0,0|2,0,1]=4 2398 B16R1.688 CCSCCNC(=O)CSc1ccccc1 11a_100000106463_100000211596 [0,1,0,0,0,0|2,0,1]=4 2399 B16R1.688 CCSCCNC(=O)CSc1ccccc1 1626a_100000106463_100000211596 [0,1,0,0,0,0|2,0,1]=4 2400 B16R1.688 CCSCCNC(=O)CSc1ccccc1 240690a_100000106463_100000211596 [0,1,0,0,0,0|2,0,1]=4 2401 B16R1.688 CCSCCNC(=O)CSc1ccccc1 527a_100000106463_100000211596 [0,1,0,0,0,0|2,0,1]=4 2402 B16R1.688 CCSCCNC(=O)NCc1ccccc1 2708a_100000106463_100015324214 [0,1,0,0,0,0|2,0,1]=4 2403 B16R1.688 CCSCCNC(=O)NCc1ccccc1 2708a_100015324214_100000106463 [0,1,0,0,0,0|2,0,1]=4 2404 B16R1.688 CCSCCNC(=O)NCc1ccccc1 273464a_100000106463_100015324214 [0,1,0,0,0,0|2,0,1]=4 2405 B16R1.688 CCSCCNC(=O)NCc1ccccc1 273464a_100015324214_100000106463 [0,1,0,0,0,0|2,0,1]=4 2406 B16R1.688 CCSCCNC(=O)NCc1ccccc1 512a_100000106463_100015324214 [0,1,0,0,0,0|2,0,1]=4 2407 B16R1.688 CCSCCNC(=O)NCc1ccccc1 512a_100015324214_100000106463 [0,1,0,0,0,0|2,0,1]=4 2408 B16R1.688 CCSCCNC(=O)NNc1ccccc1 273464a_100000106463_100015195140 [0,1,0,0,0,0|3,0,0]=4 2409 B16R1.688 CCSCCNC(=O)NNc1ccccc1 512a_100000106463_100015195140 [0,1,0,0,0,0|3,0,0]=4 2410 B16R1.688 CCSCCNC(=O)OCc1ccccc1 62a_100000210202_100012357035 [0,1,0,0,0,0|2,0,1]=4 2411 B16R1.688 CCSCCNC(=O)OCc1ccccc1 62a_100012357035_100000210202 [0,1,0,0,0,0|2,0,1]=4 2412 B16R1.688 CNCCCCC(=O)C=Cc1cncnc1 6a_100000749868_100011320585 [0,1,0,0,0,0|3,0,0]=4 2413 B16R1.688 CNCCCNC(=O)OCc1ccccc1 2230a_106832991635_100012340047 [0,1,0,0,0,0|2,0,1]=4 2414 B16R1.688 CNCCCNC(=O)OCc1ccccc1 34a_100102657272_100012340047 [0,1,0,0,0,0|2,0,1]=4 2415 B16R1.688 CNCCCNC(=O)OCc1ccccc1 7a_106832991635_100012340047 [0,1,0,0,0,0|2,0,1]=4 2416 B16R1.688 COCCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000755781 [0,1,0,0,0,0|1,0,2]=4 2417 B16R1.688 COCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755781 [0,1,0,0,0,0|1,0,0]=2 2418 B16R1.688 COCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000755781 [0,1,0,0,0,0|2,0,0]=3 2419 B16R1.688 COCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000755781 [0,1,0,0,0,0|2,0,0]=3 2420 B16R1.688 COCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000755781 [0,1,0,0,0,0|2,0,0]=3 2421 B16R1.688 COCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000755781 [0,1,0,0,0,0|1,0,2]=4 2422 B16R1.688 COCCCCC(=O)COc1ccccc1 1458a_100000186222_100000755781 [0,1,0,0,0,0|2,0,1]=4 2423 B16R1.688 COCCCCC(=O)CSc1ccccc1 1458a_100000211596_100000755781 [0,1,0,0,0,0|2,0,1]=4 2424 B16R1.688 COCCCCC(=O)OCc1ccccc1 7a_200000059030_200000210301 [0,1,0,0,0,0|2,0,1]=4 2425 B16R1.688 COCCCNC(=O)C#Cc1ccccc1 240690a_100150723488_100000736102 [0,1,0,0,0,0|1,0,2]=4 2426 B16R1.688 COCCCNC(=O)C=Cc1ccccc1 1626a_100150723488_100000210462 [0,1,0,0,0,0|1,0,0]=2 2427 B16R1.688 COCCCNC(=O)C=Cc1ccccn1 240690a_100150723488_100000740811 [0,1,0,0,0,0|2,0,0]=3 2428 B16R1.688 COCCCNC(=O)C=Cc1cccnc1 240690a_100150723488_100000735890 [0,1,0,0,0,0|2,0,0]=3 2429 B16R1.688 COCCCNC(=O)C=Cc1ccncc1 240690a_100150723488_100000682801 [0,1,0,0,0,0|2,0,0]=3 2430 B16R1.688 COCCCNC(=O)CCc1ccccc1 1626a_100150723488_100000185753 [0,1,0,0,0,0|1,0,2]=4 2431 B16R1.688 COCCCNC(=O)CCc1ccccc1 240690a_100150723488_100000185753 [0,1,0,0,0,0|1,0,2]=4 2432 B16R1.688 COCCCNC(=O)CCc1ccccc1 527a_100150723488_100000185753 [0,1,0,0,0,0|1,0,2]=4 2433 B16R1.688 COCCCNC(=O)CNc1ccccc1 34a_100000106764_100000183178 [0,1,0,0,0,0|2,0,1]=4 2434 B16R1.688 COCCCNC(=O)COc1ccccc1 1626a_100150723488_100000186222 [0,1,0,0,0,0|2,0,1]=4 2435 B16R1.688 COCCCNC(=O)COc1ccccc1 240690a_100150723488_100000186222 [0,1,0,0,0,0|2,0,1]=4 2436 B16R1.688 COCCCNC(=O)COc1ccccc1 34a_100000210340_100000183178 [0,1,0,0,0,0|2,0,1]=4 2437 B16R1.688 COCCCNC(=O)COc1ccccc1 527a_100150723488_100000186222 [0,1,0,0,0,0|2,0,1]=4 2438 B16R1.688 COCCCNC(=O)COc1ccccc1 7a_100000210340_100000183178 [0,1,0,0,0,0|2,0,1]=4 2439 B16R1.688 COCCCNC(=O)CSc1ccccc1 1626a_100150723488_100000211596 [0,1,0,0,0,0|2,0,1]=4 2440 B16R1.688 COCCCNC(=O)CSc1ccccc1 240690a_100150723488_100000211596 [0,1,0,0,0,0|2,0,1]=4 2441 B16R1.688 COCCCNC(=O)CSc1ccccc1 527a_100150723488_100000211596 [0,1,0,0,0,0|2,0,1]=4 2442 B16R1.688 COCCCNC(=O)CSc1ccccc1 62a_100000183178_100000041952 [0,1,0,0,0,0|2,0,1]=4 2443 B16R1.688 COCCCNC(=O)NCc1ccccc1 2708a_100015324214_100150723488 [0,1,0,0,0,0|2,0,1]=4 2444 B16R1.688 COCCCNC(=O)NCc1ccccc1 2708a_100150723488_100015324214 [0,1,0,0,0,0|2,0,1]=4 2445 B16R1.688 COCCCNC(=O)NCc1ccccc1 273464a_100015324214_100150723488 [0,1,0,0,0,0|2,0,1]=4 2446 B16R1.688 COCCCNC(=O)NCc1ccccc1 273464a_100150723488_100015324214 [0,1,0,0,0,0|2,0,1]=4 2447 B16R1.688 COCCCNC(=O)NCc1ccccc1 512a_100015324214_100150723488 [0,1,0,0,0,0|2,0,1]=4 2448 B16R1.688 COCCCNC(=O)NNc1ccccc1 273464a_100150723488_100015195140 [0,1,0,0,0,0|3,0,0]=4 2449 B16R1.688 COCCCNC(=O)OCc1ccccc1 34a_100011215709_200000210301 [0,1,0,0,0,0|2,0,1]=4 2450 B16R1.688 COCCCNC(=O)OCc1ccccc1 34a_100138415774_100012340047 [0,1,0,0,0,0|2,0,1]=4 2451 B16R1.688 COCCCNC(=O)OCc1ccccc1 7a_100011215709_200000210301 [0,1,0,0,0,0|2,0,1]=4 2452 B16R1.688 COCCNNC(=O)C=Cc1ccccc1 22a_100000741390_100000210462 [0,1,0,0,0,0|2,0,0]=3 2453 B16R1.688 COCCNNC(=O)C=Cc1ccccn1 22a_100000741390_100000740811 [0,1,0,0,0,0|3,0,0]=4 2454 B16R1.688 COCCNNC(=O)C=Cc1cccnc1 22a_100000741390_100000735890 [0,1,0,0,0,0|3,0,0]=4 2455 B16R1.688 COCCNNC(=O)C=Cc1ccncc1 22a_100000741390_100000682801 [0,1,0,0,0,0|3,0,0]=4 2456 B16R1.688 COCCOCC(=O)CCc1ccccc1 1458a_100000211095_100000765856 [0,1,0,0,0,0|1,0,2]=4 2457 B16R1.688 COCCOCC(=O)CCc1ccccc1 34a_100000210237_100012361361 [0,1,0,0,0,0|1,0,2]=4 2458 B16R1.688 COCCOCC(=O)NCc1ccccc1 11a_100015324214_100000211095 [0,1,0,0,0,0|2,0,1]=4 2459 B16R1.688 COCCOCC(=O)NCc1ccccc1 1626a_100015324214_100000211095 [0,1,0,0,0,0|2,0,1]=4 2460 B16R1.688 COCCOCC(=O)NCc1ccccc1 240690a_100015324214_100000211095 [0,1,0,0,0,0|2,0,1]=4 2461 B16R1.688 COCCOCC(=O)NCc1ccccc1 34a_100000210237_100000183539 [0,1,0,0,0,0|2,0,1]=4 2462 B16R1.688 COCCOCC(=O)NCc1ccccc1 527a_100015324214_100000211095 [0,1,0,0,0,0|2,0,1]=4 2463 B16R1.688 COCCOCC(=O)NNc1ccccc1 22a_100015195140_100000211095 [0,1,0,0,0,0|3,0,0]=4 2464 B16R1.688 COCCOCC(=O)OCc1ccccc1 34a_100000210237_100000753625 [0,1,0,0,0,0|2,0,1]=4 2465 B16R1.688 CSCCCNC(=O)C#Cc1ccccc1 240690a_100000749238_100000736102 [0,1,0,0,0,0|1,0,2]=4 2466 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 11a_100000749238_100000210462 [0,1,0,0,0,0|1,0,0]=2 2467 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 1626a_100000749238_100000210462 [0,1,0,0,0,0|1,0,0]=2 2468 B16R1.688 CSCCCNC(=O)C=Cc1ccccn1 11a_100000749238_100000740811 [0,1,0,0,0,0|2,0,0]=3 2469 B16R1.688 CSCCCNC(=O)C=Cc1ccccn1 240690a_100000749238_100000740811 [0,1,0,0,0,0|2,0,0]=3 2470 B16R1.688 CSCCCNC(=O)C=Cc1cccnc1 11a_100000749238_100000735890 [0,1,0,0,0,0|2,0,0]=3 2471 B16R1.688 CSCCCNC(=O)C=Cc1cccnc1 240690a_100000749238_100000735890 [0,1,0,0,0,0|2,0,0]=3 2472 B16R1.688 CSCCCNC(=O)C=Cc1ccncc1 240690a_100000749238_100000682801 [0,1,0,0,0,0|2,0,0]=3 2473 B16R1.688 CSCCCNC(=O)CCc1ccccc1 11a_100000749238_100000185753 [0,1,0,0,0,0|1,0,2]=4 2474 B16R1.688 CSCCCNC(=O)CCc1ccccc1 1626a_100000749238_100000185753 [0,1,0,0,0,0|1,0,2]=4 2475 B16R1.688 CSCCCNC(=O)CCc1ccccc1 240690a_100000749238_100000185753 [0,1,0,0,0,0|1,0,2]=4 2476 B16R1.688 CSCCCNC(=O)CCc1ccccc1 527a_100000749238_100000185753 [0,1,0,0,0,0|1,0,2]=4 2477 B16R1.688 CSCCCNC(=O)COc1ccccc1 11a_100000749238_100000186222 [0,1,0,0,0,0|2,0,1]=4 2478 B16R1.688 CSCCCNC(=O)COc1ccccc1 1626a_100000749238_100000186222 [0,1,0,0,0,0|2,0,1]=4 2479 B16R1.688 CSCCCNC(=O)COc1ccccc1 240690a_100000749238_100000186222 [0,1,0,0,0,0|2,0,1]=4 2480 B16R1.688 CSCCCNC(=O)COc1ccccc1 527a_100000749238_100000186222 [0,1,0,0,0,0|2,0,1]=4 2481 B16R1.688 CSCCCNC(=O)CSc1ccccc1 11a_100000749238_100000211596 [0,1,0,0,0,0|2,0,1]=4 2482 B16R1.688 CSCCCNC(=O)CSc1ccccc1 1626a_100000749238_100000211596 [0,1,0,0,0,0|2,0,1]=4 2483 B16R1.688 CSCCCNC(=O)CSc1ccccc1 240690a_100000749238_100000211596 [0,1,0,0,0,0|2,0,1]=4 2484 B16R1.688 CSCCCNC(=O)CSc1ccccc1 527a_100000749238_100000211596 [0,1,0,0,0,0|2,0,1]=4 2485 B16R1.688 CSCCCNC(=O)NCc1ccccc1 2708a_100000749238_100015324214 [0,1,0,0,0,0|2,0,1]=4 2486 B16R1.688 CSCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000749238 [0,1,0,0,0,0|2,0,1]=4 2487 B16R1.688 CSCCCNC(=O)NCc1ccccc1 273464a_100000749238_100015324214 [0,1,0,0,0,0|2,0,1]=4 2488 B16R1.688 CSCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000749238 [0,1,0,0,0,0|2,0,1]=4 2489 B16R1.688 CSCCCNC(=O)NCc1ccccc1 512a_100000749238_100015324214 [0,1,0,0,0,0|2,0,1]=4 2490 B16R1.688 CSCCCNC(=O)NCc1ccccc1 512a_100015324214_100000749238 [0,1,0,0,0,0|2,0,1]=4 2491 B16R1.688 CSCCCNC(=O)NNc1ccccc1 273464a_100000749238_100015195140 [0,1,0,0,0,0|3,0,0]=4 2492 B16R1.688 CSCCCNC(=O)NNc1ccccc1 512a_100000749238_100015195140 [0,1,0,0,0,0|3,0,0]=4 2493 B16R1.688 CSCCCNC(=O)OCc1ccccc1 62a_100012340047_200000210301 [0,1,0,0,0,0|2,0,1]=4 2494 B16R1.688 CSCCCNC(=O)OCc1ccccc1 62a_200000210301_100012340047 [0,1,0,0,0,0|2,0,1]=4 2495 B16R1.688 CSCCOCC(=O)CCc1ccccc1 34a_100000230434_100012361361 [0,1,0,0,0,0|1,0,2]=4 2496 B16R1.688 CSCCOCC(=O)CCc1ccccc1 7a_100000230434_100012361361 [0,1,0,0,0,0|1,0,2]=4 2497 B16R1.688 CSCCOCC(=O)NCc1ccccc1 34a_100000230434_100000183539 [0,1,0,0,0,0|2,0,1]=4 2498 B16R1.688 CSCCOCC(=O)NCc1ccccc1 7a_100000230434_100000183539 [0,1,0,0,0,0|2,0,1]=4 2499 B16R1.688 CSCCOCC(=O)OCc1ccccc1 34a_100000230434_100000753625 [0,1,0,0,0,0|2,0,1]=4 2500 B16R1.688 CSCCOCC(=O)OCc1ccccc1 7a_100000230434_100000753625 [0,1,0,0,0,0|2,0,1]=4 2501 B16R1.688 N#CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211819 [0,1,0,0,0,0|1,0,1]=3 2502 B16R1.688 N#CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000211819 [0,1,0,0,0,0|2,0,1]=4 2503 B16R1.688 N#CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000211819 [0,1,0,0,0,0|2,0,1]=4 2504 B16R1.688 N#CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000211819 [0,1,0,0,0,0|2,0,1]=4 2505 B16R1.688 N#CCCNNC(=O)C=Cc1ccccc1 22a_100000229987_100000210462 [0,1,0,0,0,0|2,0,1]=4 2506 B16R1.688 N#CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000047693 [0,1,0,0,0,0|2,0,1]=4 2507 B16R1.688 NCCCOCC(=O)CCc1ccccc1 34a_100000182051_100012361361 [0,1,0,0,0,0|1,0,2]=4 2508 B16R1.688 NCCCOCC(=O)NCc1ccccc1 34a_100000182051_100000183539 [0,1,0,0,0,0|2,0,1]=4 2509 B16R1.688 NCCCOCC(=O)OCc1ccccc1 34a_100000182051_100000753625 [0,1,0,0,0,0|2,0,1]=4 2510 B16R1.688 O=C(C#Cc1ccccc1)CCCCCF 1458a_100000736102_100000729378 [0,1,0,0,0,0|1,0,2]=4 2511 B16R1.688 O=C(C#Cc1ccccc1)CCCCCO 1458a_100000736102_100000746330 [0,1,0,0,0,0|1,0,2]=4 2512 B16R1.688 O=C(C#Cc1ccccc1)NCCCCO 240690a_100000750430_100000736102 [0,1,0,0,0,0|1,0,2]=4 2513 B16R1.688 O=C(C=Cc1ccccc1)CCCCCF 1458a_100000210462_100000729378 [0,1,0,0,0,0|1,0,0]=2 2514 B16R1.688 O=C(C=Cc1ccccc1)CCCCCO 1458a_100000210462_100000746330 [0,1,0,0,0,0|1,0,0]=2 2515 B16R1.688 O=C(C=Cc1ccccc1)CCOCCO 1458a_100000210462_100011215305 [0,1,0,0,0,0|2,0,0]=3 2516 B16R1.688 O=C(C=Cc1ccccn1)CCCCCF 1458a_100000740811_100000729378 [0,1,0,0,0,0|2,0,0]=3 2517 B16R1.688 O=C(C=Cc1ccccn1)CCCCCO 1458a_100000740811_100000746330 [0,1,0,0,0,0|2,0,0]=3 2518 B16R1.688 O=C(C=Cc1ccccn1)CCOCCO 1458a_100000740811_100011215305 [0,1,0,0,0,0|3,0,0]=4 2519 B16R1.688 O=C(C=Cc1ccccn1)NCCCCO 240690a_100000750430_100000740811 [0,1,0,0,0,0|2,0,0]=3 2520 B16R1.688 O=C(C=Cc1cccnc1)CCCCCF 1458a_100000735890_100000729378 [0,1,0,0,0,0|2,0,0]=3 2521 B16R1.688 O=C(C=Cc1cccnc1)CCCCCO 1458a_100000735890_100000746330 [0,1,0,0,0,0|2,0,0]=3 2522 B16R1.688 O=C(C=Cc1cccnc1)CCOCCO 1458a_100000735890_100011215305 [0,1,0,0,0,0|3,0,0]=4 2523 B16R1.688 O=C(C=Cc1cccnc1)NCCCCO 240690a_100000750430_100000735890 [0,1,0,0,0,0|2,0,0]=3 2524 B16R1.688 O=C(C=Cc1ccncc1)CCCCCF 1458a_100000682801_100000729378 [0,1,0,0,0,0|2,0,0]=3 2525 B16R1.688 O=C(C=Cc1ccncc1)CCCCCO 1458a_100000682801_100000746330 [0,1,0,0,0,0|2,0,0]=3 2526 B16R1.688 O=C(C=Cc1ccncc1)CCOCCO 1458a_100000682801_100011215305 [0,1,0,0,0,0|3,0,0]=4 2527 B16R1.688 O=C(C=Cc1ccncc1)NCCCCO 240690a_100000750430_100000682801 [0,1,0,0,0,0|2,0,0]=3 2528 B16R1.688 O=C(CCCCCF)CCc1ccccc1 1458a_100000185753_100000729378 [0,1,0,0,0,0|1,0,2]=4 2529 B16R1.688 O=C(CCCCCF)COc1ccccc1 1458a_100000186222_100000729378 [0,1,0,0,0,0|2,0,1]=4 2530 B16R1.688 O=C(CCCCCF)CSc1ccccc1 1458a_100000211596_100000729378 [0,1,0,0,0,0|2,0,1]=4 2531 B16R1.688 O=C(CCCCCO)CCc1ccccc1 1458a_100000185753_100000746330 [0,1,0,0,0,0|1,0,2]=4 2532 B16R1.688 O=C(CCCCCO)CCc1ccccc1 1458a_100102619762_100000765856 [0,1,0,0,0,0|1,0,2]=4 2533 B16R1.688 O=C(CCCCCO)COc1ccccc1 1458a_100000186222_100000746330 [0,1,0,0,0,0|2,0,1]=4 2534 B16R1.688 O=C(CCCCCO)CSc1ccccc1 1458a_100000211596_100000746330 [0,1,0,0,0,0|2,0,1]=4 2535 B16R1.688 O=C(CCCCCO)NCc1ccccc1 240690a_100015324214_100102619762 [0,1,0,0,0,0|2,0,1]=4 2536 B16R1.688 O=C(CCCCCO)NNc1ccccc1 22a_100015195140_100102619762 [0,1,0,0,0,0|3,0,0]=4 2537 B16R1.688 O=C(CCc1ccccc1)COCCCBr 34a_100011217188_100012361361 [0,1,0,0,0,0|1,0,2]=4 2538 B16R1.688 O=C(CCc1ccccc1)COCCCCl 34a_100000230001_100012361361 [0,1,0,0,0,0|1,0,2]=4 2539 B16R1.688 O=C(CCc1ccccc1)COCCCF 34a_100000759539_100012361361 [0,1,0,0,0,0|1,0,2]=4 2540 B16R1.688 O=C(CCc1ccccc1)NCCCCO 240690a_100000750430_100000185753 [0,1,0,0,0,0|1,0,2]=4 2541 B16R1.688 O=C(CCc1ccccc1)NCCCCO 527a_100000750430_100000185753 [0,1,0,0,0,0|1,0,2]=4 2542 B16R1.688 O=C(COCCCBr)NCc1ccccc1 34a_100011217188_100000183539 [0,1,0,0,0,0|2,0,1]=4 2543 B16R1.688 O=C(COCCCBr)OCc1ccccc1 34a_100011217188_100000753625 [0,1,0,0,0,0|2,0,1]=4 2544 B16R1.688 O=C(COCCCCl)NCc1ccccc1 34a_100000230001_100000183539 [0,1,0,0,0,0|2,0,1]=4 2545 B16R1.688 O=C(COCCCCl)OCc1ccccc1 34a_100000230001_100000753625 [0,1,0,0,0,0|2,0,1]=4 2546 B16R1.688 O=C(COCCCF)NCc1ccccc1 34a_100000759539_100000183539 [0,1,0,0,0,0|2,0,1]=4 2547 B16R1.688 O=C(COCCCF)OCc1ccccc1 34a_100000759539_100000753625 [0,1,0,0,0,0|2,0,1]=4 2548 B16R1.688 O=C(COc1ccccc1)NCCCCO 240690a_100000750430_100000186222 [0,1,0,0,0,0|2,0,1]=4 2549 B16R1.688 O=C(COc1ccccc1)NCCCCO 527a_100000750430_100000186222 [0,1,0,0,0,0|2,0,1]=4 2550 B16R1.688 O=C(CSc1ccccc1)NCCCCO 240690a_100000750430_100000211596 [0,1,0,0,0,0|2,0,1]=4 2551 B16R1.688 O=C(CSc1ccccc1)NCCCCO 527a_100000750430_100000211596 [0,1,0,0,0,0|2,0,1]=4 2552 B16R1.688 O=C(NCCCCO)NCc1ccccc1 2708a_100000750430_100015324214 [0,1,0,0,0,0|2,0,1]=4 2553 B16R1.688 O=C(NCCCCO)NCc1ccccc1 2708a_100015324214_100000750430 [0,1,0,0,0,0|2,0,1]=4 2554 B16R1.688 O=C(NCCCCO)NCc1ccccc1 273464a_100000750430_100015324214 [0,1,0,0,0,0|2,0,1]=4 2555 B16R1.688 O=C(NCCCCO)NCc1ccccc1 273464a_100015324214_100000750430 [0,1,0,0,0,0|2,0,1]=4 2556 B16R1.688 O=C(NCCCCO)NCc1ccccc1 512a_100000750430_100015324214 [0,1,0,0,0,0|2,0,1]=4 2557 B16R1.688 O=C(NCCCCO)NCc1ccccc1 512a_100015324214_100000750430 [0,1,0,0,0,0|2,0,1]=4 2558 B16R1.688 O=C(NCCCCO)NNc1ccccc1 273464a_100000750430_100015195140 [0,1,0,0,0,0|3,0,0]=4 2559 B16R1.688 O=C(NCCCCO)NNc1ccccc1 512a_100000750430_100015195140 [0,1,0,0,0,0|3,0,0]=4 2560 B16R1.688 [13CH3]OCCCCC(=O)OCc1ccccc1 7a_200000059030_200025704644 [0,1,0,0,0,0|2,0,1]=4 2561 B16R1.688 [13CH3]OCCCNC(=O)OCc1ccccc1 34a_100011215709_200025704644 [0,1,0,0,0,0|2,0,1]=4 2562 B16R1.688 [13CH3]OCCCNC(=O)OCc1ccccc1 7a_100011215709_200025704644 [0,1,0,0,0,0|2,0,1]=4 2563 B16R1.688 [13CH3]SCCCNC(=O)OCc1ccccc1 62a_100012340047_200025704644 [0,1,0,0,0,0|2,0,1]=4 2564 B16R1.688 [13CH3]SCCCNC(=O)OCc1ccccc1 62a_200025704644_100012340047 [0,1,0,0,0,0|2,0,1]=4 2565 B16R1.1216 C#CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000731252 [0,1,0,0,0,0|1,0,2]=4 2566 B16R1.1216 C#CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000731252 [0,1,0,0,0,0|1,0,2]=4 2567 B16R1.1216 C#CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000731252 [0,1,0,0,0,0|1,0,2]=4 2568 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000755551_100016990649 [0,1,0,0,0,0|1,0,2]=4 2569 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000755551_100016990649 [0,1,0,0,0,0|1,0,2]=4 2570 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000755551_100016990649 [0,1,0,0,0,0|1,0,2]=4 2571 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000755551_200020598536 [0,1,0,0,0,0|1,0,2]=4 2572 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000755551_200020598536 [0,1,0,0,0,0|1,0,2]=4 2573 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000755551_200020598536 [0,1,0,0,0,0|1,0,2]=4 2574 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000755551_200020598536 [0,1,0,0,0,0|1,0,2]=4 2575 B16R1.1216 C#CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000755551_100020889036 [0,1,0,0,0,0|1,0,2]=4 2576 B16R1.1216 C#CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000755551_100020889036 [0,1,0,0,0,0|1,0,2]=4 2577 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCC#N 1458a_100016990649_100000211468 [0,1,0,0,0,0|2,0,1]=4 2578 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCCF 1458a_100016990649_100000729493 [0,1,0,0,0,0|2,0,0]=3 2579 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCCO 1458a_100016990649_100000210776 [0,1,0,0,0,0|2,0,0]=3 2580 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCC#N 11a_100000720768_100016990649 [0,1,0,0,0,0|2,0,1]=4 2581 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCC#N 1626a_100000720768_100016990649 [0,1,0,0,0,0|2,0,1]=4 2582 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCC#N 527a_100000720768_100016990649 [0,1,0,0,0,0|2,0,1]=4 2583 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 11a_100015189416_100016990649 [0,1,0,0,0,0|2,0,0]=3 2584 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 1626a_100015189416_100016990649 [0,1,0,0,0,0|2,0,0]=3 2585 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 527a_100015189416_100016990649 [0,1,0,0,0,0|2,0,0]=3 2586 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCO 527a_100000182051_100016990649 [0,1,0,0,0,0|2,0,0]=3 2587 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NNCCO 22a_100000210001_100016990649 [0,1,0,0,0,0|3,0,0]=4 2588 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)CCCCF 1458a_100025712827_100000729493 [0,1,0,0,0,0|3,0,0]=4 2589 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)CCCCO 1458a_100025712827_100000210776 [0,1,0,0,0,0|3,0,0]=4 2590 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCF 11a_100015189416_100025712827 [0,1,0,0,0,0|3,0,0]=4 2591 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCF 1626a_100015189416_100025712827 [0,1,0,0,0,0|3,0,0]=4 2592 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCF 527a_100015189416_100025712827 [0,1,0,0,0,0|3,0,0]=4 2593 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCO 527a_100000182051_100025712827 [0,1,0,0,0,0|3,0,0]=4 2594 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC 11a_100000102301_100000066491 [0,1,0,0,0,0|1,0,1]=3 2595 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC 1626a_100000102301_100000066491 [0,1,0,0,0,0|1,0,1]=3 2596 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCF 11a_100015189416_100000066491 [0,1,0,0,0,0|2,0,1]=4 2597 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCF 1626a_100015189416_100000066491 [0,1,0,0,0,0|2,0,1]=4 2598 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCOC 1626a_100000209980_100000066491 [0,1,0,0,0,0|2,0,1]=4 2599 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC 11a_100020590264_100000066491 [0,1,0,0,0,0|2,0,1]=4 2600 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC 1626a_100020590264_100000066491 [0,1,0,0,0,0|2,0,1]=4 2601 B16R1.1216 C=C(Cc1ccccc1)C(=O)NNCCC 22a_100000740057_100000066491 [0,1,0,0,0,0|2,0,1]=4 2602 B16R1.1216 C=CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000757094 [0,1,0,0,0,0|1,0,2]=4 2603 B16R1.1216 C=CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000757094 [0,1,0,0,0,0|1,0,2]=4 2604 B16R1.1216 C=CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000757094 [0,1,0,0,0,0|1,0,2]=4 2605 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100015191253_100016990649 [0,1,0,0,0,0|1,0,2]=4 2606 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100015191253_100016990649 [0,1,0,0,0,0|1,0,2]=4 2607 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100015191253_100016990649 [0,1,0,0,0,0|1,0,2]=4 2608 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015191253_200020598536 [0,1,0,0,0,0|1,0,2]=4 2609 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100015191253_200020598536 [0,1,0,0,0,0|1,0,2]=4 2610 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015191253_200020598536 [0,1,0,0,0,0|1,0,2]=4 2611 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015191253_200020598536 [0,1,0,0,0,0|1,0,2]=4 2612 B16R1.1216 C=CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100015191253_100020889036 [0,1,0,0,0,0|1,0,2]=4 2613 B16R1.1216 C=CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100015191253_100020889036 [0,1,0,0,0,0|1,0,2]=4 2614 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/C 11a_100000685387_100016990649 [0,1,0,0,0,0|1,0,2]=4 2615 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000685387_100016990649 [0,1,0,0,0,0|1,0,2]=4 2616 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/C 527a_100000685387_100016990649 [0,1,0,0,0,0|1,0,2]=4 2617 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000685387_200020598536 [0,1,0,0,0,0|1,0,2]=4 2618 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000685387_200020598536 [0,1,0,0,0,0|1,0,2]=4 2619 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000685387_200020598536 [0,1,0,0,0,0|1,0,2]=4 2620 B16R1.1216 CC#CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000685387_100020889036 [0,1,0,0,0,0|1,0,2]=4 2621 B16R1.1216 CC#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000685387_100020889036 [0,1,0,0,0,0|1,0,2]=4 2622 B16R1.1216 CC/C=C\CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100103147603 [0,1,0,0,0,0|1,0,2]=4 2623 B16R1.1216 CC/C=C\CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100103147603 [0,1,0,0,0,0|1,0,2]=4 2624 B16R1.1216 CC/C=C\CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100103147603 [0,1,0,0,0,0|1,0,2]=4 2625 B16R1.1216 CCC#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100009813939 [0,1,0,0,0,0|1,0,2]=4 2626 B16R1.1216 CCC#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100009813939 [0,1,0,0,0,0|1,0,2]=4 2627 B16R1.1216 CCC#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100009813939 [0,1,0,0,0,0|1,0,2]=4 2628 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210326 [0,1,0,0,0,0|1,0,0]=2 2629 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210326 [0,1,0,0,0,0|1,0,0]=2 2630 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210326 [0,1,0,0,0,0|2,0,0]=3 2631 B16R1.1216 CCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210326 [0,1,0,0,0,0|1,0,0]=2 2632 B16R1.1216 CCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210326 [0,1,0,0,0,0|2,0,0]=3 2633 B16R1.1216 CCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210326 [0,1,0,0,0,0|2,0,0]=3 2634 B16R1.1216 CCCCCC(=O)C(C)Cc1ccccc1 1458a_100000212188_200011218536 [0,1,0,0,0,0|1,0,2]=4 2635 B16R1.1216 CCCCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210326 [0,1,0,0,0,0|1,0,2]=4 2636 B16R1.1216 CCCCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210326 [0,1,0,0,0,0|2,0,1]=4 2637 B16R1.1216 CCCCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210326 [0,1,0,0,0,0|2,0,1]=4 2638 B16R1.1216 CCCCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000212188 [0,1,0,0,0,0|2,0,1]=4 2639 B16R1.1216 CCCCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000212188 [0,1,0,0,0,0|2,0,1]=4 2640 B16R1.1216 CCCCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000212188 [0,1,0,0,0,0|2,0,1]=4 2641 B16R1.1216 CCCCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000212188 [0,1,0,0,0,0|2,0,1]=4 2642 B16R1.1216 CCCCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210326 [0,1,0,0,0,0|1,0,2]=4 2643 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000102301_100016990649 [0,1,0,0,0,0|1,0,0]=2 2644 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000102301_100016990649 [0,1,0,0,0,0|1,0,0]=2 2645 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000102301_100016990649 [0,1,0,0,0,0|1,0,0]=2 2646 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000102301_200020598536 [0,1,0,0,0,0|1,0,0]=2 2647 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000102301_200020598536 [0,1,0,0,0,0|1,0,0]=2 2648 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000102301_200020598536 [0,1,0,0,0,0|1,0,0]=2 2649 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000102301_200020598536 [0,1,0,0,0,0|1,0,0]=2 2650 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000102301_100025712827 [0,1,0,0,0,0|2,0,0]=3 2651 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000102301_100025712827 [0,1,0,0,0,0|2,0,0]=3 2652 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000102301_100025712827 [0,1,0,0,0,0|2,0,0]=3 2653 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000102301_100020889036 [0,1,0,0,0,0|1,0,0]=2 2654 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000102301_100020889036 [0,1,0,0,0,0|1,0,0]=2 2655 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 11a_100000102301_100000731744 [0,1,0,0,0,0|2,0,0]=3 2656 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000102301_100000731744 [0,1,0,0,0,0|2,0,0]=3 2657 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 527a_100000102301_100000731744 [0,1,0,0,0,0|2,0,0]=3 2658 B16R1.1216 CCCCNC(=O)C(=O)Nc1ccccc1 240690a_100000102301_100000738435 [0,1,0,0,0,0|2,0,0]=3 2659 B16R1.1216 CCCCNC(=O)C(C)Cc1ccccc1 11a_100000102301_100000754839 [0,1,0,0,0,0|1,0,2]=4 2660 B16R1.1216 CCCCNC(=O)C(C)Cc1ccccc1 1626a_100000102301_100000754839 [0,1,0,0,0,0|1,0,2]=4 2661 B16R1.1216 CCCCNC(=O)C(C)Cc1ccccc1 240690a_100000102301_100000754839 [0,1,0,0,0,0|1,0,2]=4 2662 B16R1.1216 CCCCNC(=O)C(C)Cc1ccccc1 527a_100000102301_100000754839 [0,1,0,0,0,0|1,0,2]=4 2663 B16R1.1216 CCCCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000735917 [0,1,0,0,0,0|2,0,1]=4 2664 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 11a_100000102301_100000188414 [0,1,0,0,0,0|2,0,1]=4 2665 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 1626a_100000102301_100000188414 [0,1,0,0,0,0|2,0,1]=4 2666 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 240690a_100000102301_100000188414 [0,1,0,0,0,0|2,0,1]=4 2667 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000735917 [0,1,0,0,0,0|2,0,1]=4 2668 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 527a_100000102301_100000188414 [0,1,0,0,0,0|2,0,1]=4 2669 B16R1.1216 CCCCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000735917 [0,1,0,0,0,0|2,0,1]=4 2670 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 11a_100000102301_100000199063 [0,1,0,0,0,0|2,0,1]=4 2671 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 1626a_100000102301_100000199063 [0,1,0,0,0,0|2,0,1]=4 2672 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 240690a_100000102301_100000199063 [0,1,0,0,0,0|2,0,1]=4 2673 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 527a_100000102301_100000199063 [0,1,0,0,0,0|2,0,1]=4 2674 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000735917 [0,1,0,0,0,0|2,0,1]=4 2675 B16R1.1216 CCCCNC(=O)C(C)Sc1ccccc1 62a_100000735917_100000041952 [0,1,0,0,0,0|2,0,1]=4 2676 B16R1.1216 CCCCNC(=O)N(C)Cc1ccccc1 2708a_100000102301_100000186898 [0,1,0,0,0,0|2,0,1]=4 2677 B16R1.1216 CCCCNC(=O)N(C)Cc1ccccc1 273464a_100000102301_100000186898 [0,1,0,0,0,0|2,0,1]=4 2678 B16R1.1216 CCCCNC(=O)[C@H](O)Cc1ccccc1 240690a_100000102301_100009816399 [0,1,0,0,0,0|1,0,2]=4 2679 B16R1.1216 CCCCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100000759602 [0,1,0,0,0,0|1,0,1]=3 2680 B16R1.1216 CCCCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100000759602 [0,1,0,0,0,0|1,0,1]=3 2681 B16R1.1216 CCCCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100000759602 [0,1,0,0,0,0|1,0,1]=3 2682 B16R1.1216 CCCCOC(=O)C(C)Oc1cccnc1 34a_100000210849_100000759602 [0,1,0,0,0,0|2,0,1]=4 2683 B16R1.1216 CCCCOC(=O)C(C)Oc1cccnc1 7a_100000210849_100000759602 [0,1,0,0,0,0|2,0,1]=4 2684 B16R1.1216 CCCCOC(=O)C(C)Oc1ccncc1 34a_100000212176_100000759602 [0,1,0,0,0,0|2,0,1]=4 2685 B16R1.1216 CCCCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100000759602 [0,1,0,0,0,0|1,0,1]=3 2686 B16R1.1216 CCCCOC(=O)C(C)Sc1ccccc1 62a_100000759602_100000041952 [0,1,0,0,0,0|1,0,1]=3 2687 B16R1.1216 CCCCOC(=O)C(C)Sc1ccccn1 62a_100000759602_100011216584 [0,1,0,0,0,0|2,0,1]=4 2688 B16R1.1216 CCCCOC(=O)C(C)Sc1ccccn1 62a_100011216584_100000759602 [0,1,0,0,0,0|2,0,1]=4 2689 B16R1.1216 CCCCOC(=O)C(C)Sc1cccnc1 62a_100000210063_100000759602 [0,1,0,0,0,0|2,0,1]=4 2690 B16R1.1216 CCCCOC(=O)C(C)Sc1cccnc1 62a_100000759602_100000210063 [0,1,0,0,0,0|2,0,1]=4 2691 B16R1.1216 CCCCOC(=O)C(C)Sc1ccncc1 62a_100000728582_100000759602 [0,1,0,0,0,0|2,0,1]=4 2692 B16R1.1216 CCCCOC(=O)C(C)Sc1ccncc1 62a_100000759602_100000728582 [0,1,0,0,0,0|2,0,1]=4 2693 B16R1.1216 CCCCOC(C)C(=O)Nc1ccccc1 34a_100000210227_100000183986 [0,1,0,0,0,0|2,0,1]=4 2694 B16R1.1216 CCCCOC(C)C(=O)Nc1ccccc1 7a_100000210227_100000183986 [0,1,0,0,0,0|2,0,1]=4 2695 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000740057_100016990649 [0,1,0,0,0,0|2,0,0]=3 2696 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000740057_200020598536 [0,1,0,0,0,0|2,0,0]=3 2697 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccn1)/C 22a_100000740057_100025712827 [0,1,0,0,0,0|3,0,0]=4 2698 B16R1.1216 CCCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000740057_100020889036 [0,1,0,0,0,0|2,0,0]=3 2699 B16R1.1216 CCCNNC(=O)C(=Cc1cccnc1)F 22a_100000740057_100000731744 [0,1,0,0,0,0|3,0,0]=4 2700 B16R1.1216 CCCNNC(=O)C(=O)Nc1ccccc1 22a_100000740057_100000738435 [0,1,0,0,0,0|3,0,0]=4 2701 B16R1.1216 CCOCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011215890 [0,1,0,0,0,0|2,0,0]=3 2702 B16R1.1216 CCOCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215890 [0,1,0,0,0,0|2,0,0]=3 2703 B16R1.1216 CCOCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011215890 [0,1,0,0,0,0|3,0,0]=4 2704 B16R1.1216 CCOCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215890 [0,1,0,0,0,0|2,0,0]=3 2705 B16R1.1216 CCOCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011215890 [0,1,0,0,0,0|3,0,0]=4 2706 B16R1.1216 CCOCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011215890 [0,1,0,0,0,0|3,0,0]=4 2707 B16R1.1216 CCSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000757381 [0,1,0,0,0,0|2,0,0]=3 2708 B16R1.1216 CCSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000757381 [0,1,0,0,0,0|2,0,0]=3 2709 B16R1.1216 CCSCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000757381 [0,1,0,0,0,0|3,0,0]=4 2710 B16R1.1216 CCSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000757381 [0,1,0,0,0,0|2,0,0]=3 2711 B16R1.1216 CCSCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000757381 [0,1,0,0,0,0|3,0,0]=4 2712 B16R1.1216 CCSCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000757381 [0,1,0,0,0,0|3,0,0]=4 2713 B16R1.1216 COCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000740836 [0,1,0,0,0,0|2,0,0]=3 2714 B16R1.1216 COCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000740836 [0,1,0,0,0,0|2,0,0]=3 2715 B16R1.1216 COCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000740836 [0,1,0,0,0,0|3,0,0]=4 2716 B16R1.1216 COCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000740836 [0,1,0,0,0,0|2,0,0]=3 2717 B16R1.1216 COCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000740836 [0,1,0,0,0,0|3,0,0]=4 2718 B16R1.1216 COCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000740836 [0,1,0,0,0,0|3,0,0]=4 2719 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000209980_100016990649 [0,1,0,0,0,0|2,0,0]=3 2720 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000209980_100016990649 [0,1,0,0,0,0|2,0,0]=3 2721 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000209980_200020598536 [0,1,0,0,0,0|2,0,0]=3 2722 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000209980_200020598536 [0,1,0,0,0,0|2,0,0]=3 2723 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000209980_200020598536 [0,1,0,0,0,0|2,0,0]=3 2724 B16R1.1216 COCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000209980_100025712827 [0,1,0,0,0,0|3,0,0]=4 2725 B16R1.1216 COCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000209980_100025712827 [0,1,0,0,0,0|3,0,0]=4 2726 B16R1.1216 COCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000209980_100020889036 [0,1,0,0,0,0|2,0,0]=3 2727 B16R1.1216 COCCNC(=O)C(=Cc1cccnc1)F 240690a_100000209980_100000731744 [0,1,0,0,0,0|3,0,0]=4 2728 B16R1.1216 COCCNC(=O)C(=Cc1cccnc1)F 527a_100000209980_100000731744 [0,1,0,0,0,0|3,0,0]=4 2729 B16R1.1216 COCCNC(=O)C(=O)Nc1ccccc1 240690a_100000209980_100000738435 [0,1,0,0,0,0|3,0,0]=4 2730 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020590264_100016990649 [0,1,0,0,0,0|2,0,0]=3 2731 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020590264_100016990649 [0,1,0,0,0,0|2,0,0]=3 2732 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020590264_100016990649 [0,1,0,0,0,0|2,0,0]=3 2733 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020590264_200020598536 [0,1,0,0,0,0|2,0,0]=3 2734 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020590264_200020598536 [0,1,0,0,0,0|2,0,0]=3 2735 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020590264_200020598536 [0,1,0,0,0,0|2,0,0]=3 2736 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020590264_200020598536 [0,1,0,0,0,0|2,0,0]=3 2737 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccn1)/C 11a_100020590264_100025712827 [0,1,0,0,0,0|3,0,0]=4 2738 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020590264_100025712827 [0,1,0,0,0,0|3,0,0]=4 2739 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccn1)/C 527a_100020590264_100025712827 [0,1,0,0,0,0|3,0,0]=4 2740 B16R1.1216 CSCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020590264_100020889036 [0,1,0,0,0,0|2,0,0]=3 2741 B16R1.1216 CSCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020590264_100020889036 [0,1,0,0,0,0|2,0,0]=3 2742 B16R1.1216 CSCCNC(=O)C(=Cc1cccnc1)F 11a_100020590264_100000731744 [0,1,0,0,0,0|3,0,0]=4 2743 B16R1.1216 CSCCNC(=O)C(=Cc1cccnc1)F 240690a_100020590264_100000731744 [0,1,0,0,0,0|3,0,0]=4 2744 B16R1.1216 CSCCNC(=O)C(=Cc1cccnc1)F 527a_100020590264_100000731744 [0,1,0,0,0,0|3,0,0]=4 2745 B16R1.1216 CSCCNC(=O)C(=O)Nc1ccccc1 240690a_100020590264_100000738435 [0,1,0,0,0,0|3,0,0]=4 2746 B16R1.1216 N#CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211468 [0,1,0,0,0,0|2,0,1]=4 2747 B16R1.1216 N#CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211468 [0,1,0,0,0,0|2,0,1]=4 2748 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000720768_200020598536 [0,1,0,0,0,0|2,0,1]=4 2749 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000720768_200020598536 [0,1,0,0,0,0|2,0,1]=4 2750 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000720768_200020598536 [0,1,0,0,0,0|2,0,1]=4 2751 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000720768_200020598536 [0,1,0,0,0,0|2,0,1]=4 2752 B16R1.1216 N#CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000720768_100020889036 [0,1,0,0,0,0|2,0,1]=4 2753 B16R1.1216 N#CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000720768_100020889036 [0,1,0,0,0,0|2,0,1]=4 2754 B16R1.1216 O=C(CCCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000729493 [0,1,0,0,0,0|2,0,0]=3 2755 B16R1.1216 O=C(CCCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100000729493 [0,1,0,0,0,0|2,0,0]=3 2756 B16R1.1216 O=C(CCCCF)C(=Cc1cccnc1)F 1458a_100000731744_100000729493 [0,1,0,0,0,0|3,0,0]=4 2757 B16R1.1216 O=C(CCCCF)C(=O)Nc1ccccc1 1458a_100000738435_100000729493 [0,1,0,0,0,0|3,0,0]=4 2758 B16R1.1216 O=C(CCCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210776 [0,1,0,0,0,0|2,0,0]=3 2759 B16R1.1216 O=C(CCCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210776 [0,1,0,0,0,0|2,0,0]=3 2760 B16R1.1216 O=C(CCCCO)C(=Cc1cccnc1)F 1458a_100000731744_100000210776 [0,1,0,0,0,0|3,0,0]=4 2761 B16R1.1216 O=C(CCCCO)C(=O)Nc1ccccc1 1458a_100000738435_100000210776 [0,1,0,0,0,0|3,0,0]=4 2762 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 11a_100015189416_200020598536 [0,1,0,0,0,0|2,0,0]=3 2763 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 1626a_100015189416_200020598536 [0,1,0,0,0,0|2,0,0]=3 2764 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 240690a_100015189416_200020598536 [0,1,0,0,0,0|2,0,0]=3 2765 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 527a_100015189416_200020598536 [0,1,0,0,0,0|2,0,0]=3 2766 B16R1.1216 O=C(NCCCF)/C(=C\c1ccccc1)/F 11a_100015189416_100020889036 [0,1,0,0,0,0|2,0,0]=3 2767 B16R1.1216 O=C(NCCCF)/C(=C\c1ccccc1)/F 527a_100015189416_100020889036 [0,1,0,0,0,0|2,0,0]=3 2768 B16R1.1216 O=C(NCCCF)C(=Cc1cccnc1)F 11a_100015189416_100000731744 [0,1,0,0,0,0|3,0,0]=4 2769 B16R1.1216 O=C(NCCCF)C(=Cc1cccnc1)F 240690a_100015189416_100000731744 [0,1,0,0,0,0|3,0,0]=4 2770 B16R1.1216 O=C(NCCCF)C(=Cc1cccnc1)F 527a_100015189416_100000731744 [0,1,0,0,0,0|3,0,0]=4 2771 B16R1.1216 O=C(NCCCF)C(=O)Nc1ccccc1 240690a_100015189416_100000738435 [0,1,0,0,0,0|3,0,0]=4 2772 B16R1.1216 O=C(NCCCO)/C(=C/c1ccccc1)/Cl 240690a_100000182051_200020598536 [0,1,0,0,0,0|2,0,0]=3 2773 B16R1.1216 O=C(NCCCO)/C(=C/c1ccccc1)/Cl 527a_100000182051_200020598536 [0,1,0,0,0,0|2,0,0]=3 2774 B16R1.1216 O=C(NCCCO)/C(=C\c1ccccc1)/F 527a_100000182051_100020889036 [0,1,0,0,0,0|2,0,0]=3 2775 B16R1.1216 O=C(NCCCO)C(=Cc1cccnc1)F 240690a_100000182051_100000731744 [0,1,0,0,0,0|3,0,0]=4 2776 B16R1.1216 O=C(NCCCO)C(=Cc1cccnc1)F 527a_100000182051_100000731744 [0,1,0,0,0,0|3,0,0]=4 2777 B16R1.1216 O=C(NCCCO)C(=O)Nc1ccccc1 240690a_100000182051_100000738435 [0,1,0,0,0,0|3,0,0]=4 2778 B16R1.1216 O=C(NNCCO)/C(=C/c1ccccc1)/Cl 22a_100000210001_200020598536 [0,1,0,0,0,0|3,0,0]=4 2779 B16R1.1216 O=C(NNCCO)/C(=C\c1ccccc1)/F 22a_100000210001_100020889036 [0,1,0,0,0,0|3,0,0]=4 2780 B16R1.1343 CC(CO)CNC(=O)C=Cc1ccccn1 240690a_100000744482_100000740811 [0,1,0,0,0,0|3,0,0]=4 2781 B16R1.1343 CC(CO)CNC(=O)C=Cc1cccnc1 240690a_100000744482_100000735890 [0,1,0,0,0,0|3,0,0]=4 2782 B16R1.1343 CC(CO)CNC(=O)C=Cc1ccncc1 240690a_100000744482_100000682801 [0,1,0,0,0,0|3,0,0]=4 2783 B16R1.1343 CCC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210202 [0,1,0,0,0,0|1,0,1]=3 2784 B16R1.1343 CCC(=O)NNC(=O)C=Cc1ccccc1 22a_100000183195_100000210462 [0,1,0,0,0,0|2,0,1]=4 2785 B16R1.1343 CCC(C)CCC(=O)CCc1ccccc1 1458a_100000701222_100000765856 [0,1,0,0,0,0|1,0,2]=4 2786 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 2787 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 1626a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 2788 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 2789 B16R1.1343 CCC(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000701222 [0,1,0,0,0,0|2,0,1]=4 2790 B16R1.1343 CCC(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000701222 [0,1,0,0,0,0|3,0,0]=4 2791 B16R1.1343 CCC(C)CNC(=O)C#Cc1ccccc1 240690a_100020588543_100000736102 [0,1,0,0,0,0|1,0,2]=4 2792 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 11a_100020588543_100000210462 [0,1,0,0,0,0|1,0,0]=2 2793 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 1626a_100020588543_100000210462 [0,1,0,0,0,0|1,0,0]=2 2794 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 11a_100020588543_100000740811 [0,1,0,0,0,0|2,0,0]=3 2795 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 240690a_100020588543_100000740811 [0,1,0,0,0,0|2,0,0]=3 2796 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 11a_100020588543_100000735890 [0,1,0,0,0,0|2,0,0]=3 2797 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 240690a_100020588543_100000735890 [0,1,0,0,0,0|2,0,0]=3 2798 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccncc1 240690a_100020588543_100000682801 [0,1,0,0,0,0|2,0,0]=3 2799 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 11a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 2800 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 1626a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 2801 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 240690a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 2802 B16R1.1343 CCC(C)CNC(=O)CCc1ccccc1 527a_100020588543_100000185753 [0,1,0,0,0,0|1,0,2]=4 2803 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 11a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 2804 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 1626a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 2805 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 240690a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 2806 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 527a_100020588543_100000186222 [0,1,0,0,0,0|2,0,1]=4 2807 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 11a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 2808 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 1626a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 2809 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 240690a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 2810 B16R1.1343 CCC(C)CNC(=O)CSc1ccccc1 527a_100020588543_100000211596 [0,1,0,0,0,0|2,0,1]=4 2811 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 2708a_100015324214_100020588543 [0,1,0,0,0,0|2,0,1]=4 2812 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 2708a_100020588543_100015324214 [0,1,0,0,0,0|2,0,1]=4 2813 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 273464a_100015324214_100020588543 [0,1,0,0,0,0|2,0,1]=4 2814 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 273464a_100020588543_100015324214 [0,1,0,0,0,0|2,0,1]=4 2815 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 512a_100015324214_100020588543 [0,1,0,0,0,0|2,0,1]=4 2816 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 512a_100020588543_100015324214 [0,1,0,0,0,0|2,0,1]=4 2817 B16R1.1343 CCC(C)CNC(=O)NNc1ccccc1 273464a_100020588543_100015195140 [0,1,0,0,0,0|3,0,0]=4 2818 B16R1.1343 CCC(C)CNC(=O)NNc1ccccc1 512a_100020588543_100015195140 [0,1,0,0,0,0|3,0,0]=4 2819 B16R1.1343 CCC(C)NN=C(C)C=Cc1ccccc1 4a_100000718999_100000204604 [0,1,0,0,0,0|3,0,0]=4 2820 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccccc1 22a_100000718999_100000210462 [0,1,0,0,0,0|2,0,0]=3 2821 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccccn1 22a_100000718999_100000740811 [0,1,0,0,0,0|3,0,0]=4 2822 B16R1.1343 CCC(C)NNC(=O)C=Cc1cccnc1 22a_100000718999_100000735890 [0,1,0,0,0,0|3,0,0]=4 2823 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccncc1 22a_100000718999_100000682801 [0,1,0,0,0,0|3,0,0]=4 2824 B16R1.1343 CCC(O)CCC(=O)NCc1ccccc1 1626a_100015324214_203496584001 [0,1,0,0,0,0|2,0,1]=4 2825 B16R1.1343 CCC(O)CCC(=O)NCc1ccccc1 240690a_100015324214_203496584001 [0,1,0,0,0,0|2,0,1]=4 2826 B16R1.1343 CCC(O)CCC(=O)NNc1ccccc1 22a_100015195140_203496584001 [0,1,0,0,0,0|3,0,0]=4 2827 B16R1.1343 CCC(O)CNC(=O)C#Cc1ccccc1 240690a_100011218483_100000736102 [0,1,0,0,0,0|1,0,2]=4 2828 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccc1 11a_100011218483_100000210462 [0,1,0,0,0,0|1,0,0]=2 2829 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 11a_100011218483_100000740811 [0,1,0,0,0,0|2,0,0]=3 2830 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 240690a_100011218483_100000740811 [0,1,0,0,0,0|2,0,0]=3 2831 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 11a_100011218483_100000735890 [0,1,0,0,0,0|2,0,0]=3 2832 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 240690a_100011218483_100000735890 [0,1,0,0,0,0|2,0,0]=3 2833 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccncc1 240690a_100011218483_100000682801 [0,1,0,0,0,0|2,0,0]=3 2834 B16R1.1343 CCC(O)CNC(=O)CCc1ccccc1 11a_100011218483_100000185753 [0,1,0,0,0,0|1,0,2]=4 2835 B16R1.1343 CCC(O)CNC(=O)CCc1ccccc1 240690a_100011218483_100000185753 [0,1,0,0,0,0|1,0,2]=4 2836 B16R1.1343 CCC(O)CNC(=O)CCc1ccccc1 527a_100011218483_100000185753 [0,1,0,0,0,0|1,0,2]=4 2837 B16R1.1343 CCC(O)CNC(=O)COc1ccccc1 11a_100011218483_100000186222 [0,1,0,0,0,0|2,0,1]=4 2838 B16R1.1343 CCC(O)CNC(=O)COc1ccccc1 240690a_100011218483_100000186222 [0,1,0,0,0,0|2,0,1]=4 2839 B16R1.1343 CCC(O)CNC(=O)COc1ccccc1 527a_100011218483_100000186222 [0,1,0,0,0,0|2,0,1]=4 2840 B16R1.1343 CCC(O)CNC(=O)CSc1ccccc1 11a_100011218483_100000211596 [0,1,0,0,0,0|2,0,1]=4 2841 B16R1.1343 CCC(O)CNC(=O)CSc1ccccc1 240690a_100011218483_100000211596 [0,1,0,0,0,0|2,0,1]=4 2842 B16R1.1343 CCC(O)CNC(=O)CSc1ccccc1 527a_100011218483_100000211596 [0,1,0,0,0,0|2,0,1]=4 2843 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 2708a_100015324214_100011218483 [0,1,0,0,0,0|2,0,1]=4 2844 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 273464a_100011218483_100015324214 [0,1,0,0,0,0|2,0,1]=4 2845 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 273464a_100015324214_100011218483 [0,1,0,0,0,0|2,0,1]=4 2846 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 512a_100011218483_100015324214 [0,1,0,0,0,0|2,0,1]=4 2847 B16R1.1343 CCC(O)CNC(=O)NNc1ccccc1 273464a_100011218483_100015195140 [0,1,0,0,0,0|3,0,0]=4 2848 B16R1.1343 CCC(O)CNC(=O)NNc1ccccc1 512a_100011218483_100015195140 [0,1,0,0,0,0|3,0,0]=4 2849 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 11a_106832991635_100000183125 [0,1,0,0,0,0|2,0,1]=4 2850 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 240690a_100102657272_100000183125 [0,1,0,0,0,0|2,0,1]=4 2851 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 527a_100102657272_100000183125 [0,1,0,0,0,0|2,0,1]=4 2852 B16R1.1343 CNC(=O)CNC(=O)C=Cc1ccccc1 11a_100000693194_100000210462 [0,1,0,0,0,0|2,0,1]=4 2853 B16R1.1343 COC(=O)CNC(=O)C=Cc1ccccc1 188690a_100000185156_100000210462 [0,1,0,0,0,0|2,0,1]=4 2854 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 11a_100020591295_100000210462 [0,1,0,0,0,0|2,0,0]=3 2855 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 1626a_100020591295_100000210462 [0,1,0,0,0,0|2,0,0]=3 2856 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccn1 11a_100020591295_100000740811 [0,1,0,0,0,0|3,0,0]=4 2857 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccn1 240690a_100020591295_100000740811 [0,1,0,0,0,0|3,0,0]=4 2858 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1cccnc1 11a_100020591295_100000735890 [0,1,0,0,0,0|3,0,0]=4 2859 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1cccnc1 240690a_100020591295_100000735890 [0,1,0,0,0,0|3,0,0]=4 2860 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccncc1 240690a_100020591295_100000682801 [0,1,0,0,0,0|3,0,0]=4 2861 B16R1.1343 O=C(C=Cc1ccccn1)NC[C@@H](F)CO 240690a_100015665980_100000740811 [0,1,0,0,0,0|3,0,0]=4 2862 B16R1.1343 O=C(C=Cc1ccccn1)NC[C@H](O)CO 240690a_100020644852_100000740811 [0,1,0,0,0,0|3,0,0]=4 2863 B16R1.1343 O=C(C=Cc1cccnc1)NC[C@@H](F)CO 240690a_100015665980_100000735890 [0,1,0,0,0,0|3,0,0]=4 2864 B16R1.1343 O=C(C=Cc1cccnc1)NC[C@H](O)CO 240690a_100020644852_100000735890 [0,1,0,0,0,0|3,0,0]=4 2865 B16R1.1343 O=C(C=Cc1ccncc1)NC[C@@H](F)CO 240690a_100015665980_100000682801 [0,1,0,0,0,0|3,0,0]=4 2866 B16R1.1343 O=C(C=Cc1ccncc1)NC[C@H](O)CO 240690a_100020644852_100000682801 [0,1,0,0,0,0|3,0,0]=4 2867 B16R1.1343 O=C(CF)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100015361967 [0,1,0,0,0,0|2,0,1]=4 2868 B16R1.1516 C=CCCN(C)C(=O)C=Cc1ccccc1 11a_100020639649_100000210462 [0,1,0,0,0,0|1,0,2]=4 2869 B16R1.1516 C=CCCN(C)C(=O)C=Cc1ccccc1 1626a_100020639649_100000210462 [0,1,0,0,0,0|1,0,2]=4 2870 B16R1.1516 CCCCC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_200011215066 [0,1,0,0,0,0|1,0,2]=4 2871 B16R1.1516 CCCCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_200011215066 [0,1,0,0,0,0|1,0,0]=2 2872 B16R1.1516 CCCCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_200011215066 [0,1,0,0,0,0|2,0,0]=3 2873 B16R1.1516 CCCCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_200011215066 [0,1,0,0,0,0|2,0,0]=3 2874 B16R1.1516 CCCCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_200011215066 [0,1,0,0,0,0|2,0,0]=3 2875 B16R1.1516 CCCCC(C)C(=O)CCc1ccccc1 1458a_100000185753_200011215066 [0,1,0,0,0,0|1,0,2]=4 2876 B16R1.1516 CCCCC(C)C(=O)CCc1ccccc1 1458a_100000725509_100000765856 [0,1,0,0,0,0|1,0,2]=4 2877 B16R1.1516 CCCCC(C)C(=O)COc1ccccc1 1458a_100000186222_200011215066 [0,1,0,0,0,0|2,0,1]=4 2878 B16R1.1516 CCCCC(C)C(=O)CSc1ccccc1 1458a_100000211596_200011215066 [0,1,0,0,0,0|2,0,1]=4 2879 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 11a_100015324214_100000725509 [0,1,0,0,0,0|2,0,1]=4 2880 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000725509 [0,1,0,0,0,0|2,0,1]=4 2881 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000725509 [0,1,0,0,0,0|2,0,1]=4 2882 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 527a_100015324214_100000725509 [0,1,0,0,0,0|2,0,1]=4 2883 B16R1.1516 CCCCC(C)C(=O)NNc1ccccc1 22a_100015195140_100000725509 [0,1,0,0,0,0|3,0,0]=4 2884 B16R1.1516 CCCCC(O)C(=O)CCc1ccccc1 1458a_100000720857_100000765856 [0,1,0,0,0,0|1,0,2]=4 2885 B16R1.1516 CCCCC(O)C(=O)NCc1ccccc1 240690a_100015324214_100000720857 [0,1,0,0,0,0|2,0,1]=4 2886 B16R1.1516 CCCCC(O)C(=O)NCc1ccccc1 527a_100015324214_100000720857 [0,1,0,0,0,0|2,0,1]=4 2887 B16R1.1516 CCCCC(O)C(=O)NNc1ccccc1 22a_100015195140_100000720857 [0,1,0,0,0,0|3,0,0]=4 2888 B16R1.1516 CCCCN(C)C(=O)C#Cc1ccccc1 240690a_100000207549_100000736102 [0,1,0,0,0,0|1,0,2]=4 2889 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccc1 11a_100000207549_100000210462 [0,1,0,0,0,0|1,0,0]=2 2890 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccc1 1626a_100000207549_100000210462 [0,1,0,0,0,0|1,0,0]=2 2891 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccn1 11a_100000207549_100000740811 [0,1,0,0,0,0|2,0,0]=3 2892 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccn1 240690a_100000207549_100000740811 [0,1,0,0,0,0|2,0,0]=3 2893 B16R1.1516 CCCCN(C)C(=O)C=Cc1cccnc1 11a_100000207549_100000735890 [0,1,0,0,0,0|2,0,0]=3 2894 B16R1.1516 CCCCN(C)C(=O)C=Cc1cccnc1 240690a_100000207549_100000735890 [0,1,0,0,0,0|2,0,0]=3 2895 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccncc1 240690a_100000207549_100000682801 [0,1,0,0,0,0|2,0,0]=3 2896 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 11a_100000207549_100000185753 [0,1,0,0,0,0|1,0,2]=4 2897 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 1626a_100000207549_100000185753 [0,1,0,0,0,0|1,0,2]=4 2898 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 240690a_100000207549_100000185753 [0,1,0,0,0,0|1,0,2]=4 2899 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 527a_100000207549_100000185753 [0,1,0,0,0,0|1,0,2]=4 2900 B16R1.1516 CCCCN(C)C(=O)CNc1ccccc1 34a_100000106764_100000230175 [0,1,0,0,0,0|2,0,1]=4 2901 B16R1.1516 CCCCN(C)C(=O)COc1ccccc1 11a_100000207549_100000186222 [0,1,0,0,0,0|2,0,1]=4 2902 B16R1.1516 CCCCN(C)C(=O)COc1ccccc1 1626a_100000207549_100000186222 [0,1,0,0,0,0|2,0,1]=4 2903 B16R1.1516 CCCCN(C)C(=O)COc1ccccc1 240690a_100000207549_100000186222 [0,1,0,0,0,0|2,0,1]=4 2904 B16R1.1516 CCCCN(C)C(=O)COc1ccccc1 34a_100000210340_100000230175 [0,1,0,0,0,0|2,0,1]=4 2905 B16R1.1516 CCCCN(C)C(=O)COc1ccccc1 527a_100000207549_100000186222 [0,1,0,0,0,0|2,0,1]=4 2906 B16R1.1516 CCCCN(C)C(=O)COc1ccccc1 7a_100000210340_100000230175 [0,1,0,0,0,0|2,0,1]=4 2907 B16R1.1516 CCCCN(C)C(=O)CSc1ccccc1 11a_100000207549_100000211596 [0,1,0,0,0,0|2,0,1]=4 2908 B16R1.1516 CCCCN(C)C(=O)CSc1ccccc1 1626a_100000207549_100000211596 [0,1,0,0,0,0|2,0,1]=4 2909 B16R1.1516 CCCCN(C)C(=O)CSc1ccccc1 240690a_100000207549_100000211596 [0,1,0,0,0,0|2,0,1]=4 2910 B16R1.1516 CCCCN(C)C(=O)CSc1ccccc1 527a_100000207549_100000211596 [0,1,0,0,0,0|2,0,1]=4 2911 B16R1.1516 CCCCN(C)C(=O)CSc1ccccc1 62a_100000230175_100000041952 [0,1,0,0,0,0|2,0,1]=4 2912 B16R1.1516 CCCCN(C)C(=O)CSc1ccccc1 62a_100000719477_100000230175 [0,1,0,0,0,0|2,0,1]=4 2913 B16R1.1516 CCCCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000207549 [0,1,0,0,0,0|2,0,1]=4 2914 B16R1.1516 CCCCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000207549 [0,1,0,0,0,0|2,0,1]=4 2915 B16R1.1516 CN(CCC#N)C(=O)C=Cc1ccccc1 11a_100000184479_100000210462 [0,1,0,0,0,0|2,0,1]=4 2916 B16R1.1516 CN(CCC#N)C(=O)C=Cc1ccccc1 1626a_100000184479_100000210462 [0,1,0,0,0,0|2,0,1]=4 2917 B16R1.1516 CN(CCCO)C(=O)C=Cc1ccccn1 240690a_100000213112_100000740811 [0,1,0,0,0,0|3,0,0]=4 2918 B16R1.1516 CN(CCCO)C(=O)C=Cc1cccnc1 240690a_100000213112_100000735890 [0,1,0,0,0,0|3,0,0]=4 2919 B16R1.1516 CN(CCCO)C(=O)C=Cc1ccncc1 240690a_100000213112_100000682801 [0,1,0,0,0,0|3,0,0]=4 2920 B16R1.1516 COCCN(C)C(=O)C=Cc1ccccc1 11a_100000743101_100000210462 [0,1,0,0,0,0|2,0,0]=3 2921 B16R1.1516 COCCN(C)C(=O)C=Cc1ccccc1 1626a_100000743101_100000210462 [0,1,0,0,0,0|2,0,0]=3 2922 B16R1.1516 COCCN(C)C(=O)C=Cc1ccccn1 11a_100000743101_100000740811 [0,1,0,0,0,0|3,0,0]=4 2923 B16R1.1516 COCCN(C)C(=O)C=Cc1ccccn1 240690a_100000743101_100000740811 [0,1,0,0,0,0|3,0,0]=4 2924 B16R1.1516 COCCN(C)C(=O)C=Cc1cccnc1 11a_100000743101_100000735890 [0,1,0,0,0,0|3,0,0]=4 2925 B16R1.1516 COCCN(C)C(=O)C=Cc1cccnc1 240690a_100000743101_100000735890 [0,1,0,0,0,0|3,0,0]=4 2926 B16R1.1516 COCCN(C)C(=O)C=Cc1ccncc1 240690a_100000743101_100000682801 [0,1,0,0,0,0|3,0,0]=4 2927 B16R1.1516 CSCCN(C)C(=O)C=Cc1ccccc1 11a_100000686725_100000210462 [0,1,0,0,0,0|2,0,0]=3 2928 B16R1.1516 CSCCN(C)C(=O)C=Cc1ccccc1 1626a_100000686725_100000210462 [0,1,0,0,0,0|2,0,0]=3 2929 B16R1.1516 CSCCN(C)C(=O)C=Cc1ccccn1 11a_100000686725_100000740811 [0,1,0,0,0,0|3,0,0]=4 2930 B16R1.1516 CSCCN(C)C(=O)C=Cc1ccccn1 240690a_100000686725_100000740811 [0,1,0,0,0,0|3,0,0]=4 2931 B16R1.1516 CSCCN(C)C(=O)C=Cc1cccnc1 11a_100000686725_100000735890 [0,1,0,0,0,0|3,0,0]=4 2932 B16R1.1516 CSCCN(C)C(=O)C=Cc1cccnc1 240690a_100000686725_100000735890 [0,1,0,0,0,0|3,0,0]=4 2933 B16R1.1516 CSCCN(C)C(=O)C=Cc1ccncc1 240690a_100000686725_100000682801 [0,1,0,0,0,0|3,0,0]=4 2934 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747444 [0,1,0,0,0,0|1,0,1]=3 2935 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000747444 [0,1,0,0,0,0|2,0,1]=4 2936 B16R1.1570 CCCC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000747444 [0,1,0,0,0,0|2,0,1]=4 2937 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000747444 [0,1,0,0,0,0|2,0,1]=4 2938 B16R1.1570 CCCC(C)CC(=O)C#Cc1ccccc1 1458a_100000736102_100011216630 [0,1,0,0,0,0|1,0,2]=4 2939 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011216630 [0,1,0,0,0,0|1,0,0]=2 2940 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011216630 [0,1,0,0,0,0|2,0,0]=3 2941 B16R1.1570 CCCC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011216630 [0,1,0,0,0,0|2,0,0]=3 2942 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011216630 [0,1,0,0,0,0|2,0,0]=3 2943 B16R1.1570 CCCC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100011216630 [0,1,0,0,0,0|1,0,2]=4 2944 B16R1.1570 CCCC(C)CC(=O)CCc1ccccc1 1458a_100000748435_100000765856 [0,1,0,0,0,0|1,0,2]=4 2945 B16R1.1570 CCCC(C)CC(=O)COc1ccccc1 1458a_100000186222_100011216630 [0,1,0,0,0,0|2,0,1]=4 2946 B16R1.1570 CCCC(C)CC(=O)CSc1ccccc1 1458a_100000211596_100011216630 [0,1,0,0,0,0|2,0,1]=4 2947 B16R1.1570 CCCC(C)CC(=O)NCc1ccccc1 11a_100015324214_100000748435 [0,1,0,0,0,0|2,0,1]=4 2948 B16R1.1570 CCCC(C)CC(=O)NCc1ccccc1 1626a_100015324214_100000748435 [0,1,0,0,0,0|2,0,1]=4 2949 B16R1.1570 CCCC(C)CC(=O)NCc1ccccc1 240690a_100015324214_100000748435 [0,1,0,0,0,0|2,0,1]=4 2950 B16R1.1570 CCCC(C)CC(=O)NCc1ccccc1 527a_100015324214_100000748435 [0,1,0,0,0,0|2,0,1]=4 2951 B16R1.1570 CCCC(C)CC(=O)NNc1ccccc1 22a_100015195140_100000748435 [0,1,0,0,0,0|3,0,0]=4 2952 B16R1.1570 CCCC(C)NC(=O)C#Cc1ccccc1 240690a_100000741246_100000736102 [0,1,0,0,0,0|1,0,2]=4 2953 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 11a_100000741246_100000210462 [0,1,0,0,0,0|1,0,0]=2 2954 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 1626a_100000741246_100000210462 [0,1,0,0,0,0|1,0,0]=2 2955 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccn1 11a_100000741246_100000740811 [0,1,0,0,0,0|2,0,0]=3 2956 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccn1 240690a_100000741246_100000740811 [0,1,0,0,0,0|2,0,0]=3 2957 B16R1.1570 CCCC(C)NC(=O)C=Cc1cccnc1 11a_100000741246_100000735890 [0,1,0,0,0,0|2,0,0]=3 2958 B16R1.1570 CCCC(C)NC(=O)C=Cc1cccnc1 240690a_100000741246_100000735890 [0,1,0,0,0,0|2,0,0]=3 2959 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccncc1 240690a_100000741246_100000682801 [0,1,0,0,0,0|2,0,0]=3 2960 B16R1.1570 CCCC(C)NC(=O)CCc1ccccc1 11a_100000741246_100000185753 [0,1,0,0,0,0|1,0,2]=4 2961 B16R1.1570 CCCC(C)NC(=O)CCc1ccccc1 1626a_100000741246_100000185753 [0,1,0,0,0,0|1,0,2]=4 2962 B16R1.1570 CCCC(C)NC(=O)CCc1ccccc1 240690a_100000741246_100000185753 [0,1,0,0,0,0|1,0,2]=4 2963 B16R1.1570 CCCC(C)NC(=O)CCc1ccccc1 527a_100000741246_100000185753 [0,1,0,0,0,0|1,0,2]=4 2964 B16R1.1570 CCCC(C)NC(=O)COc1ccccc1 11a_100000741246_100000186222 [0,1,0,0,0,0|2,0,1]=4 2965 B16R1.1570 CCCC(C)NC(=O)COc1ccccc1 1626a_100000741246_100000186222 [0,1,0,0,0,0|2,0,1]=4 2966 B16R1.1570 CCCC(C)NC(=O)COc1ccccc1 240690a_100000741246_100000186222 [0,1,0,0,0,0|2,0,1]=4 2967 B16R1.1570 CCCC(C)NC(=O)COc1ccccc1 527a_100000741246_100000186222 [0,1,0,0,0,0|2,0,1]=4 2968 B16R1.1570 CCCC(C)NC(=O)CSc1ccccc1 11a_100000741246_100000211596 [0,1,0,0,0,0|2,0,1]=4 2969 B16R1.1570 CCCC(C)NC(=O)CSc1ccccc1 1626a_100000741246_100000211596 [0,1,0,0,0,0|2,0,1]=4 2970 B16R1.1570 CCCC(C)NC(=O)CSc1ccccc1 240690a_100000741246_100000211596 [0,1,0,0,0,0|2,0,1]=4 2971 B16R1.1570 CCCC(C)NC(=O)CSc1ccccc1 527a_100000741246_100000211596 [0,1,0,0,0,0|2,0,1]=4 2972 B16R1.1570 CCCC(C)NC(=O)NCc1ccccc1 2708a_100000741246_100015324214 [0,1,0,0,0,0|2,0,1]=4 2973 B16R1.1570 CCCC(C)NC(=O)NCc1ccccc1 2708a_100015324214_100000741246 [0,1,0,0,0,0|2,0,1]=4 2974 B16R1.1570 CCCC(C)NC(=O)NCc1ccccc1 273464a_100000741246_100015324214 [0,1,0,0,0,0|2,0,1]=4 2975 B16R1.1570 CCCC(C)NC(=O)NCc1ccccc1 512a_100000741246_100015324214 [0,1,0,0,0,0|2,0,1]=4 2976 B16R1.1570 CCCC(C)NC(=O)NCc1ccccc1 512a_100015324214_100000741246 [0,1,0,0,0,0|2,0,1]=4 2977 B16R1.1570 CCCC(C)NC(=O)NNc1ccccc1 273464a_100000741246_100015195140 [0,1,0,0,0,0|3,0,0]=4 2978 B16R1.1570 CCCC(C)NC(=O)NNc1ccccc1 512a_100000741246_100015195140 [0,1,0,0,0,0|3,0,0]=4 2979 B16R1.1570 CCNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183381 [0,1,0,0,0,0|2,0,1]=4 2980 B16R1.1570 CCOC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000188475 [0,1,0,0,0,0|2,0,1]=4 2981 B16R1.1570 CCSC(C)OC(=O)OCc1ccccc1 62a_100000210202_200015597219 [0,1,0,0,0,0|2,0,1]=4 2982 B16R1.1570 CCSC(C)OC(=O)OCc1ccccc1 62a_200015597219_100000210202 [0,1,0,0,0,0|2,0,1]=4 2983 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccc1 11a_100000764878_100000210462 [0,1,0,0,0,0|2,0,0]=3 2984 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccc1 1626a_100000764878_100000210462 [0,1,0,0,0,0|2,0,0]=3 2985 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccn1 11a_100000764878_100000740811 [0,1,0,0,0,0|3,0,0]=4 2986 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccn1 240690a_100000764878_100000740811 [0,1,0,0,0,0|3,0,0]=4 2987 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1cccnc1 11a_100000764878_100000735890 [0,1,0,0,0,0|3,0,0]=4 2988 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1cccnc1 240690a_100000764878_100000735890 [0,1,0,0,0,0|3,0,0]=4 2989 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccncc1 240690a_100000764878_100000682801 [0,1,0,0,0,0|3,0,0]=4 2990 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1ccccc1 11a_100016994482_100000210462 [0,1,0,0,0,0|2,0,1]=4 2991 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1ccccc1 1626a_100016994482_100000210462 [0,1,0,0,0,0|2,0,1]=4 2992 B16R1.1570 C[C@H](CCO)NC(=O)C=Cc1ccccn1 240690a_100000706166_100000740811 [0,1,0,0,0,0|3,0,0]=4 2993 B16R1.1570 C[C@H](CCO)NC(=O)C=Cc1cccnc1 240690a_100000706166_100000735890 [0,1,0,0,0,0|3,0,0]=4 2994 B16R1.1570 C[C@H](CCO)NC(=O)C=Cc1ccncc1 240690a_100000706166_100000682801 [0,1,0,0,0,0|3,0,0]=4 2995 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000731252 [0,1,0,0,0,0|1,0,2]=4 2996 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000731252 [0,1,0,0,0,0|1,0,2]=4 2997 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000731252 [0,1,0,0,0,0|1,0,2]=4 2998 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000731252 [0,1,0,0,0,0|1,0,2]=4 2999 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br 11a_100000755551_100000719032 [0,1,0,0,0,0|1,0,2]=4 3000 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br 1626a_100000755551_100000719032 [0,1,0,0,0,0|1,0,2]=4 3001 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br 240690a_100000755551_100000719032 [0,1,0,0,0,0|1,0,2]=4 3002 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1C 1626a_100000755551_100016266485 [0,1,0,0,0,0|1,0,2]=4 3003 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Cl 11a_100000755551_100000720304 [0,1,0,0,0,0|1,0,2]=4 3004 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Cl 1626a_100000755551_100000720304 [0,1,0,0,0,0|1,0,2]=4 3005 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Cl 240690a_100000755551_100000720304 [0,1,0,0,0,0|1,0,2]=4 3006 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1F 11a_100000755551_100016256065 [0,1,0,0,0,0|1,0,2]=4 3007 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1F 1626a_100000755551_100016256065 [0,1,0,0,0,0|1,0,2]=4 3008 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1F 240690a_100000755551_100016256065 [0,1,0,0,0,0|1,0,2]=4 3009 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000757094 [0,1,0,0,0,0|1,0,2]=4 3010 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000757094 [0,1,0,0,0,0|1,0,2]=4 3011 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000757094 [0,1,0,0,0,0|1,0,2]=4 3012 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000757094 [0,1,0,0,0,0|1,0,2]=4 3013 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 11a_100015191253_100000719032 [0,1,0,0,0,0|1,0,2]=4 3014 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 1626a_100015191253_100000719032 [0,1,0,0,0,0|1,0,2]=4 3015 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 240690a_100015191253_100000719032 [0,1,0,0,0,0|1,0,2]=4 3016 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1C 1626a_100015191253_100016266485 [0,1,0,0,0,0|1,0,2]=4 3017 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 11a_100015191253_100000720304 [0,1,0,0,0,0|1,0,2]=4 3018 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 1626a_100015191253_100000720304 [0,1,0,0,0,0|1,0,2]=4 3019 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 240690a_100015191253_100000720304 [0,1,0,0,0,0|1,0,2]=4 3020 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 11a_100015191253_100016256065 [0,1,0,0,0,0|1,0,2]=4 3021 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 1626a_100015191253_100016256065 [0,1,0,0,0,0|1,0,2]=4 3022 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 240690a_100015191253_100016256065 [0,1,0,0,0,0|1,0,2]=4 3023 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Br 11a_100000685387_100000719032 [0,1,0,0,0,0|1,0,2]=4 3024 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Br 1626a_100000685387_100000719032 [0,1,0,0,0,0|1,0,2]=4 3025 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1C 1626a_100000685387_100016266485 [0,1,0,0,0,0|1,0,2]=4 3026 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Cl 11a_100000685387_100000720304 [0,1,0,0,0,0|1,0,2]=4 3027 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000685387_100000720304 [0,1,0,0,0,0|1,0,2]=4 3028 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1F 11a_100000685387_100016256065 [0,1,0,0,0,0|1,0,2]=4 3029 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1F 1626a_100000685387_100016256065 [0,1,0,0,0,0|1,0,2]=4 3030 B16R1.1696 CC/C=C\CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100103147603 [0,1,0,0,0,0|1,0,2]=4 3031 B16R1.1696 CC/C=C\CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100103147603 [0,1,0,0,0,0|1,0,2]=4 3032 B16R1.1696 CC/C=C\CC(=O)C=Cc1ccccc1F 1458a_100016256065_100103147603 [0,1,0,0,0,0|1,0,2]=4 3033 B16R1.1696 CC/C=C\CC(=O)C=Cc1ccccc1O 1458a_100016263591_100103147603 [0,1,0,0,0,0|1,0,2]=4 3034 B16R1.1696 CCC#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100009813939 [0,1,0,0,0,0|1,0,2]=4 3035 B16R1.1696 CCC#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100009813939 [0,1,0,0,0,0|1,0,2]=4 3036 B16R1.1696 CCC#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100009813939 [0,1,0,0,0,0|1,0,2]=4 3037 B16R1.1696 CCC#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100009813939 [0,1,0,0,0,0|1,0,2]=4 3038 B16R1.1696 CCCCCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210326 [0,1,0,0,0,0|1,0,2]=4 3039 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210326 [0,1,0,0,0,0|1,0,0]=2 3040 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210326 [0,1,0,0,0,0|1,0,0]=2 3041 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210326 [0,1,0,0,0,0|1,0,0]=2 3042 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210326 [0,1,0,0,0,0|1,0,0]=2 3043 B16R1.1696 CCCCCC(=O)CCc1ccccc1Br 1458a_100000212188_100012161201 [0,1,0,0,0,0|1,0,2]=4 3044 B16R1.1696 CCCCCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210326 [0,1,0,0,0,0|1,0,2]=4 3045 B16R1.1696 CCCCCC(=O)CCc1ccccc1C 1458a_100000212188_100011713688 [0,1,0,0,0,0|1,0,2]=4 3046 B16R1.1696 CCCCCC(=O)CCc1ccccc1C 1458a_100000748742_100000210326 [0,1,0,0,0,0|1,0,2]=4 3047 B16R1.1696 CCCCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210326 [0,1,0,0,0,0|1,0,2]=4 3048 B16R1.1696 CCCCCC(=O)CCc1ccccc1Cl 1458a_100000212188_100011713703 [0,1,0,0,0,0|1,0,2]=4 3049 B16R1.1696 CCCCCC(=O)CCc1ccccc1F 1458a_100000189703_100000210326 [0,1,0,0,0,0|1,0,2]=4 3050 B16R1.1696 CCCCCC(=O)CCc1ccccc1F 1458a_100000212188_100000720011 [0,1,0,0,0,0|1,0,2]=4 3051 B16R1.1696 CCCCCC(=O)CCc1ccccc1I 1458a_100000037306_100000210326 [0,1,0,0,0,0|1,0,2]=4 3052 B16R1.1696 CCCCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210326 [0,1,0,0,0,0|1,0,2]=4 3053 B16R1.1696 CCCCCC(=O)CCc1ccccc1O 1458a_100000212188_100000722297 [0,1,0,0,0,0|1,0,2]=4 3054 B16R1.1696 CCCCCC(=O)CNc1ccccc1Br 34a_100000210017_200012276598 [0,1,0,0,0,0|2,0,1]=4 3055 B16R1.1696 CCCCCC(=O)CNc1ccccc1C 34a_100015192222_200012276598 [0,1,0,0,0,0|2,0,1]=4 3056 B16R1.1696 CCCCCC(=O)CNc1ccccc1Cl 34a_100000185783_200012276598 [0,1,0,0,0,0|2,0,1]=4 3057 B16R1.1696 CCCCCC(=O)CNc1ccccc1F 34a_100000210422_200012276598 [0,1,0,0,0,0|2,0,1]=4 3058 B16R1.1696 CCCCCC(=O)CNc1ccccc1I 34a_100000210053_200012276598 [0,1,0,0,0,0|2,0,1]=4 3059 B16R1.1696 CCCCCC(=O)CNc1ccccc1O 34a_100000185747_200012276598 [0,1,0,0,0,0|2,0,1]=4 3060 B16R1.1696 CCCCCC(=O)COc1ccccc1Br 1458a_100000216496_100000210326 [0,1,0,0,0,0|2,0,1]=4 3061 B16R1.1696 CCCCCC(=O)COc1ccccc1Br 34a_100000181306_200012276598 [0,1,0,0,0,0|2,0,1]=4 3062 B16R1.1696 CCCCCC(=O)COc1ccccc1Br 7a_100000181306_200012276598 [0,1,0,0,0,0|2,0,1]=4 3063 B16R1.1696 CCCCCC(=O)COc1ccccc1C 1458a_100000182418_100000210326 [0,1,0,0,0,0|2,0,1]=4 3064 B16R1.1696 CCCCCC(=O)COc1ccccc1C 34a_100000210338_200012276598 [0,1,0,0,0,0|2,0,1]=4 3065 B16R1.1696 CCCCCC(=O)COc1ccccc1C 7a_100000210338_200012276598 [0,1,0,0,0,0|2,0,1]=4 3066 B16R1.1696 CCCCCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210326 [0,1,0,0,0,0|2,0,1]=4 3067 B16R1.1696 CCCCCC(=O)COc1ccccc1Cl 34a_100000210172_200012276598 [0,1,0,0,0,0|2,0,1]=4 3068 B16R1.1696 CCCCCC(=O)COc1ccccc1Cl 7a_100000210172_200012276598 [0,1,0,0,0,0|2,0,1]=4 3069 B16R1.1696 CCCCCC(=O)COc1ccccc1F 1458a_100000182486_100000210326 [0,1,0,0,0,0|2,0,1]=4 3070 B16R1.1696 CCCCCC(=O)COc1ccccc1F 34a_100000210171_200012276598 [0,1,0,0,0,0|2,0,1]=4 3071 B16R1.1696 CCCCCC(=O)COc1ccccc1F 7a_100000210171_200012276598 [0,1,0,0,0,0|2,0,1]=4 3072 B16R1.1696 CCCCCC(=O)COc1ccccc1I 34a_100000739446_200012276598 [0,1,0,0,0,0|2,0,1]=4 3073 B16R1.1696 CCCCCC(=O)COc1ccccc1I 7a_100000739446_200012276598 [0,1,0,0,0,0|2,0,1]=4 3074 B16R1.1696 CCCCCC(=O)COc1ccccc1N 34a_100000185747_200012276598 [0,1,0,0,0,0|2,0,1]=4 3075 B16R1.1696 CCCCCC(=O)COc1ccccc1N 7a_100000185747_200012276598 [0,1,0,0,0,0|2,0,1]=4 3076 B16R1.1696 CCCCCC(=O)COc1ccccc1O 1458a_100000183020_100000210326 [0,1,0,0,0,0|2,0,1]=4 3077 B16R1.1696 CCCCCC(=O)CSc1ccccc1Br 62a_100000695589_200012276598 [0,1,0,0,0,0|2,0,1]=4 3078 B16R1.1696 CCCCCC(=O)CSc1ccccc1Br 62a_200012276598_100000695589 [0,1,0,0,0,0|2,0,1]=4 3079 B16R1.1696 CCCCCC(=O)CSc1ccccc1C 1458a_100000183026_100000210326 [0,1,0,0,0,0|2,0,1]=4 3080 B16R1.1696 CCCCCC(=O)CSc1ccccc1C 62a_100000210755_200012276598 [0,1,0,0,0,0|2,0,1]=4 3081 B16R1.1696 CCCCCC(=O)CSc1ccccc1C 62a_200012276598_100000210755 [0,1,0,0,0,0|2,0,1]=4 3082 B16R1.1696 CCCCCC(=O)CSc1ccccc1Cl 62a_100000764095_200012276598 [0,1,0,0,0,0|2,0,1]=4 3083 B16R1.1696 CCCCCC(=O)CSc1ccccc1Cl 62a_200012276598_100000764095 [0,1,0,0,0,0|2,0,1]=4 3084 B16R1.1696 CCCCCC(=O)CSc1ccccc1F 1458a_100000179528_100000210326 [0,1,0,0,0,0|2,0,1]=4 3085 B16R1.1696 CCCCCC(=O)CSc1ccccc1F 62a_100011215700_200012276598 [0,1,0,0,0,0|2,0,1]=4 3086 B16R1.1696 CCCCCC(=O)CSc1ccccc1F 62a_200012276598_100011215700 [0,1,0,0,0,0|2,0,1]=4 3087 B16R1.1696 CCCCCC(=O)CSc1ccccc1N 62a_100000210017_200012276598 [0,1,0,0,0,0|2,0,1]=4 3088 B16R1.1696 CCCCCC(=O)CSc1ccccc1N 62a_200012276598_100000210017 [0,1,0,0,0,0|2,0,1]=4 3089 B16R1.1696 CCCCCC(=O)CSc1ccccc1O 1458a_100000695322_100000210326 [0,1,0,0,0,0|2,0,1]=4 3090 B16R1.1696 CCCCCC(=O)CSc1ccccc1O 62a_100000739446_200012276598 [0,1,0,0,0,0|2,0,1]=4 3091 B16R1.1696 CCCCCC(=O)CSc1ccccc1O 62a_200012276598_100000739446 [0,1,0,0,0,0|2,0,1]=4 3092 B16R1.1696 CCCCCC(=O)NCc1ccccc1Br 11a_100000689332_100000212188 [0,1,0,0,0,0|2,0,1]=4 3093 B16R1.1696 CCCCCC(=O)NCc1ccccc1Br 1626a_100000689332_100000212188 [0,1,0,0,0,0|2,0,1]=4 3094 B16R1.1696 CCCCCC(=O)NCc1ccccc1Br 240690a_100000689332_100000212188 [0,1,0,0,0,0|2,0,1]=4 3095 B16R1.1696 CCCCCC(=O)NCc1ccccc1Br 527a_100000689332_100000212188 [0,1,0,0,0,0|2,0,1]=4 3096 B16R1.1696 CCCCCC(=O)NCc1ccccc1C 11a_100000174972_100000212188 [0,1,0,0,0,0|2,0,1]=4 3097 B16R1.1696 CCCCCC(=O)NCc1ccccc1C 1626a_100000174972_100000212188 [0,1,0,0,0,0|2,0,1]=4 3098 B16R1.1696 CCCCCC(=O)NCc1ccccc1C 240690a_100000174972_100000212188 [0,1,0,0,0,0|2,0,1]=4 3099 B16R1.1696 CCCCCC(=O)NCc1ccccc1C 527a_100000174972_100000212188 [0,1,0,0,0,0|2,0,1]=4 3100 B16R1.1696 CCCCCC(=O)NCc1ccccc1Cl 11a_100000174879_100000212188 [0,1,0,0,0,0|2,0,1]=4 3101 B16R1.1696 CCCCCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000212188 [0,1,0,0,0,0|2,0,1]=4 3102 B16R1.1696 CCCCCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000212188 [0,1,0,0,0,0|2,0,1]=4 3103 B16R1.1696 CCCCCC(=O)NCc1ccccc1Cl 527a_100000174879_100000212188 [0,1,0,0,0,0|2,0,1]=4 3104 B16R1.1696 CCCCCC(=O)NCc1ccccc1F 11a_100000174869_100000212188 [0,1,0,0,0,0|2,0,1]=4 3105 B16R1.1696 CCCCCC(=O)NCc1ccccc1F 1626a_100000174869_100000212188 [0,1,0,0,0,0|2,0,1]=4 3106 B16R1.1696 CCCCCC(=O)NCc1ccccc1F 240690a_100000174869_100000212188 [0,1,0,0,0,0|2,0,1]=4 3107 B16R1.1696 CCCCCC(=O)NCc1ccccc1F 527a_100000174869_100000212188 [0,1,0,0,0,0|2,0,1]=4 3108 B16R1.1696 CCCCCC(=O)NCc1ccccc1I 11a_100015347259_100000212188 [0,1,0,0,0,0|2,0,1]=4 3109 B16R1.1696 CCCCCC(=O)NCc1ccccc1I 1626a_100015347259_100000212188 [0,1,0,0,0,0|2,0,1]=4 3110 B16R1.1696 CCCCCC(=O)NCc1ccccc1I 240690a_100015347259_100000212188 [0,1,0,0,0,0|2,0,1]=4 3111 B16R1.1696 CCCCCC(=O)NCc1ccccc1I 527a_100015347259_100000212188 [0,1,0,0,0,0|2,0,1]=4 3112 B16R1.1696 CCCCCC(=O)NCc1ccccc1O 240690a_100000185550_100000212188 [0,1,0,0,0,0|2,0,1]=4 3113 B16R1.1696 CCCCCC(=O)NCc1ccccc1O 527a_100000185550_100000212188 [0,1,0,0,0,0|2,0,1]=4 3114 B16R1.1696 CCCCCC(=O)NNc1ccccc1Br 22a_100000241748_100000212188 [0,1,0,0,0,0|3,0,0]=4 3115 B16R1.1696 CCCCCC(=O)NNc1ccccc1C 22a_100000184220_100000212188 [0,1,0,0,0,0|3,0,0]=4 3116 B16R1.1696 CCCCCC(=O)NNc1ccccc1Cl 22a_100000683529_100000212188 [0,1,0,0,0,0|3,0,0]=4 3117 B16R1.1696 CCCCCC(=O)NNc1ccccc1F 22a_100000239246_100000212188 [0,1,0,0,0,0|3,0,0]=4 3118 B16R1.1696 CCCCCC(=O)NNc1ccccc1I 22a_100011218156_100000212188 [0,1,0,0,0,0|3,0,0]=4 3119 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 11a_100000102301_100000719032 [0,1,0,0,0,0|1,0,0]=2 3120 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 1626a_100000102301_100000719032 [0,1,0,0,0,0|1,0,0]=2 3121 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 240690a_100000102301_100000719032 [0,1,0,0,0,0|1,0,0]=2 3122 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1C 1626a_100000102301_100016266485 [0,1,0,0,0,0|1,0,0]=2 3123 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 11a_100000102301_100000720304 [0,1,0,0,0,0|1,0,0]=2 3124 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000102301_100000720304 [0,1,0,0,0,0|1,0,0]=2 3125 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000102301_100000720304 [0,1,0,0,0,0|1,0,0]=2 3126 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 11a_100000102301_100016256065 [0,1,0,0,0,0|1,0,0]=2 3127 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 1626a_100000102301_100016256065 [0,1,0,0,0,0|1,0,0]=2 3128 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 240690a_100000102301_100016256065 [0,1,0,0,0,0|1,0,0]=2 3129 B16R1.1696 CCCCNC(=O)CCc1ccccc1Br 11a_100000102301_100000740810 [0,1,0,0,0,0|1,0,2]=4 3130 B16R1.1696 CCCCNC(=O)CCc1ccccc1Br 1626a_100000102301_100000740810 [0,1,0,0,0,0|1,0,2]=4 3131 B16R1.1696 CCCCNC(=O)CCc1ccccc1Br 240690a_100000102301_100000740810 [0,1,0,0,0,0|1,0,2]=4 3132 B16R1.1696 CCCCNC(=O)CCc1ccccc1Br 527a_100000102301_100000740810 [0,1,0,0,0,0|1,0,2]=4 3133 B16R1.1696 CCCCNC(=O)CCc1ccccc1C 11a_100000102301_100000748742 [0,1,0,0,0,0|1,0,2]=4 3134 B16R1.1696 CCCCNC(=O)CCc1ccccc1C 1626a_100000102301_100000748742 [0,1,0,0,0,0|1,0,2]=4 3135 B16R1.1696 CCCCNC(=O)CCc1ccccc1C 240690a_100000102301_100000748742 [0,1,0,0,0,0|1,0,2]=4 3136 B16R1.1696 CCCCNC(=O)CCc1ccccc1C 527a_100000102301_100000748742 [0,1,0,0,0,0|1,0,2]=4 3137 B16R1.1696 CCCCNC(=O)CCc1ccccc1Cl 11a_100000102301_100000184300 [0,1,0,0,0,0|1,0,2]=4 3138 B16R1.1696 CCCCNC(=O)CCc1ccccc1Cl 1626a_100000102301_100000184300 [0,1,0,0,0,0|1,0,2]=4 3139 B16R1.1696 CCCCNC(=O)CCc1ccccc1Cl 240690a_100000102301_100000184300 [0,1,0,0,0,0|1,0,2]=4 3140 B16R1.1696 CCCCNC(=O)CCc1ccccc1Cl 527a_100000102301_100000184300 [0,1,0,0,0,0|1,0,2]=4 3141 B16R1.1696 CCCCNC(=O)CCc1ccccc1F 11a_100000102301_100000189703 [0,1,0,0,0,0|1,0,2]=4 3142 B16R1.1696 CCCCNC(=O)CCc1ccccc1F 1626a_100000102301_100000189703 [0,1,0,0,0,0|1,0,2]=4 3143 B16R1.1696 CCCCNC(=O)CCc1ccccc1F 240690a_100000102301_100000189703 [0,1,0,0,0,0|1,0,2]=4 3144 B16R1.1696 CCCCNC(=O)CCc1ccccc1F 527a_100000102301_100000189703 [0,1,0,0,0,0|1,0,2]=4 3145 B16R1.1696 CCCCNC(=O)CCc1ccccc1I 11a_100000102301_100000037306 [0,1,0,0,0,0|1,0,2]=4 3146 B16R1.1696 CCCCNC(=O)CCc1ccccc1I 1626a_100000102301_100000037306 [0,1,0,0,0,0|1,0,2]=4 3147 B16R1.1696 CCCCNC(=O)CCc1ccccc1I 240690a_100000102301_100000037306 [0,1,0,0,0,0|1,0,2]=4 3148 B16R1.1696 CCCCNC(=O)CCc1ccccc1I 527a_100000102301_100000037306 [0,1,0,0,0,0|1,0,2]=4 3149 B16R1.1696 CCCCNC(=O)CCc1ccccc1O 11a_100000102301_100000181328 [0,1,0,0,0,0|1,0,2]=4 3150 B16R1.1696 CCCCNC(=O)CCc1ccccc1O 240690a_100000102301_100000181328 [0,1,0,0,0,0|1,0,2]=4 3151 B16R1.1696 CCCCNC(=O)CCc1ccccc1O 527a_100000102301_100000181328 [0,1,0,0,0,0|1,0,2]=4 3152 B16R1.1696 CCCCNC(=O)CNc1ccccc1Br 34a_100000210017_100000182744 [0,1,0,0,0,0|2,0,1]=4 3153 B16R1.1696 CCCCNC(=O)CNc1ccccc1C 34a_100015192222_100000182744 [0,1,0,0,0,0|2,0,1]=4 3154 B16R1.1696 CCCCNC(=O)CNc1ccccc1Cl 34a_100000185783_100000182744 [0,1,0,0,0,0|2,0,1]=4 3155 B16R1.1696 CCCCNC(=O)CNc1ccccc1F 34a_100000210422_100000182744 [0,1,0,0,0,0|2,0,1]=4 3156 B16R1.1696 CCCCNC(=O)CNc1ccccc1I 34a_100000210053_100000182744 [0,1,0,0,0,0|2,0,1]=4 3157 B16R1.1696 CCCCNC(=O)CNc1ccccc1O 34a_100000185747_100000182744 [0,1,0,0,0,0|2,0,1]=4 3158 B16R1.1696 CCCCNC(=O)COc1ccccc1Br 11a_100000102301_100000216496 [0,1,0,0,0,0|2,0,1]=4 3159 B16R1.1696 CCCCNC(=O)COc1ccccc1Br 1626a_100000102301_100000216496 [0,1,0,0,0,0|2,0,1]=4 3160 B16R1.1696 CCCCNC(=O)COc1ccccc1Br 240690a_100000102301_100000216496 [0,1,0,0,0,0|2,0,1]=4 3161 B16R1.1696 CCCCNC(=O)COc1ccccc1Br 34a_100000181306_100000182744 [0,1,0,0,0,0|2,0,1]=4 3162 B16R1.1696 CCCCNC(=O)COc1ccccc1Br 527a_100000102301_100000216496 [0,1,0,0,0,0|2,0,1]=4 3163 B16R1.1696 CCCCNC(=O)COc1ccccc1Br 7a_100000181306_100000182744 [0,1,0,0,0,0|2,0,1]=4 3164 B16R1.1696 CCCCNC(=O)COc1ccccc1C 11a_100000102301_100000182418 [0,1,0,0,0,0|2,0,1]=4 3165 B16R1.1696 CCCCNC(=O)COc1ccccc1C 1626a_100000102301_100000182418 [0,1,0,0,0,0|2,0,1]=4 3166 B16R1.1696 CCCCNC(=O)COc1ccccc1C 240690a_100000102301_100000182418 [0,1,0,0,0,0|2,0,1]=4 3167 B16R1.1696 CCCCNC(=O)COc1ccccc1C 34a_100000210338_100000182744 [0,1,0,0,0,0|2,0,1]=4 3168 B16R1.1696 CCCCNC(=O)COc1ccccc1C 527a_100000102301_100000182418 [0,1,0,0,0,0|2,0,1]=4 3169 B16R1.1696 CCCCNC(=O)COc1ccccc1C 7a_100000210338_100000182744 [0,1,0,0,0,0|2,0,1]=4 3170 B16R1.1696 CCCCNC(=O)COc1ccccc1Cl 11a_100000102301_100000185159 [0,1,0,0,0,0|2,0,1]=4 3171 B16R1.1696 CCCCNC(=O)COc1ccccc1Cl 1626a_100000102301_100000185159 [0,1,0,0,0,0|2,0,1]=4 3172 B16R1.1696 CCCCNC(=O)COc1ccccc1Cl 240690a_100000102301_100000185159 [0,1,0,0,0,0|2,0,1]=4 3173 B16R1.1696 CCCCNC(=O)COc1ccccc1Cl 34a_100000210172_100000182744 [0,1,0,0,0,0|2,0,1]=4 3174 B16R1.1696 CCCCNC(=O)COc1ccccc1Cl 527a_100000102301_100000185159 [0,1,0,0,0,0|2,0,1]=4 3175 B16R1.1696 CCCCNC(=O)COc1ccccc1Cl 7a_100000210172_100000182744 [0,1,0,0,0,0|2,0,1]=4 3176 B16R1.1696 CCCCNC(=O)COc1ccccc1F 11a_100000102301_100000182486 [0,1,0,0,0,0|2,0,1]=4 3177 B16R1.1696 CCCCNC(=O)COc1ccccc1F 1626a_100000102301_100000182486 [0,1,0,0,0,0|2,0,1]=4 3178 B16R1.1696 CCCCNC(=O)COc1ccccc1F 240690a_100000102301_100000182486 [0,1,0,0,0,0|2,0,1]=4 3179 B16R1.1696 CCCCNC(=O)COc1ccccc1F 34a_100000210171_100000182744 [0,1,0,0,0,0|2,0,1]=4 3180 B16R1.1696 CCCCNC(=O)COc1ccccc1F 527a_100000102301_100000182486 [0,1,0,0,0,0|2,0,1]=4 3181 B16R1.1696 CCCCNC(=O)COc1ccccc1F 7a_100000210171_100000182744 [0,1,0,0,0,0|2,0,1]=4 3182 B16R1.1696 CCCCNC(=O)COc1ccccc1I 34a_100000739446_100000182744 [0,1,0,0,0,0|2,0,1]=4 3183 B16R1.1696 CCCCNC(=O)COc1ccccc1I 7a_100000739446_100000182744 [0,1,0,0,0,0|2,0,1]=4 3184 B16R1.1696 CCCCNC(=O)COc1ccccc1N 34a_100000185747_100000182744 [0,1,0,0,0,0|2,0,1]=4 3185 B16R1.1696 CCCCNC(=O)COc1ccccc1N 7a_100000185747_100000182744 [0,1,0,0,0,0|2,0,1]=4 3186 B16R1.1696 CCCCNC(=O)COc1ccccc1O 240690a_100000102301_100000183020 [0,1,0,0,0,0|2,0,1]=4 3187 B16R1.1696 CCCCNC(=O)COc1ccccc1O 527a_100000102301_100000183020 [0,1,0,0,0,0|2,0,1]=4 3188 B16R1.1696 CCCCNC(=O)CSc1ccccc1Br 62a_100000182744_100000695589 [0,1,0,0,0,0|2,0,1]=4 3189 B16R1.1696 CCCCNC(=O)CSc1ccccc1Br 62a_100000695589_100000182744 [0,1,0,0,0,0|2,0,1]=4 3190 B16R1.1696 CCCCNC(=O)CSc1ccccc1C 11a_100000102301_100000183026 [0,1,0,0,0,0|2,0,1]=4 3191 B16R1.1696 CCCCNC(=O)CSc1ccccc1C 1626a_100000102301_100000183026 [0,1,0,0,0,0|2,0,1]=4 3192 B16R1.1696 CCCCNC(=O)CSc1ccccc1C 240690a_100000102301_100000183026 [0,1,0,0,0,0|2,0,1]=4 3193 B16R1.1696 CCCCNC(=O)CSc1ccccc1C 527a_100000102301_100000183026 [0,1,0,0,0,0|2,0,1]=4 3194 B16R1.1696 CCCCNC(=O)CSc1ccccc1C 62a_100000182744_100000210755 [0,1,0,0,0,0|2,0,1]=4 3195 B16R1.1696 CCCCNC(=O)CSc1ccccc1C 62a_100000210755_100000182744 [0,1,0,0,0,0|2,0,1]=4 3196 B16R1.1696 CCCCNC(=O)CSc1ccccc1Cl 62a_100000182744_100000764095 [0,1,0,0,0,0|2,0,1]=4 3197 B16R1.1696 CCCCNC(=O)CSc1ccccc1Cl 62a_100000764095_100000182744 [0,1,0,0,0,0|2,0,1]=4 3198 B16R1.1696 CCCCNC(=O)CSc1ccccc1F 11a_100000102301_100000179528 [0,1,0,0,0,0|2,0,1]=4 3199 B16R1.1696 CCCCNC(=O)CSc1ccccc1F 1626a_100000102301_100000179528 [0,1,0,0,0,0|2,0,1]=4 3200 B16R1.1696 CCCCNC(=O)CSc1ccccc1F 240690a_100000102301_100000179528 [0,1,0,0,0,0|2,0,1]=4 3201 B16R1.1696 CCCCNC(=O)CSc1ccccc1F 62a_100000182744_100011215700 [0,1,0,0,0,0|2,0,1]=4 3202 B16R1.1696 CCCCNC(=O)CSc1ccccc1F 62a_100011215700_100000182744 [0,1,0,0,0,0|2,0,1]=4 3203 B16R1.1696 CCCCNC(=O)CSc1ccccc1N 62a_100000182744_100000210017 [0,1,0,0,0,0|2,0,1]=4 3204 B16R1.1696 CCCCNC(=O)CSc1ccccc1N 62a_100000210017_100000182744 [0,1,0,0,0,0|2,0,1]=4 3205 B16R1.1696 CCCCNC(=O)CSc1ccccc1O 240690a_100000102301_100000695322 [0,1,0,0,0,0|2,0,1]=4 3206 B16R1.1696 CCCCNC(=O)CSc1ccccc1O 527a_100000102301_100000695322 [0,1,0,0,0,0|2,0,1]=4 3207 B16R1.1696 CCCCNC(=O)CSc1ccccc1O 62a_100000182744_100000739446 [0,1,0,0,0,0|2,0,1]=4 3208 B16R1.1696 CCCCNC(=O)CSc1ccccc1O 62a_100000739446_100000182744 [0,1,0,0,0,0|2,0,1]=4 3209 B16R1.1696 CCCCNC(=O)NCc1ccccc1Br 2708a_100000102301_100000689332 [0,1,0,0,0,0|2,0,1]=4 3210 B16R1.1696 CCCCNC(=O)NCc1ccccc1Br 2708a_100000689332_100000102301 [0,1,0,0,0,0|2,0,1]=4 3211 B16R1.1696 CCCCNC(=O)NCc1ccccc1Br 273464a_100000102301_100000689332 [0,1,0,0,0,0|2,0,1]=4 3212 B16R1.1696 CCCCNC(=O)NCc1ccccc1Br 273464a_100000689332_100000102301 [0,1,0,0,0,0|2,0,1]=4 3213 B16R1.1696 CCCCNC(=O)NCc1ccccc1Br 512a_100000102301_100000689332 [0,1,0,0,0,0|2,0,1]=4 3214 B16R1.1696 CCCCNC(=O)NCc1ccccc1Br 512a_100000689332_100000102301 [0,1,0,0,0,0|2,0,1]=4 3215 B16R1.1696 CCCCNC(=O)NCc1ccccc1C 2708a_100000102301_100000174972 [0,1,0,0,0,0|2,0,1]=4 3216 B16R1.1696 CCCCNC(=O)NCc1ccccc1C 2708a_100000174972_100000102301 [0,1,0,0,0,0|2,0,1]=4 3217 B16R1.1696 CCCCNC(=O)NCc1ccccc1C 273464a_100000102301_100000174972 [0,1,0,0,0,0|2,0,1]=4 3218 B16R1.1696 CCCCNC(=O)NCc1ccccc1C 273464a_100000174972_100000102301 [0,1,0,0,0,0|2,0,1]=4 3219 B16R1.1696 CCCCNC(=O)NCc1ccccc1C 512a_100000102301_100000174972 [0,1,0,0,0,0|2,0,1]=4 3220 B16R1.1696 CCCCNC(=O)NCc1ccccc1C 512a_100000174972_100000102301 [0,1,0,0,0,0|2,0,1]=4 3221 B16R1.1696 CCCCNC(=O)NCc1ccccc1Cl 2708a_100000102301_100000174879 [0,1,0,0,0,0|2,0,1]=4 3222 B16R1.1696 CCCCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100000102301 [0,1,0,0,0,0|2,0,1]=4 3223 B16R1.1696 CCCCNC(=O)NCc1ccccc1Cl 273464a_100000102301_100000174879 [0,1,0,0,0,0|2,0,1]=4 3224 B16R1.1696 CCCCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100000102301 [0,1,0,0,0,0|2,0,1]=4 3225 B16R1.1696 CCCCNC(=O)NCc1ccccc1Cl 512a_100000102301_100000174879 [0,1,0,0,0,0|2,0,1]=4 3226 B16R1.1696 CCCCNC(=O)NCc1ccccc1F 2708a_100000102301_100000174869 [0,1,0,0,0,0|2,0,1]=4 3227 B16R1.1696 CCCCNC(=O)NCc1ccccc1F 2708a_100000174869_100000102301 [0,1,0,0,0,0|2,0,1]=4 3228 B16R1.1696 CCCCNC(=O)NCc1ccccc1F 273464a_100000102301_100000174869 [0,1,0,0,0,0|2,0,1]=4 3229 B16R1.1696 CCCCNC(=O)NCc1ccccc1F 273464a_100000174869_100000102301 [0,1,0,0,0,0|2,0,1]=4 3230 B16R1.1696 CCCCNC(=O)NCc1ccccc1F 512a_100000102301_100000174869 [0,1,0,0,0,0|2,0,1]=4 3231 B16R1.1696 CCCCNC(=O)NCc1ccccc1F 512a_100000174869_100000102301 [0,1,0,0,0,0|2,0,1]=4 3232 B16R1.1696 CCCCNC(=O)NCc1ccccc1I 2708a_100000102301_100015347259 [0,1,0,0,0,0|2,0,1]=4 3233 B16R1.1696 CCCCNC(=O)NCc1ccccc1I 2708a_100015347259_100000102301 [0,1,0,0,0,0|2,0,1]=4 3234 B16R1.1696 CCCCNC(=O)NCc1ccccc1I 273464a_100000102301_100015347259 [0,1,0,0,0,0|2,0,1]=4 3235 B16R1.1696 CCCCNC(=O)NCc1ccccc1I 273464a_100015347259_100000102301 [0,1,0,0,0,0|2,0,1]=4 3236 B16R1.1696 CCCCNC(=O)NCc1ccccc1I 512a_100000102301_100015347259 [0,1,0,0,0,0|2,0,1]=4 3237 B16R1.1696 CCCCNC(=O)NCc1ccccc1I 512a_100015347259_100000102301 [0,1,0,0,0,0|2,0,1]=4 3238 B16R1.1696 CCCCNC(=O)NCc1ccccc1O 2708a_100000102301_100000185550 [0,1,0,0,0,0|2,0,1]=4 3239 B16R1.1696 CCCCNC(=O)NCc1ccccc1O 2708a_100000185550_100000102301 [0,1,0,0,0,0|2,0,1]=4 3240 B16R1.1696 CCCCNC(=O)NCc1ccccc1O 273464a_100000102301_100000185550 [0,1,0,0,0,0|2,0,1]=4 3241 B16R1.1696 CCCCNC(=O)NCc1ccccc1O 273464a_100000185550_100000102301 [0,1,0,0,0,0|2,0,1]=4 3242 B16R1.1696 CCCCNC(=O)NCc1ccccc1O 512a_100000185550_100000102301 [0,1,0,0,0,0|2,0,1]=4 3243 B16R1.1696 CCCCNC(=O)NNc1ccccc1Br 273464a_100000102301_100000241748 [0,1,0,0,0,0|3,0,0]=4 3244 B16R1.1696 CCCCNC(=O)NNc1ccccc1Br 512a_100000102301_100000241748 [0,1,0,0,0,0|3,0,0]=4 3245 B16R1.1696 CCCCNC(=O)NNc1ccccc1C 273464a_100000102301_100000184220 [0,1,0,0,0,0|3,0,0]=4 3246 B16R1.1696 CCCCNC(=O)NNc1ccccc1C 512a_100000102301_100000184220 [0,1,0,0,0,0|3,0,0]=4 3247 B16R1.1696 CCCCNC(=O)NNc1ccccc1Cl 273464a_100000102301_100000683529 [0,1,0,0,0,0|3,0,0]=4 3248 B16R1.1696 CCCCNC(=O)NNc1ccccc1Cl 512a_100000102301_100000683529 [0,1,0,0,0,0|3,0,0]=4 3249 B16R1.1696 CCCCNC(=O)NNc1ccccc1F 273464a_100000102301_100000239246 [0,1,0,0,0,0|3,0,0]=4 3250 B16R1.1696 CCCCNC(=O)NNc1ccccc1F 512a_100000102301_100000239246 [0,1,0,0,0,0|3,0,0]=4 3251 B16R1.1696 CCCCNC(=O)NNc1ccccc1I 273464a_100000102301_100011218156 [0,1,0,0,0,0|3,0,0]=4 3252 B16R1.1696 CCCCNC(=O)NNc1ccccc1I 512a_100000102301_100011218156 [0,1,0,0,0,0|3,0,0]=4 3253 B16R1.1696 CCCCOC(=O)CNc1ccccc1Br 34a_100000210017_100000211628 [0,1,0,0,0,0|1,0,1]=3 3254 B16R1.1696 CCCCOC(=O)CNc1ccccc1C 34a_100015192222_100000211628 [0,1,0,0,0,0|1,0,1]=3 3255 B16R1.1696 CCCCOC(=O)CNc1ccccc1Cl 34a_100000185783_100000211628 [0,1,0,0,0,0|1,0,1]=3 3256 B16R1.1696 CCCCOC(=O)CNc1ccccc1F 34a_100000210422_100000211628 [0,1,0,0,0,0|1,0,1]=3 3257 B16R1.1696 CCCCOC(=O)CNc1ccccc1I 34a_100000210053_100000211628 [0,1,0,0,0,0|1,0,1]=3 3258 B16R1.1696 CCCCOC(=O)CNc1ccccc1O 34a_100000185747_100000211628 [0,1,0,0,0,0|1,0,1]=3 3259 B16R1.1696 CCCCOC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000211628 [0,1,0,0,0,0|2,0,1]=4 3260 B16R1.1696 CCCCOC(=O)COc1ccccc1Br 34a_100000181306_100000211628 [0,1,0,0,0,0|1,0,1]=3 3261 B16R1.1696 CCCCOC(=O)COc1ccccc1Br 7a_100000181306_100000211628 [0,1,0,0,0,0|1,0,1]=3 3262 B16R1.1696 CCCCOC(=O)COc1ccccc1C 34a_100000210338_100000211628 [0,1,0,0,0,0|1,0,1]=3 3263 B16R1.1696 CCCCOC(=O)COc1ccccc1C 7a_100000210338_100000211628 [0,1,0,0,0,0|1,0,1]=3 3264 B16R1.1696 CCCCOC(=O)COc1ccccc1Cl 34a_100000210172_100000211628 [0,1,0,0,0,0|1,0,1]=3 3265 B16R1.1696 CCCCOC(=O)COc1ccccc1Cl 7a_100000210172_100000211628 [0,1,0,0,0,0|1,0,1]=3 3266 B16R1.1696 CCCCOC(=O)COc1ccccc1F 34a_100000210171_100000211628 [0,1,0,0,0,0|1,0,1]=3 3267 B16R1.1696 CCCCOC(=O)COc1ccccc1F 7a_100000210171_100000211628 [0,1,0,0,0,0|1,0,1]=3 3268 B16R1.1696 CCCCOC(=O)COc1ccccc1I 34a_100000739446_100000211628 [0,1,0,0,0,0|1,0,1]=3 3269 B16R1.1696 CCCCOC(=O)COc1ccccc1I 7a_100000739446_100000211628 [0,1,0,0,0,0|1,0,1]=3 3270 B16R1.1696 CCCCOC(=O)COc1ccccc1N 34a_100000185747_100000211628 [0,1,0,0,0,0|1,0,1]=3 3271 B16R1.1696 CCCCOC(=O)COc1ccccc1N 7a_100000185747_100000211628 [0,1,0,0,0,0|1,0,1]=3 3272 B16R1.1696 CCCCOC(=O)COc1cccnc1Br 34a_100000744436_100000211628 [0,1,0,0,0,0|2,0,1]=4 3273 B16R1.1696 CCCCOC(=O)COc1cccnc1Br 7a_100000744436_100000211628 [0,1,0,0,0,0|2,0,1]=4 3274 B16R1.1696 CCCCOC(=O)COc1cccnc1C 34a_100000745507_100000211628 [0,1,0,0,0,0|2,0,1]=4 3275 B16R1.1696 CCCCOC(=O)COc1cccnc1C 7a_100000745507_100000211628 [0,1,0,0,0,0|2,0,1]=4 3276 B16R1.1696 CCCCOC(=O)COc1cccnc1Cl 34a_100000757616_100000211628 [0,1,0,0,0,0|2,0,1]=4 3277 B16R1.1696 CCCCOC(=O)COc1cccnc1Cl 7a_100000757616_100000211628 [0,1,0,0,0,0|2,0,1]=4 3278 B16R1.1696 CCCCOC(=O)COc1cccnc1F 34a_100000061740_100000211628 [0,1,0,0,0,0|2,0,1]=4 3279 B16R1.1696 CCCCOC(=O)COc1cccnc1F 7a_100000061740_100000211628 [0,1,0,0,0,0|2,0,1]=4 3280 B16R1.1696 CCCCOC(=O)COc1cccnc1I 34a_100000034122_100000211628 [0,1,0,0,0,0|2,0,1]=4 3281 B16R1.1696 CCCCOC(=O)COc1cccnc1I 7a_100000034122_100000211628 [0,1,0,0,0,0|2,0,1]=4 3282 B16R1.1696 CCCCOC(=O)COc1cccnc1N 34a_100000211975_100000211628 [0,1,0,0,0,0|2,0,1]=4 3283 B16R1.1696 CCCCOC(=O)COc1cccnc1N 7a_100000211975_100000211628 [0,1,0,0,0,0|2,0,1]=4 3284 B16R1.1696 CCCCOC(=O)COc1cccoc1=O 34a_100000077404_100000211628 [0,1,0,0,0,0|2,0,1]=4 3285 B16R1.1696 CCCCOC(=O)COc1cccoc1=O 7a_100000077404_100000211628 [0,1,0,0,0,0|2,0,1]=4 3286 B16R1.1696 CCCCOC(=O)COc1ccncc1Br 34a_100011996408_100000211628 [0,1,0,0,0,0|2,0,1]=4 3287 B16R1.1696 CCCCOC(=O)COc1ccncc1C 34a_100000694293_100000211628 [0,1,0,0,0,0|2,0,1]=4 3288 B16R1.1696 CCCCOC(=O)COc1ccncc1Cl 34a_100011997054_100000211628 [0,1,0,0,0,0|2,0,1]=4 3289 B16R1.1696 CCCCOC(=O)COc1ccncc1F 34a_200000081243_100000211628 [0,1,0,0,0,0|2,0,1]=4 3290 B16R1.1696 CCCCOC(=O)COc1cnccc1C 34a_100011997053_100000211628 [0,1,0,0,0,0|2,0,1]=4 3291 B16R1.1696 CCCCOC(=O)COc1cnccc1C 7a_100011997053_100000211628 [0,1,0,0,0,0|2,0,1]=4 3292 B16R1.1696 CCCCOC(=O)COc1cnccc1Cl 34a_100011996695_100000211628 [0,1,0,0,0,0|2,0,1]=4 3293 B16R1.1696 CCCCOC(=O)COc1cnccc1I 34a_100000050107_100000211628 [0,1,0,0,0,0|2,0,1]=4 3294 B16R1.1696 CCCCOC(=O)COc1cnccc1N 34a_100000753702_100000211628 [0,1,0,0,0,0|2,0,1]=4 3295 B16R1.1696 CCCCOC(=O)COc1coccc1=O 34a_100000060831_100000211628 [0,1,0,0,0,0|2,0,1]=4 3296 B16R1.1696 CCCCOC(=O)COc1ncccc1Cl 34a_100011290957_100000211628 [0,1,0,0,0,0|2,0,1]=4 3297 B16R1.1696 CCCCOC(=O)COc1ncccc1F 34a_100011219419_100000211628 [0,1,0,0,0,0|2,0,1]=4 3298 B16R1.1696 CCCCOC(=O)COc1ncccc1N 34a_100000746358_100000211628 [0,1,0,0,0,0|2,0,1]=4 3299 B16R1.1696 CCCCOC(=O)CSc1c[nH]ccc1=O 62a_100000211628_100009998708 [0,1,0,0,0,0|2,0,1]=4 3300 B16R1.1696 CCCCOC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000211628 [0,1,0,0,0,0|2,0,1]=4 3301 B16R1.1696 CCCCOC(=O)CSc1c[nH]ccc1=S 62a_100000211628_200012280681 [0,1,0,0,0,0|2,0,1]=4 3302 B16R1.1696 CCCCOC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000211628 [0,1,0,0,0,0|2,0,1]=4 3303 B16R1.1696 CCCCOC(=O)CSc1cccc[n+]1C 62a_100000211628_100000212160 [0,1,0,0,0,0|2,0,1]=4 3304 B16R1.1696 CCCCOC(=O)CSc1cccc[n+]1[O-] 62a_100000211628_200000042595 [0,1,0,0,0,0|2,0,1]=4 3305 B16R1.1696 CCCCOC(=O)CSc1ccccc1Br 62a_100000211628_100000695589 [0,1,0,0,0,0|1,0,1]=3 3306 B16R1.1696 CCCCOC(=O)CSc1ccccc1Br 62a_100000695589_100000211628 [0,1,0,0,0,0|1,0,1]=3 3307 B16R1.1696 CCCCOC(=O)CSc1ccccc1C 62a_100000210755_100000211628 [0,1,0,0,0,0|1,0,1]=3 3308 B16R1.1696 CCCCOC(=O)CSc1ccccc1C 62a_100000211628_100000210755 [0,1,0,0,0,0|1,0,1]=3 3309 B16R1.1696 CCCCOC(=O)CSc1ccccc1Cl 62a_100000211628_100000764095 [0,1,0,0,0,0|1,0,1]=3 3310 B16R1.1696 CCCCOC(=O)CSc1ccccc1Cl 62a_100000764095_100000211628 [0,1,0,0,0,0|1,0,1]=3 3311 B16R1.1696 CCCCOC(=O)CSc1ccccc1F 62a_100000211628_100011215700 [0,1,0,0,0,0|1,0,1]=3 3312 B16R1.1696 CCCCOC(=O)CSc1ccccc1F 62a_100011215700_100000211628 [0,1,0,0,0,0|1,0,1]=3 3313 B16R1.1696 CCCCOC(=O)CSc1ccccc1N 62a_100000210017_100000211628 [0,1,0,0,0,0|1,0,1]=3 3314 B16R1.1696 CCCCOC(=O)CSc1ccccc1N 62a_100000211628_100000210017 [0,1,0,0,0,0|1,0,1]=3 3315 B16R1.1696 CCCCOC(=O)CSc1ccccc1O 62a_100000211628_100000739446 [0,1,0,0,0,0|1,0,1]=3 3316 B16R1.1696 CCCCOC(=O)CSc1ccccc1O 62a_100000739446_100000211628 [0,1,0,0,0,0|1,0,1]=3 3317 B16R1.1696 CCCCOC(=O)CSc1cccnc1Br 62a_100000211628_100010202626 [0,1,0,0,0,0|2,0,1]=4 3318 B16R1.1696 CCCCOC(=O)CSc1cccnc1Br 62a_100010202626_100000211628 [0,1,0,0,0,0|2,0,1]=4 3319 B16R1.1696 CCCCOC(=O)CSc1cccnc1C 62a_100000211628_100000751574 [0,1,0,0,0,0|2,0,1]=4 3320 B16R1.1696 CCCCOC(=O)CSc1cccnc1C 62a_100000751574_100000211628 [0,1,0,0,0,0|2,0,1]=4 3321 B16R1.1696 CCCCOC(=O)CSc1cccnc1Cl 62a_100000036424_100000211628 [0,1,0,0,0,0|2,0,1]=4 3322 B16R1.1696 CCCCOC(=O)CSc1cccnc1Cl 62a_100000211628_100000036424 [0,1,0,0,0,0|2,0,1]=4 3323 B16R1.1696 CCCCOC(=O)CSc1cccnc1F 62a_100000211628_100009816115 [0,1,0,0,0,0|2,0,1]=4 3324 B16R1.1696 CCCCOC(=O)CSc1cccnc1F 62a_100009816115_100000211628 [0,1,0,0,0,0|2,0,1]=4 3325 B16R1.1696 CCCCOC(=O)CSc1cccnc1N 62a_100000045569_100000211628 [0,1,0,0,0,0|2,0,1]=4 3326 B16R1.1696 CCCCOC(=O)CSc1cccnc1N 62a_100000211628_100000045569 [0,1,0,0,0,0|2,0,1]=4 3327 B16R1.1696 CCCCOC(=O)CSc1cccnc1O 62a_100000211628_100000760158 [0,1,0,0,0,0|2,0,1]=4 3328 B16R1.1696 CCCCOC(=O)CSc1cccnc1O 62a_100000760158_100000211628 [0,1,0,0,0,0|2,0,1]=4 3329 B16R1.1696 CCCCOC(=O)CSc1ccncc1Br 62a_100000211628_100000726257 [0,1,0,0,0,0|2,0,1]=4 3330 B16R1.1696 CCCCOC(=O)CSc1ccncc1Br 62a_100000726257_100000211628 [0,1,0,0,0,0|2,0,1]=4 3331 B16R1.1696 CCCCOC(=O)CSc1ccncc1C 62a_100000211628_100000765111 [0,1,0,0,0,0|2,0,1]=4 3332 B16R1.1696 CCCCOC(=O)CSc1ccncc1C 62a_100000765111_100000211628 [0,1,0,0,0,0|2,0,1]=4 3333 B16R1.1696 CCCCOC(=O)CSc1ccncc1Cl 62a_100000211628_100000708259 [0,1,0,0,0,0|2,0,1]=4 3334 B16R1.1696 CCCCOC(=O)CSc1ccncc1Cl 62a_100000708259_100000211628 [0,1,0,0,0,0|2,0,1]=4 3335 B16R1.1696 CCCCOC(=O)CSc1ccncc1F 62a_100000047030_100000211628 [0,1,0,0,0,0|2,0,1]=4 3336 B16R1.1696 CCCCOC(=O)CSc1ccncc1F 62a_100000211628_100000047030 [0,1,0,0,0,0|2,0,1]=4 3337 B16R1.1696 CCCCOC(=O)CSc1ccncc1N 62a_100000211628_100000756074 [0,1,0,0,0,0|2,0,1]=4 3338 B16R1.1696 CCCCOC(=O)CSc1ccncc1N 62a_100000756074_100000211628 [0,1,0,0,0,0|2,0,1]=4 3339 B16R1.1696 CCCCOC(=O)CSc1ccncc1O 62a_100000211628_100009817591 [0,1,0,0,0,0|2,0,1]=4 3340 B16R1.1696 CCCCOC(=O)CSc1ccncc1O 62a_100009817591_100000211628 [0,1,0,0,0,0|2,0,1]=4 3341 B16R1.1696 CCCCOC(=O)CSc1cnccc1Br 62a_100000211628_100010138639 [0,1,0,0,0,0|2,0,1]=4 3342 B16R1.1696 CCCCOC(=O)CSc1cnccc1Br 62a_100010138639_100000211628 [0,1,0,0,0,0|2,0,1]=4 3343 B16R1.1696 CCCCOC(=O)CSc1cnccc1C 62a_100000211628_100000761580 [0,1,0,0,0,0|2,0,1]=4 3344 B16R1.1696 CCCCOC(=O)CSc1cnccc1C 62a_100000761580_100000211628 [0,1,0,0,0,0|2,0,1]=4 3345 B16R1.1696 CCCCOC(=O)CSc1cnccc1Cl 62a_100000211628_100009995489 [0,1,0,0,0,0|2,0,1]=4 3346 B16R1.1696 CCCCOC(=O)CSc1cnccc1Cl 62a_100009995489_100000211628 [0,1,0,0,0,0|2,0,1]=4 3347 B16R1.1696 CCCCOC(=O)CSc1cnccc1F 62a_100000211628_100009820683 [0,1,0,0,0,0|2,0,1]=4 3348 B16R1.1696 CCCCOC(=O)CSc1cnccc1F 62a_100009820683_100000211628 [0,1,0,0,0,0|2,0,1]=4 3349 B16R1.1696 CCCCOC(=O)CSc1cnccc1N 62a_100000047001_100000211628 [0,1,0,0,0,0|2,0,1]=4 3350 B16R1.1696 CCCCOC(=O)CSc1cnccc1N 62a_100000211628_100000047001 [0,1,0,0,0,0|2,0,1]=4 3351 B16R1.1696 CCCCOC(=O)CSc1ncccc1Br 62a_100000211628_100000696092 [0,1,0,0,0,0|2,0,1]=4 3352 B16R1.1696 CCCCOC(=O)CSc1ncccc1Br 62a_100000696092_100000211628 [0,1,0,0,0,0|2,0,1]=4 3353 B16R1.1696 CCCCOC(=O)CSc1ncccc1C 62a_100000211628_100000751373 [0,1,0,0,0,0|2,0,1]=4 3354 B16R1.1696 CCCCOC(=O)CSc1ncccc1C 62a_100000751373_100000211628 [0,1,0,0,0,0|2,0,1]=4 3355 B16R1.1696 CCCCOC(=O)CSc1ncccc1Cl 62a_100000211628_100011356963 [0,1,0,0,0,0|2,0,1]=4 3356 B16R1.1696 CCCCOC(=O)CSc1ncccc1Cl 62a_100011356963_100000211628 [0,1,0,0,0,0|2,0,1]=4 3357 B16R1.1696 CCCCOC(=O)CSc1ncccc1F 62a_100000211628_100000685392 [0,1,0,0,0,0|2,0,1]=4 3358 B16R1.1696 CCCCOC(=O)CSc1ncccc1F 62a_100000685392_100000211628 [0,1,0,0,0,0|2,0,1]=4 3359 B16R1.1696 CCCCOC(=O)CSc1ncccc1N 62a_100000211628_100000688686 [0,1,0,0,0,0|2,0,1]=4 3360 B16R1.1696 CCCCOC(=O)CSc1ncccc1N 62a_100000688686_100000211628 [0,1,0,0,0,0|2,0,1]=4 3361 B16R1.1696 CCCCOC(=O)CSc1ncccc1O 62a_100000034122_100000211628 [0,1,0,0,0,0|2,0,1]=4 3362 B16R1.1696 CCCCOC(=O)CSc1ncccc1O 62a_100000211628_100000034122 [0,1,0,0,0,0|2,0,1]=4 3363 B16R1.1696 CCCNN=C(C)C=Cc1ccccc1Cl 4a_100000740057_200016284137 [0,1,0,0,0,0|3,0,0]=4 3364 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1Br 22a_100000740057_100000719032 [0,1,0,0,0,0|2,0,0]=3 3365 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1C 22a_100000740057_100016266485 [0,1,0,0,0,0|2,0,0]=3 3366 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1Cl 22a_100000740057_100000720304 [0,1,0,0,0,0|2,0,0]=3 3367 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1F 22a_100000740057_100016256065 [0,1,0,0,0,0|2,0,0]=3 3368 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1O 22a_100000740057_100016263591 [0,1,0,0,0,0|2,0,0]=3 3369 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215890 [0,1,0,0,0,0|2,0,0]=3 3370 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215890 [0,1,0,0,0,0|2,0,0]=3 3371 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215890 [0,1,0,0,0,0|2,0,0]=3 3372 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215890 [0,1,0,0,0,0|2,0,0]=3 3373 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000757381 [0,1,0,0,0,0|2,0,0]=3 3374 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000757381 [0,1,0,0,0,0|2,0,0]=3 3375 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000757381 [0,1,0,0,0,0|2,0,0]=3 3376 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000757381 [0,1,0,0,0,0|2,0,0]=3 3377 B16R1.1696 COCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000740836 [0,1,0,0,0,0|2,0,0]=3 3378 B16R1.1696 COCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000740836 [0,1,0,0,0,0|2,0,0]=3 3379 B16R1.1696 COCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000740836 [0,1,0,0,0,0|2,0,0]=3 3380 B16R1.1696 COCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000740836 [0,1,0,0,0,0|2,0,0]=3 3381 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Br 1626a_100000209980_100000719032 [0,1,0,0,0,0|2,0,0]=3 3382 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Br 240690a_100000209980_100000719032 [0,1,0,0,0,0|2,0,0]=3 3383 B16R1.1696 COCCNC(=O)C=Cc1ccccc1C 1626a_100000209980_100016266485 [0,1,0,0,0,0|2,0,0]=3 3384 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Cl 1626a_100000209980_100000720304 [0,1,0,0,0,0|2,0,0]=3 3385 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Cl 240690a_100000209980_100000720304 [0,1,0,0,0,0|2,0,0]=3 3386 B16R1.1696 COCCNC(=O)C=Cc1ccccc1F 1626a_100000209980_100016256065 [0,1,0,0,0,0|2,0,0]=3 3387 B16R1.1696 COCCNC(=O)C=Cc1ccccc1F 240690a_100000209980_100016256065 [0,1,0,0,0,0|2,0,0]=3 3388 B16R1.1696 COCCOC(=O)CNc1ccccc1Br 34a_100000210017_200000040189 [0,1,0,0,0,0|2,0,1]=4 3389 B16R1.1696 COCCOC(=O)CNc1ccccc1C 34a_100015192222_200000040189 [0,1,0,0,0,0|2,0,1]=4 3390 B16R1.1696 COCCOC(=O)CNc1ccccc1Cl 34a_100000185783_200000040189 [0,1,0,0,0,0|2,0,1]=4 3391 B16R1.1696 COCCOC(=O)CNc1ccccc1F 34a_100000210422_200000040189 [0,1,0,0,0,0|2,0,1]=4 3392 B16R1.1696 COCCOC(=O)CNc1ccccc1I 34a_100000210053_200000040189 [0,1,0,0,0,0|2,0,1]=4 3393 B16R1.1696 COCCOC(=O)CNc1ccccc1O 34a_100000185747_200000040189 [0,1,0,0,0,0|2,0,1]=4 3394 B16R1.1696 COCCOC(=O)COc1ccccc1Br 34a_100000181306_200000040189 [0,1,0,0,0,0|2,0,1]=4 3395 B16R1.1696 COCCOC(=O)COc1ccccc1Br 7a_100000181306_200000040189 [0,1,0,0,0,0|2,0,1]=4 3396 B16R1.1696 COCCOC(=O)COc1ccccc1C 34a_100000210338_200000040189 [0,1,0,0,0,0|2,0,1]=4 3397 B16R1.1696 COCCOC(=O)COc1ccccc1C 7a_100000210338_200000040189 [0,1,0,0,0,0|2,0,1]=4 3398 B16R1.1696 COCCOC(=O)COc1ccccc1Cl 34a_100000210172_200000040189 [0,1,0,0,0,0|2,0,1]=4 3399 B16R1.1696 COCCOC(=O)COc1ccccc1Cl 7a_100000210172_200000040189 [0,1,0,0,0,0|2,0,1]=4 3400 B16R1.1696 COCCOC(=O)COc1ccccc1F 34a_100000210171_200000040189 [0,1,0,0,0,0|2,0,1]=4 3401 B16R1.1696 COCCOC(=O)COc1ccccc1F 7a_100000210171_200000040189 [0,1,0,0,0,0|2,0,1]=4 3402 B16R1.1696 COCCOC(=O)COc1ccccc1I 34a_100000739446_200000040189 [0,1,0,0,0,0|2,0,1]=4 3403 B16R1.1696 COCCOC(=O)COc1ccccc1I 7a_100000739446_200000040189 [0,1,0,0,0,0|2,0,1]=4 3404 B16R1.1696 COCCOC(=O)COc1ccccc1N 34a_100000185747_200000040189 [0,1,0,0,0,0|2,0,1]=4 3405 B16R1.1696 COCCOC(=O)COc1ccccc1N 7a_100000185747_200000040189 [0,1,0,0,0,0|2,0,1]=4 3406 B16R1.1696 COCCOC(=O)CSc1ccccc1Br 62a_100000695589_200000040189 [0,1,0,0,0,0|2,0,1]=4 3407 B16R1.1696 COCCOC(=O)CSc1ccccc1Br 62a_200000040189_100000695589 [0,1,0,0,0,0|2,0,1]=4 3408 B16R1.1696 COCCOC(=O)CSc1ccccc1C 62a_100000210755_200000040189 [0,1,0,0,0,0|2,0,1]=4 3409 B16R1.1696 COCCOC(=O)CSc1ccccc1C 62a_200000040189_100000210755 [0,1,0,0,0,0|2,0,1]=4 3410 B16R1.1696 COCCOC(=O)CSc1ccccc1Cl 62a_100000764095_200000040189 [0,1,0,0,0,0|2,0,1]=4 3411 B16R1.1696 COCCOC(=O)CSc1ccccc1Cl 62a_200000040189_100000764095 [0,1,0,0,0,0|2,0,1]=4 3412 B16R1.1696 COCCOC(=O)CSc1ccccc1F 62a_100011215700_200000040189 [0,1,0,0,0,0|2,0,1]=4 3413 B16R1.1696 COCCOC(=O)CSc1ccccc1F 62a_200000040189_100011215700 [0,1,0,0,0,0|2,0,1]=4 3414 B16R1.1696 COCCOC(=O)CSc1ccccc1N 62a_100000210017_200000040189 [0,1,0,0,0,0|2,0,1]=4 3415 B16R1.1696 COCCOC(=O)CSc1ccccc1N 62a_200000040189_100000210017 [0,1,0,0,0,0|2,0,1]=4 3416 B16R1.1696 COCCOC(=O)CSc1ccccc1O 62a_100000739446_200000040189 [0,1,0,0,0,0|2,0,1]=4 3417 B16R1.1696 COCCOC(=O)CSc1ccccc1O 62a_200000040189_100000739446 [0,1,0,0,0,0|2,0,1]=4 3418 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 11a_100020590264_100000719032 [0,1,0,0,0,0|2,0,0]=3 3419 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 1626a_100020590264_100000719032 [0,1,0,0,0,0|2,0,0]=3 3420 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 240690a_100020590264_100000719032 [0,1,0,0,0,0|2,0,0]=3 3421 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1C 1626a_100020590264_100016266485 [0,1,0,0,0,0|2,0,0]=3 3422 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 11a_100020590264_100000720304 [0,1,0,0,0,0|2,0,0]=3 3423 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 1626a_100020590264_100000720304 [0,1,0,0,0,0|2,0,0]=3 3424 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 240690a_100020590264_100000720304 [0,1,0,0,0,0|2,0,0]=3 3425 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 11a_100020590264_100016256065 [0,1,0,0,0,0|2,0,0]=3 3426 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 1626a_100020590264_100016256065 [0,1,0,0,0,0|2,0,0]=3 3427 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 240690a_100020590264_100016256065 [0,1,0,0,0,0|2,0,0]=3 3428 B16R1.1696 Cc1ccccc1C=CC(=O)NCCC#N 1626a_100000720768_100016266485 [0,1,0,0,0,0|2,0,1]=4 3429 B16R1.1696 Cc1ccccc1C=CC(=O)NCCCF 1626a_100015189416_100016266485 [0,1,0,0,0,0|2,0,0]=3 3430 B16R1.1696 Cc1ccccc1C=CC(=O)NNCCO 22a_100000210001_100016266485 [0,1,0,0,0,0|3,0,0]=4 3431 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000211468 [0,1,0,0,0,0|2,0,1]=4 3432 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000211468 [0,1,0,0,0,0|2,0,1]=4 3433 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000211468 [0,1,0,0,0,0|2,0,1]=4 3434 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000211468 [0,1,0,0,0,0|2,0,1]=4 3435 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br 11a_100000720768_100000719032 [0,1,0,0,0,0|2,0,1]=4 3436 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br 1626a_100000720768_100000719032 [0,1,0,0,0,0|2,0,1]=4 3437 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br 240690a_100000720768_100000719032 [0,1,0,0,0,0|2,0,1]=4 3438 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Cl 11a_100000720768_100000720304 [0,1,0,0,0,0|2,0,1]=4 3439 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Cl 1626a_100000720768_100000720304 [0,1,0,0,0,0|2,0,1]=4 3440 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Cl 240690a_100000720768_100000720304 [0,1,0,0,0,0|2,0,1]=4 3441 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1F 11a_100000720768_100016256065 [0,1,0,0,0,0|2,0,1]=4 3442 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1F 1626a_100000720768_100016256065 [0,1,0,0,0,0|2,0,1]=4 3443 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1F 240690a_100000720768_100016256065 [0,1,0,0,0,0|2,0,1]=4 3444 B16R1.1696 O=C(C=Cc1ccccc1Br)CCCCF 1458a_100000719032_100000729493 [0,1,0,0,0,0|2,0,0]=3 3445 B16R1.1696 O=C(C=Cc1ccccc1Br)CCCCO 1458a_100000719032_100000210776 [0,1,0,0,0,0|2,0,0]=3 3446 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 11a_100015189416_100000719032 [0,1,0,0,0,0|2,0,0]=3 3447 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 1626a_100015189416_100000719032 [0,1,0,0,0,0|2,0,0]=3 3448 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 240690a_100015189416_100000719032 [0,1,0,0,0,0|2,0,0]=3 3449 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO 240690a_100000182051_100000719032 [0,1,0,0,0,0|2,0,0]=3 3450 B16R1.1696 O=C(C=Cc1ccccc1Br)NNCCO 22a_100000210001_100000719032 [0,1,0,0,0,0|3,0,0]=4 3451 B16R1.1696 O=C(C=Cc1ccccc1Cl)CCCCF 1458a_100000720304_100000729493 [0,1,0,0,0,0|2,0,0]=3 3452 B16R1.1696 O=C(C=Cc1ccccc1Cl)CCCCO 1458a_100000720304_100000210776 [0,1,0,0,0,0|2,0,0]=3 3453 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 11a_100015189416_100000720304 [0,1,0,0,0,0|2,0,0]=3 3454 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 1626a_100015189416_100000720304 [0,1,0,0,0,0|2,0,0]=3 3455 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 240690a_100015189416_100000720304 [0,1,0,0,0,0|2,0,0]=3 3456 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCO 240690a_100000182051_100000720304 [0,1,0,0,0,0|2,0,0]=3 3457 B16R1.1696 O=C(C=Cc1ccccc1Cl)NNCCO 22a_100000210001_100000720304 [0,1,0,0,0,0|3,0,0]=4 3458 B16R1.1696 O=C(C=Cc1ccccc1F)CCCCF 1458a_100016256065_100000729493 [0,1,0,0,0,0|2,0,0]=3 3459 B16R1.1696 O=C(C=Cc1ccccc1F)CCCCO 1458a_100016256065_100000210776 [0,1,0,0,0,0|2,0,0]=3 3460 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 11a_100015189416_100016256065 [0,1,0,0,0,0|2,0,0]=3 3461 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 1626a_100015189416_100016256065 [0,1,0,0,0,0|2,0,0]=3 3462 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 240690a_100015189416_100016256065 [0,1,0,0,0,0|2,0,0]=3 3463 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCO 240690a_100000182051_100016256065 [0,1,0,0,0,0|2,0,0]=3 3464 B16R1.1696 O=C(C=Cc1ccccc1F)NNCCO 22a_100000210001_100016256065 [0,1,0,0,0,0|3,0,0]=4 3465 B16R1.1696 O=C(C=Cc1ccccc1O)CCCCF 1458a_100016263591_100000729493 [0,1,0,0,0,0|2,0,0]=3 3466 B16R1.1696 O=C(C=Cc1ccccc1O)CCCCO 1458a_100016263591_100000210776 [0,1,0,0,0,0|2,0,0]=3 3467 B16R1.1696 O=C(C=Cc1ccccc1O)NNCCO 22a_100000210001_100016263591 [0,1,0,0,0,0|3,0,0]=4 3468 B16R1.20527 CCCCNS(=O)(=O)C=Cc1ccccc1 40a_100000102301_100011098038 [0,1,0,0,0,0|2,0,0]=3 3469 B16R1.20527 CCCNNS(=O)(=O)C=Cc1ccccc1 40a_100000740057_100011098038 [0,1,0,0,0,0|3,0,0]=4 3470 B16R1.20527 COCCNS(=O)(=O)C=Cc1ccccc1 40a_100000209980_100011098038 [0,1,0,0,0,0|3,0,0]=4 3471 B16R1.20527 CSCCNS(=O)(=O)C=Cc1ccccc1 40a_100020590264_100011098038 [0,1,0,0,0,0|3,0,0]=4 3472 B16R1.20527 O=S(=O)(C=Cc1ccccc1)NCCCF 40a_100015189416_100011098038 [0,1,0,0,0,0|3,0,0]=4 3473 B16R1.20527 O=S(=O)(C=Cc1ccccc1)NCCCO 40a_100000182051_100011098038 [0,1,0,0,0,0|3,0,0]=4 3474 B14R0.529 C=CCNC(=O)C=CC(=O)OCCCC 1626a_100020586998_100015195251 [0,0,1,0,0,0|2,0,1]=4 3475 B14R0.529 C=CCNC(=O)C=CC(=O)OCCCC 240690a_100020586998_100015195251 [0,0,1,0,0,0|2,0,1]=4 3476 B16R2.69 O=C1CCCCCC1Oc2ccccc2 7a_100000210340_100000243696 [0,0,0,1,0,0|2,0,1]=4 3477 B16R2.69 O=C1CCCCCC1Sc2ccccc2 62a_100000243696_100000041952 [0,0,0,1,0,0|2,0,1]=4 3478 B16R2.69 O=C1CCCCCC1Sc2ccccc2 62a_100000719477_100000243696 [0,0,0,1,0,0|2,0,1]=4 3479 B16R2.69 O=C1NCCCCC1Oc2ccccc2 7a_100000210340_100000735217 [0,0,0,1,0,0|2,0,1]=4 3480 B16R2.69 O=C1NCCCCC1Sc2ccccc2 62a_100000719477_100000735217 [0,0,0,1,0,0|2,0,1]=4 3481 B16R2.69 O=C1NCCCCC1Sc2ccccc2 62a_100000735217_100000041952 [0,0,0,1,0,0|2,0,1]=4 3482 B16R2.93 CCCn1nc(cc1c2ccccc2)C 271570a_100010069202_100000210277 [0,0,0,1,0,0|3,0,0]=4 3483 B16R2.296 CC1CCN1C(=O)C#Cc2ccccc2 240690a_100000755817_100000736102 [0,0,0,1,0,0|1,0,2]=4 3484 B16R2.296 CC1CCN1C(=O)C=Cc2ccccc2 11a_100000755817_100000210462 [0,0,0,1,0,0|1,0,0]=2 3485 B16R2.296 CC1CCN1C(=O)C=Cc2ccccn2 11a_100000755817_100000740811 [0,0,0,1,0,0|2,0,0]=3 3486 B16R2.296 CC1CCN1C(=O)C=Cc2ccccn2 240690a_100000755817_100000740811 [0,0,0,1,0,0|2,0,0]=3 3487 B16R2.296 CC1CCN1C(=O)C=Cc2cccnc2 11a_100000755817_100000735890 [0,0,0,1,0,0|2,0,0]=3 3488 B16R2.296 CC1CCN1C(=O)C=Cc2cccnc2 240690a_100000755817_100000735890 [0,0,0,1,0,0|2,0,0]=3 3489 B16R2.296 CC1CCN1C(=O)C=Cc2ccncc2 240690a_100000755817_100000682801 [0,0,0,1,0,0|2,0,0]=3 3490 B16R2.296 CC1CCN1C(=O)CCc2ccccc2 11a_100000755817_100000185753 [0,0,0,1,0,0|1,0,2]=4 3491 B16R2.296 CC1CCN1C(=O)CCc2ccccc2 240690a_100000755817_100000185753 [0,0,0,1,0,0|1,0,2]=4 3492 B16R2.296 CC1CCN1C(=O)CCc2ccccc2 527a_100000755817_100000185753 [0,0,0,1,0,0|1,0,2]=4 3493 B16R2.296 CC1CCN1C(=O)COc2ccccc2 11a_100000755817_100000186222 [0,0,0,1,0,0|2,0,1]=4 3494 B16R2.296 CC1CCN1C(=O)COc2ccccc2 240690a_100000755817_100000186222 [0,0,0,1,0,0|2,0,1]=4 3495 B16R2.296 CC1CCN1C(=O)COc2ccccc2 527a_100000755817_100000186222 [0,0,0,1,0,0|2,0,1]=4 3496 B16R2.296 CC1CCN1C(=O)CSc2ccccc2 11a_100000755817_100000211596 [0,0,0,1,0,0|2,0,1]=4 3497 B16R2.296 CC1CCN1C(=O)CSc2ccccc2 240690a_100000755817_100000211596 [0,0,0,1,0,0|2,0,1]=4 3498 B16R2.296 CC1CCN1C(=O)CSc2ccccc2 527a_100000755817_100000211596 [0,0,0,1,0,0|2,0,1]=4 3499 B16R2.296 CC1CCN1C(=O)NCc2ccccc2 2708a_100015324214_100000755817 [0,0,0,1,0,0|2,0,1]=4 3500 B16R2.296 CC1CCN1C(=O)NCc2ccccc2 273464a_100015324214_100000755817 [0,0,0,1,0,0|2,0,1]=4 3501 B16R2.296 O=C(C=Cc1ccccc1)C2CCC2=O 1458a_100000210462_100009892977 [0,0,0,1,0,0|2,0,1]=4 3502 B16R2.1443 CCC1CC1C(=O)CCc2ccccc2 1458a_200011661523_100000765856 [0,0,0,1,0,0|1,0,2]=4 3503 B16R2.1443 CCC1CC1C(=O)NCc2ccccc2 11a_100015324214_200011661523 [0,0,0,1,0,0|2,0,1]=4 3504 B16R2.1443 CCC1CC1C(=O)NCc2ccccc2 1626a_100015324214_200011661523 [0,0,0,1,0,0|2,0,1]=4 3505 B16R2.1443 CCC1CC1C(=O)NCc2ccccc2 240690a_100015324214_200011661523 [0,0,0,1,0,0|2,0,1]=4 3506 B16R2.1443 CCC1CC1C(=O)NCc2ccccc2 527a_100015324214_200011661523 [0,0,0,1,0,0|2,0,1]=4 3507 B16R2.1443 CCC1CC1C(=O)NNc2ccccc2 22a_100015195140_200011661523 [0,0,0,1,0,0|3,0,0]=4 3508 B16R2.2238 O=C(C#Cc1ccccc1)C2CCCC2 1458a_100000736102_100000179811 [0,0,0,1,0,0|1,0,2]=4 3509 B16R2.2238 O=C(C#Cc1ccccc1)N2CCCC2 240690a_100000188435_100000736102 [0,0,0,1,0,0|1,0,2]=4 3510 B16R2.2238 O=C(C=Cc1ccccc1)C2CCCC2 1458a_100000210462_100000179811 [0,0,0,1,0,0|1,0,0]=2 3511 B16R2.2238 O=C(C=Cc1ccccc1)C2CCOC2 1458a_100000210462_100000690089 [0,0,0,1,0,0|2,0,0]=3 3512 B16R2.2238 O=C(C=Cc1ccccc1)N2CC=CC2 1626a_100015195280_100000210462 [0,0,0,1,0,0|1,0,2]=4 3513 B16R2.2238 O=C(C=Cc1ccccc1)N2CCSC2 11a_100011215254_100000210462 [0,0,0,1,0,0|2,0,0]=3 3514 B16R2.2238 O=C(C=Cc1ccccn1)C2CCCC2 1458a_100000740811_100000179811 [0,0,0,1,0,0|2,0,0]=3 3515 B16R2.2238 O=C(C=Cc1ccccn1)C2CCOC2 1458a_100000740811_100000690089 [0,0,0,1,0,0|3,0,0]=4 3516 B16R2.2238 O=C(C=Cc1ccccn1)N2CCCC2 240690a_100000188435_100000740811 [0,0,0,1,0,0|2,0,0]=3 3517 B16R2.2238 O=C(C=Cc1ccccn1)N2CCSC2 11a_100011215254_100000740811 [0,0,0,1,0,0|3,0,0]=4 3518 B16R2.2238 O=C(C=Cc1ccccn1)N2CCSC2 240690a_100011215254_100000740811 [0,0,0,1,0,0|3,0,0]=4 3519 B16R2.2238 O=C(C=Cc1cccnc1)C2CCCC2 1458a_100000735890_100000179811 [0,0,0,1,0,0|2,0,0]=3 3520 B16R2.2238 O=C(C=Cc1cccnc1)C2CCOC2 1458a_100000735890_100000690089 [0,0,0,1,0,0|3,0,0]=4 3521 B16R2.2238 O=C(C=Cc1cccnc1)N2CCCC2 240690a_100000188435_100000735890 [0,0,0,1,0,0|2,0,0]=3 3522 B16R2.2238 O=C(C=Cc1cccnc1)N2CCSC2 11a_100011215254_100000735890 [0,0,0,1,0,0|3,0,0]=4 3523 B16R2.2238 O=C(C=Cc1cccnc1)N2CCSC2 240690a_100011215254_100000735890 [0,0,0,1,0,0|3,0,0]=4 3524 B16R2.2238 O=C(C=Cc1ccncc1)C2CCCC2 1458a_100000682801_100000179811 [0,0,0,1,0,0|2,0,0]=3 3525 B16R2.2238 O=C(C=Cc1ccncc1)C2CCOC2 1458a_100000682801_100000690089 [0,0,0,1,0,0|3,0,0]=4 3526 B16R2.2238 O=C(C=Cc1ccncc1)N2CCCC2 240690a_100000188435_100000682801 [0,0,0,1,0,0|2,0,0]=3 3527 B16R2.2238 O=C(C=Cc1ccncc1)N2CCSC2 240690a_100011215254_100000682801 [0,0,0,1,0,0|3,0,0]=4 3528 B16R2.2238 O=C(CCc1ccccc1)C2CCCC2 1458a_100000185753_100000179811 [0,0,0,1,0,0|1,0,2]=4 3529 B16R2.2238 O=C(CCc1ccccc1)C2CCCC2 1458a_100000210718_100000765856 [0,0,0,1,0,0|1,0,2]=4 3530 B16R2.2238 O=C(CCc1ccccc1)N2CCCC2 240690a_100000188435_100000185753 [0,0,0,1,0,0|1,0,2]=4 3531 B16R2.2238 O=C(CCc1ccccc1)N2CCCC2 527a_100000188435_100000185753 [0,0,0,1,0,0|1,0,2]=4 3532 B16R2.2238 O=C(CNc1ccccc1)N2CCCC2 34a_100000106764_100000183516 [0,0,0,1,0,0|2,0,1]=4 3533 B16R2.2238 O=C(COc1ccccc1)C2CCCC2 1458a_100000186222_100000179811 [0,0,0,1,0,0|2,0,1]=4 3534 B16R2.2238 O=C(COc1ccccc1)N2CCCC2 240690a_100000188435_100000186222 [0,0,0,1,0,0|2,0,1]=4 3535 B16R2.2238 O=C(COc1ccccc1)N2CCCC2 34a_100000210340_100000183516 [0,0,0,1,0,0|2,0,1]=4 3536 B16R2.2238 O=C(COc1ccccc1)N2CCCC2 527a_100000188435_100000186222 [0,0,0,1,0,0|2,0,1]=4 3537 B16R2.2238 O=C(COc1ccccc1)N2CCCC2 7a_100000210340_100000183516 [0,0,0,1,0,0|2,0,1]=4 3538 B16R2.2238 O=C(CSc1ccccc1)C2CCCC2 1458a_100000211596_100000179811 [0,0,0,1,0,0|2,0,1]=4 3539 B16R2.2238 O=C(CSc1ccccc1)N2CCCC2 240690a_100000188435_100000211596 [0,0,0,1,0,0|2,0,1]=4 3540 B16R2.2238 O=C(CSc1ccccc1)N2CCCC2 527a_100000188435_100000211596 [0,0,0,1,0,0|2,0,1]=4 3541 B16R2.2238 O=C(CSc1ccccc1)N2CCCC2 62a_100000183516_100000041952 [0,0,0,1,0,0|2,0,1]=4 3542 B16R2.2238 O=C(CSc1ccccc1)N2CCCC2 62a_100000719477_100000183516 [0,0,0,1,0,0|2,0,1]=4 3543 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 11a_100015324214_100000210718 [0,0,0,1,0,0|2,0,1]=4 3544 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 1626a_100015324214_100000210718 [0,0,0,1,0,0|2,0,1]=4 3545 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 240690a_100015324214_100000210718 [0,0,0,1,0,0|2,0,1]=4 3546 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 527a_100015324214_100000210718 [0,0,0,1,0,0|2,0,1]=4 3547 B16R2.2238 O=C(NCc1ccccc1)N2CCCC2 2708a_100015324214_100000188435 [0,0,0,1,0,0|2,0,1]=4 3548 B16R2.2238 O=C(NCc1ccccc1)N2CCCC2 273464a_100015324214_100000188435 [0,0,0,1,0,0|2,0,1]=4 3549 B16R2.2238 O=C(NNc1ccccc1)C2CCCC2 22a_100015195140_100000210718 [0,0,0,1,0,0|3,0,0]=4 3550 B16R2.2441 C#CCCOc1ccc2ccccc2c1 34a_100000185828_100000688953 [0,0,0,1,0,0|1,0,2]=4 3551 B16R2.2441 C#CCCOc1ccc2ccccc2c1 7a_100000185828_100000688953 [0,0,0,1,0,0|1,0,2]=4 3552 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 34a_100000185828_100102629194 [0,0,0,1,0,0|1,0,2]=4 3553 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 7a_100000185828_100102629194 [0,0,0,1,0,0|1,0,2]=4 3554 B16R2.2441 C=CCCOc1ccc2ccccc2c1 34a_100000185828_100000754431 [0,0,0,1,0,0|1,0,2]=4 3555 B16R2.2441 C=CCCOc1ccc2ccccc2c1 7a_100000185828_100000754431 [0,0,0,1,0,0|1,0,2]=4 3556 B16R2.2441 CC#CCOc1ccc2ccccc2c1 34a_100000185828_100000748600 [0,0,0,1,0,0|1,0,2]=4 3557 B16R2.2441 CC#CCOc1ccc2ccccc2c1 7a_100000185828_100000748600 [0,0,0,1,0,0|1,0,2]=4 3558 B16R2.2441 CC=CCOc1ccc2ccccc2c1 34a_100000185828_100000070051 [0,0,0,1,0,0|1,0,2]=4 3559 B16R2.2441 CC=CCOc1ccc2ccccc2c1 7a_100000185828_100000070051 [0,0,0,1,0,0|1,0,2]=4 3560 B16R2.2441 CCCC=Cc1ccc2ccccc2c1 271570a_100016258520_100000233703 [0,0,0,1,0,0|2,0,1]=4 3561 B16R2.2441 CCCC=Cc1ccc2ccccc2n1 271570a_100016258520_100011291633 [0,0,0,1,0,0|2,0,1]=4 3562 B16R2.2441 CCCCNc1ccc2ccccc2c1 34a_100000211940_100000210210 [0,0,0,1,0,0|2,0,0]=3 3563 B16R2.2441 CCCCNc1ccc2ccccc2c1 7a_100000211940_100000210211 [0,0,0,1,0,0|2,0,0]=3 3564 B16R2.2441 CCCCNc1ccc2ccccc2n1 27a_100000102301_100011291633 [0,0,0,1,0,0|2,0,0]=3 3565 B16R2.2441 CCCCNc1ccc2cccnc2c1 34a_100102887122_100000210210 [0,0,0,1,0,0|3,0,0]=4 3566 B16R2.2441 CCCCNc1ccc2cccnc2n1 27a_100000102301_100000075685 [0,0,0,1,0,0|3,0,0]=4 3567 B16R2.2441 CCCCNc1ccc2ccncc2n1 27a_100000102301_100000020162 [0,0,0,1,0,0|3,0,0]=4 3568 B16R2.2441 CCCCNc1ccc2cnccc2c1 34a_100000039641_100000210210 [0,0,0,1,0,0|3,0,0]=4 3569 B16R2.2441 CCCCNc1ccc2ncccc2c1 34a_100011198106_100000210210 [0,0,0,1,0,0|3,0,0]=4 3570 B16R2.2441 CCCCNc1ccc2ncccc2n1 27a_100000102301_100000073381 [0,0,0,1,0,0|3,0,0]=4 3571 B16R2.2441 CCCCNc1cnc2ccccc2n1 27a_100000102301_100000756483 [0,0,0,1,0,0|3,0,0]=4 3572 B16R2.2441 CCCCNc1ncc2ccccc2n1 27a_100000102301_100000097389 [0,0,0,1,0,0|3,0,0]=4 3573 B16R2.2441 CCCCOc1ccc2ccccc2c1 34a_100000185828_100000210210 [0,0,0,1,0,0|1,0,0]=2 3574 B16R2.2441 CCCCOc1ccc2ccccc2c1 7a_100000185828_100000210211 [0,0,0,1,0,0|1,0,0]=2 3575 B16R2.2441 CCCCOc1ccc2cccnc2c1 34a_100011216045_100000210210 [0,0,0,1,0,0|2,0,0]=3 3576 B16R2.2441 CCCCOc1ccc2ccncc2c1 7a_100000752006_100000210211 [0,0,0,1,0,0|2,0,0]=3 3577 B16R2.2441 CCCCOc1ccc2cnccc2c1 34a_100000046372_100000210210 [0,0,0,1,0,0|2,0,0]=3 3578 B16R2.2441 CCCCOc1ccc2cnccc2c1 7a_100000046372_100000210211 [0,0,0,1,0,0|2,0,0]=3 3579 B16R2.2441 CCCCOc1ccc2ncccc2c1 34a_100011215586_100000210210 [0,0,0,1,0,0|2,0,0]=3 3580 B16R2.2441 CCCCOc1ccc2ncccc2c1 7a_100011215586_100000210211 [0,0,0,1,0,0|2,0,0]=3 3581 B16R2.2441 CCCCOc1ccc2nccnc2c1 34a_100000694412_100000210210 [0,0,0,1,0,0|3,0,0]=4 3582 B16R2.2441 CCCCOc1cnc2ccccc2c1 34a_100011934006_100000210210 [0,0,0,1,0,0|2,0,0]=3 3583 B16R2.2441 CCCCOc1cnc2ccccc2c1 7a_100011934006_100000210211 [0,0,0,1,0,0|2,0,0]=3 3584 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100000210211_100000047361 [0,0,0,1,0,0|2,1,0]=4 3585 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100009816522_100000210210 [0,0,0,1,0,0|2,1,0]=4 3586 B16R2.2441 CCCCSc1ccc2ccccc2c1 62a_100000210211_100000233703 [0,0,0,1,0,0|1,1,0]=3 3587 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100000210211_100011291633 [0,0,0,1,0,0|1,1,0]=3 3588 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100011291633_100000210210 [0,0,0,1,0,0|1,1,0]=3 3589 B16R2.2441 CCCCSc1ccc2cccnc2c1 62a_100000210211_100009816655 [0,0,0,1,0,0|2,1,0]=4 3590 B16R2.2441 CCCCSc1ccc2cccnc2n1 62a_100000075685_100000210210 [0,0,0,1,0,0|2,1,0]=4 3591 B16R2.2441 CCCCSc1ccc2cccnc2n1 62a_100000210211_100000075685 [0,0,0,1,0,0|2,1,0]=4 3592 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000210211_100000686496 [0,0,0,1,0,0|2,1,0]=4 3593 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000686496_100000210210 [0,0,0,1,0,0|2,1,0]=4 3594 B16R2.2441 CCCCSc1ccc2ccncc2n1 62a_100000210211_100000020162 [0,0,0,1,0,0|2,1,0]=4 3595 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100000210211_100009816743 [0,0,0,1,0,0|2,1,0]=4 3596 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100009816743_100000210210 [0,0,0,1,0,0|2,1,0]=4 3597 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100000210211_100011215947 [0,0,0,1,0,0|2,1,0]=4 3598 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100011215947_100000210210 [0,0,0,1,0,0|2,1,0]=4 3599 B16R2.2441 CCCCSc1ccc2ncccc2n1 62a_100000210211_100000073381 [0,0,0,1,0,0|2,1,0]=4 3600 B16R2.2441 CCCCSc1cnc2ccccc2c1 62a_100000210211_100000737414 [0,0,0,1,0,0|2,1,0]=4 3601 B16R2.2441 CCCCSc1cnc2ccccc2n1 62a_100000210211_100000756483 [0,0,0,1,0,0|2,1,0]=4 3602 B16R2.2441 CCCCSc1cnc2ccccc2n1 62a_100000756483_100000210210 [0,0,0,1,0,0|2,1,0]=4 3603 B16R2.2441 CCCCSc1ncc2ccccc2n1 62a_100000210211_100000097389 [0,0,0,1,0,0|2,1,0]=4 3604 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [0,0,0,1,0,0|3,0,0]=4 3605 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [0,0,0,1,0,0|3,0,0]=4 3606 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [0,0,0,1,0,0|3,0,0]=4 3607 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [0,0,0,1,0,0|3,0,0]=4 3608 B16R2.2441 CCCNCc1ccc2ccccc2n1 207a_100020643023_100000759686 [0,0,0,1,0,0|3,0,0]=4 3609 B16R2.2441 CCCNCc1ccc2ccccc2n1 270004a_100020643023_100000759686 [0,0,0,1,0,0|3,0,0]=4 3610 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100000210258_100011216711 [0,0,0,1,0,0|3,0,0]=4 3611 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100011215330_100000210303 [0,0,0,1,0,0|3,0,0]=4 3612 B16R2.2441 CCCOCc1ccc2ccccc2c1 7a_100011215330_100000210303 [0,0,0,1,0,0|3,0,0]=4 3613 B16R2.2441 CCCOCc1ccc2ccccc2n1 34a_100000210258_100000737579 [0,0,0,1,0,0|3,0,0]=4 3614 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100000210303_100011216711 [0,0,0,1,0,0|3,0,0]=4 3615 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100011216711_100000210303 [0,0,0,1,0,0|3,0,0]=4 3616 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000210303_100000737579 [0,0,0,1,0,0|3,0,0]=4 3617 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000737579_100000210303 [0,0,0,1,0,0|3,0,0]=4 3618 B16R2.2441 CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210202 [0,0,0,1,0,0|3,0,0]=4 3619 B16R2.2441 CCNCCc1ccc2ccccc2c1 34a_100000746582_100000210202 [0,0,0,1,0,0|3,0,0]=4 3620 B16R2.2441 CCOCCc1ccc2ccccc2c1 34a_100000755654_100000210202 [0,0,0,1,0,0|3,0,0]=4 3621 B16R2.2441 CCOCCc1ccc2ccccc2c1 7a_100000755654_100000210202 [0,0,0,1,0,0|3,0,0]=4 3622 B16R2.2441 CCOCCc1ccc2ccccc2n1 34a_100011996444_100000210202 [0,0,0,1,0,0|3,0,0]=4 3623 B16R2.2441 CCOCSc1ccc2ccccc2c1 62a_100000739092_100000233703 [0,0,0,1,0,0|2,1,0]=4 3624 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100000739092_100011291633 [0,0,0,1,0,0|2,1,0]=4 3625 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100011291633_100000739092 [0,0,0,1,0,0|2,1,0]=4 3626 B16R2.2441 COCCNc1ccc2ccccc2c1 34a_100000211940_100011201679 [0,0,0,1,0,0|3,0,0]=4 3627 B16R2.2441 COCCNc1ccc2ccccc2c1 7a_100000211940_100000233755 [0,0,0,1,0,0|3,0,0]=4 3628 B16R2.2441 COCCNc1ccc2ccccc2n1 27a_100000209980_100011291633 [0,0,0,1,0,0|3,0,0]=4 3629 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_100000185828_100011201679 [0,0,0,1,0,0|2,0,0]=3 3630 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_200011219602_200000210301 [0,0,0,1,0,0|2,0,0]=3 3631 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_100000185828_100000233755 [0,0,0,1,0,0|2,0,0]=3 3632 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_200011219602_200000210301 [0,0,0,1,0,0|2,0,0]=3 3633 B16R2.2441 COCCOc1ccc2cccnc2c1 34a_100011216045_100011201679 [0,0,0,1,0,0|3,0,0]=4 3634 B16R2.2441 COCCOc1ccc2ccncc2c1 7a_100000752006_100000233755 [0,0,0,1,0,0|3,0,0]=4 3635 B16R2.2441 COCCOc1ccc2cnccc2c1 34a_100000046372_100011201679 [0,0,0,1,0,0|3,0,0]=4 3636 B16R2.2441 COCCOc1ccc2cnccc2c1 7a_100000046372_100000233755 [0,0,0,1,0,0|3,0,0]=4 3637 B16R2.2441 COCCOc1ccc2ncccc2c1 34a_100011215586_100011201679 [0,0,0,1,0,0|3,0,0]=4 3638 B16R2.2441 COCCOc1ccc2ncccc2c1 7a_100011215586_100000233755 [0,0,0,1,0,0|3,0,0]=4 3639 B16R2.2441 COCCOc1cnc2ccccc2c1 34a_100011934006_100011201679 [0,0,0,1,0,0|3,0,0]=4 3640 B16R2.2441 COCCOc1cnc2ccccc2c1 7a_100011934006_100000233755 [0,0,0,1,0,0|3,0,0]=4 3641 B16R2.2441 COCCSc1ccc2ccccc2c1 62a_100000233755_100000233703 [0,0,0,1,0,0|2,1,0]=4 3642 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100000233755_100011291633 [0,0,0,1,0,0|2,1,0]=4 3643 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100011291633_100000233755 [0,0,0,1,0,0|2,1,0]=4 3644 B16R2.2441 CSCCNc1ccc2ccccc2c1 34a_100000211940_100000212216 [0,0,0,1,0,0|3,0,0]=4 3645 B16R2.2441 CSCCNc1ccc2ccccc2c1 7a_100000211940_100000212216 [0,0,0,1,0,0|3,0,0]=4 3646 B16R2.2441 CSCCNc1ccc2ccccc2n1 27a_100020590264_100011291633 [0,0,0,1,0,0|3,0,0]=4 3647 B16R2.2441 CSCCOc1ccc2ccccc2c1 34a_100000185828_100000212216 [0,0,0,1,0,0|2,0,0]=3 3648 B16R2.2441 CSCCOc1ccc2ccccc2c1 7a_100000185828_100000212216 [0,0,0,1,0,0|2,0,0]=3 3649 B16R2.2441 CSCCOc1ccc2cccnc2c1 34a_100011216045_100000212216 [0,0,0,1,0,0|3,0,0]=4 3650 B16R2.2441 CSCCOc1ccc2ccncc2c1 7a_100000752006_100000212216 [0,0,0,1,0,0|3,0,0]=4 3651 B16R2.2441 CSCCOc1ccc2cnccc2c1 34a_100000046372_100000212216 [0,0,0,1,0,0|3,0,0]=4 3652 B16R2.2441 CSCCOc1ccc2cnccc2c1 7a_100000046372_100000212216 [0,0,0,1,0,0|3,0,0]=4 3653 B16R2.2441 CSCCOc1ccc2ncccc2c1 34a_100011215586_100000212216 [0,0,0,1,0,0|3,0,0]=4 3654 B16R2.2441 CSCCOc1ccc2ncccc2c1 7a_100011215586_100000212216 [0,0,0,1,0,0|3,0,0]=4 3655 B16R2.2441 CSCCOc1cnc2ccccc2c1 34a_100011934006_100000212216 [0,0,0,1,0,0|3,0,0]=4 3656 B16R2.2441 CSCCOc1cnc2ccccc2c1 7a_100011934006_100000212216 [0,0,0,1,0,0|3,0,0]=4 3657 B16R2.2441 CSCCSc1ccc2ccccc2c1 62a_100000212216_100000233703 [0,0,0,1,0,0|2,1,0]=4 3658 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100000212216_100011291633 [0,0,0,1,0,0|2,1,0]=4 3659 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100011291633_100000751147 [0,0,0,1,0,0|2,1,0]=4 3660 B16R2.2441 FCCCNc1ccc2ccccc2c1 34a_100000211940_100011934791 [0,0,0,1,0,0|3,0,0]=4 3661 B16R2.2441 FCCCNc1ccc2ccccc2c1 7a_100000211940_100011934791 [0,0,0,1,0,0|3,0,0]=4 3662 B16R2.2441 FCCCNc1ccc2ccccc2n1 27a_100015189416_100011291633 [0,0,0,1,0,0|3,0,0]=4 3663 B16R2.2441 FCCCOc1ccc2ccccc2c1 34a_100000185828_100011934791 [0,0,0,1,0,0|2,0,0]=3 3664 B16R2.2441 FCCCOc1ccc2ccccc2c1 7a_100000185828_100011934791 [0,0,0,1,0,0|2,0,0]=3 3665 B16R2.2441 FCCCOc1ccc2cccnc2c1 34a_100011216045_100011934791 [0,0,0,1,0,0|3,0,0]=4 3666 B16R2.2441 FCCCOc1ccc2ccncc2c1 7a_100000752006_100011934791 [0,0,0,1,0,0|3,0,0]=4 3667 B16R2.2441 FCCCOc1ccc2cnccc2c1 34a_100000046372_100011934791 [0,0,0,1,0,0|3,0,0]=4 3668 B16R2.2441 FCCCOc1ccc2cnccc2c1 7a_100000046372_100011934791 [0,0,0,1,0,0|3,0,0]=4 3669 B16R2.2441 FCCCOc1ccc2ncccc2c1 34a_100011215586_100011934791 [0,0,0,1,0,0|3,0,0]=4 3670 B16R2.2441 FCCCOc1ccc2ncccc2c1 7a_100011215586_100011934791 [0,0,0,1,0,0|3,0,0]=4 3671 B16R2.2441 FCCCOc1cnc2ccccc2c1 34a_100011934006_100011934791 [0,0,0,1,0,0|3,0,0]=4 3672 B16R2.2441 FCCCOc1cnc2ccccc2c1 7a_100011934006_100011934791 [0,0,0,1,0,0|3,0,0]=4 3673 B16R2.2441 FCCCSc1ccc2ccccc2c1 62a_100011934791_100000233703 [0,0,0,1,0,0|2,1,0]=4 3674 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011291633_100011934791 [0,0,0,1,0,0|2,1,0]=4 3675 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011934791_100011291633 [0,0,0,1,0,0|2,1,0]=4 3676 B16R2.2441 N#CCCOc1ccc2ccccc2c1 7a_100000185828_100000184422 [0,0,0,1,0,0|2,0,1]=4 3677 B16R2.2441 OCCCNc1ccc2ccccc2c1 34a_100000211940_100000230001 [0,0,0,1,0,0|3,0,0]=4 3678 B16R2.2441 OCCCNc1ccc2ccccc2c1 7a_100000211940_100011215043 [0,0,0,1,0,0|3,0,0]=4 3679 B16R2.2441 OCCCNc1ccc2ccccc2n1 27a_100000182051_100011291633 [0,0,0,1,0,0|3,0,0]=4 3680 B16R2.2441 OCCCOc1ccc2ccccc2c1 34a_100000185828_100000230001 [0,0,0,1,0,0|2,0,0]=3 3681 B16R2.2441 OCCCOc1ccc2ccccc2c1 7a_100000185828_100011215043 [0,0,0,1,0,0|2,0,0]=3 3682 B16R2.2441 OCCCOc1ccc2cccnc2c1 34a_100011216045_100000230001 [0,0,0,1,0,0|3,0,0]=4 3683 B16R2.2441 OCCCOc1ccc2ccncc2c1 7a_100000752006_100011215043 [0,0,0,1,0,0|3,0,0]=4 3684 B16R2.2441 OCCCOc1ccc2cnccc2c1 34a_100000046372_100000230001 [0,0,0,1,0,0|3,0,0]=4 3685 B16R2.2441 OCCCOc1ccc2cnccc2c1 7a_100000046372_100011215043 [0,0,0,1,0,0|3,0,0]=4 3686 B16R2.2441 OCCCOc1ccc2ncccc2c1 34a_100011215586_100000230001 [0,0,0,1,0,0|3,0,0]=4 3687 B16R2.2441 OCCCOc1ccc2ncccc2c1 7a_100011215586_100011215043 [0,0,0,1,0,0|3,0,0]=4 3688 B16R2.2441 OCCCOc1cnc2ccccc2c1 34a_100011934006_100000230001 [0,0,0,1,0,0|3,0,0]=4 3689 B16R2.2441 OCCCOc1cnc2ccccc2c1 7a_100011934006_100011215043 [0,0,0,1,0,0|3,0,0]=4 3690 B16R2.2441 OCCCSc1ccc2ccccc2c1 62a_100011215043_100000233703 [0,0,0,1,0,0|2,1,0]=4 3691 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011215043_100011291633 [0,0,0,1,0,0|2,1,0]=4 3692 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011291633_100011215043 [0,0,0,1,0,0|2,1,0]=4 3693 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 34a_200011219602_200025704644 [0,0,0,1,0,0|2,0,0]=3 3694 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 7a_200011219602_200025704644 [0,0,0,1,0,0|2,0,0]=3 3695 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100000210462 [0,0,0,1,0,0|2,0,0]=3 3696 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000210462 [0,0,0,1,0,0|2,0,0]=3 3697 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000740811 [0,0,0,1,0,0|3,0,0]=4 3698 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@H]2F 11a_100025746932_100000740811 [0,0,0,1,0,0|3,0,0]=4 3699 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000740811 [0,0,0,1,0,0|3,0,0]=4 3700 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000735890 [0,0,0,1,0,0|3,0,0]=4 3701 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@H]2F 11a_100025746932_100000735890 [0,0,0,1,0,0|3,0,0]=4 3702 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000735890 [0,0,0,1,0,0|3,0,0]=4 3703 B16R2.3193 O=C(C=Cc1ccncc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000682801 [0,0,0,1,0,0|3,0,0]=4 3704 B16R2.3193 O=C(C=Cc1ccncc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000682801 [0,0,0,1,0,0|3,0,0]=4 3705 B16R2.30013 CCCCc1c(ccc2c1cccc2)Br 271570a_100020621405_100010090040 [0,0,0,1,0,0|2,0,0]=3 3706 B16R2.30013 CCCCc1c(ccc2c1cccc2)C 271570a_100020621405_100000759710 [0,0,0,1,0,0|2,0,0]=3 3707 B16R2.30013 CCCCc1c(ccc2c1cccc2)N 271570a_100020621405_100000705303 [0,0,0,1,0,0|2,0,0]=3 3708 B16R2.30013 CCCCc1c(ccc2c1cccc2)O 271570a_100020621405_100000183829 [0,0,0,1,0,0|1,0,1]=3 3709 B16R2.30013 CCCCc1c(ccc2c1cccn2)N 271570a_100020621405_200009995563 [0,0,0,1,0,0|3,0,0]=4 3710 B16R2.30013 CCCCc1c(ccc2c1ccnc2)C 271570a_100020621405_100010204589 [0,0,0,1,0,0|3,0,0]=4 3711 B16R2.30013 CCCCc1c(ccc2c1ccnc2)F 271570a_100020621405_100010272212 [0,0,0,1,0,0|3,0,0]=4 3712 B16R2.30013 CCCCc1c(ccc2c1ccnc2)N 271570a_100020621405_100010245214 [0,0,0,1,0,0|3,0,0]=4 3713 B16R2.30013 CCCCc1c(ccc2c1cncc2)F 271570a_100020621405_200015767032 [0,0,0,1,0,0|3,0,0]=4 3714 B16R2.30013 CCCCc1c(ccc2c1cncc2)O 271570a_100020621405_200010115057 [0,0,0,1,0,0|2,0,1]=4 3715 B16R2.30013 CCCCc1c(ccc2c1nccc2)O 271570a_100020621405_100010173343 [0,0,0,1,0,0|2,0,1]=4 3716 B16R2.30013 CCCCc1c(cnc2c1cccc2)Br 271570a_100020621405_200010179490 [0,0,0,1,0,0|3,0,0]=4 3717 B16R2.30013 CCCCc1c(cnc2c1cccc2)C 271570a_100020621405_100000092342 [0,0,0,1,0,0|3,0,0]=4 3718 B16R2.30013 CCCCc1c(cnc2c1cccc2)N 271570a_100020621405_100012243074 [0,0,0,1,0,0|3,0,0]=4 3719 B16R2.30013 CCCCc1c(ncc2c1cccc2)N 271570a_100020621405_100009994184 [0,0,0,1,0,0|3,0,0]=4 3720 B16R2.30013 CCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210303 [0,0,0,1,0,0|3,0,0]=4 3721 B16R2.30013 CCCNc1c(ccc2c1cccc2)C 34a_100000688109_100000210303 [0,0,0,1,0,0|3,0,0]=4 3722 B16R2.30013 CCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210303 [0,0,0,1,0,0|3,0,0]=4 3723 B16R2.30013 CCCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210303 [0,0,0,1,0,0|2,0,1]=4 3724 B16R2.30013 CCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210303 [0,0,0,1,0,0|3,0,0]=4 3725 B16R2.30013 CCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210303 [0,0,0,1,0,0|3,0,0]=4 3726 B16R2.30013 CCCOc1c(ccc2c1cccc2)C 34a_100000039261_100000210303 [0,0,0,1,0,0|3,0,0]=4 3727 B16R2.30013 CCCOc1c(ccc2c1cccc2)C 7a_100000039261_100000210303 [0,0,0,1,0,0|3,0,0]=4 3728 B16R2.30013 CCCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210303 [0,0,0,1,0,0|3,0,0]=4 3729 B16R2.30013 CCCSc1c(ccc2c1cccc2)Br 62a_100000210303_100010090040 [0,0,0,1,0,0|3,0,0]=4 3730 B16R2.30013 CCCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210303 [0,0,0,1,0,0|3,0,0]=4 3731 B16R2.30013 CCCSc1c(ccc2c1cccc2)C 62a_100000210303_100000759710 [0,0,0,1,0,0|3,0,0]=4 3732 B16R2.30013 CCCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210303 [0,0,0,1,0,0|3,0,0]=4 3733 B16R2.30013 CCCSc1c(ccc2c1cccc2)N 62a_100000210303_100000705303 [0,0,0,1,0,0|3,0,0]=4 3734 B16R2.30013 CCCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210303 [0,0,0,1,0,0|3,0,0]=4 3735 B16R2.30013 CCCSc1c(ccc2c1cccc2)O 62a_100000210303_100000183829 [0,0,0,1,0,0|2,0,1]=4 3736 B16R2.30013 CCNCc1c(ccc2c1cccc2)Br 207a_100015525214_100010090029 [0,0,0,1,0,0|3,0,0]=4 3737 B16R2.30013 CCNCc1c(ccc2c1cccc2)Br 270004a_100015525214_100010090029 [0,0,0,1,0,0|3,0,0]=4 3738 B16R2.30013 CCNCc1c(ccc2c1cccc2)C 207a_100015525214_100011361466 [0,0,0,1,0,0|3,0,0]=4 3739 B16R2.30013 CCNCc1c(ccc2c1cccc2)C 2230a_100015525214_100000689653 [0,0,0,1,0,0|3,0,0]=4 3740 B16R2.30013 CCNCc1c(ccc2c1cccc2)C 270004a_100015525214_100011361466 [0,0,0,1,0,0|3,0,0]=4 3741 B16R2.30013 CCOCc1c(ccc2c1cccc2)C 34a_100121572206_100000689653 [0,0,0,1,0,0|3,0,0]=4 3742 B16R2.30013 CCSCc1c(ccc2c1cccc2)C 62a_100000210202_100000689653 [0,0,0,1,0,0|3,0,0]=4 3743 B16R2.30013 CCSCc1c(ccc2c1cccc2)C 62a_100000689653_100000210202 [0,0,0,1,0,0|3,0,0]=4 3744 B16R2.43746 CCCCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210326 [0,0,0,1,0,0|1,0,2]=4 3745 B16R2.43746 CCCCNC(=O)C1Cc2c1cccc2 11a_100000102301_200000238571 [0,0,0,1,0,0|1,0,2]=4 3746 B16R2.43746 CCCCNC(=O)C1Cc2c1cccc2 1626a_100000102301_200000238571 [0,0,0,1,0,0|1,0,2]=4 3747 B16R2.43746 CCCCNC(=O)C1Cc2c1cccc2 240690a_100000102301_200000238571 [0,0,0,1,0,0|1,0,2]=4 3748 B16R2.43746 CCCCNC(=O)C1Cc2c1cccc2 527a_100000102301_200000238571 [0,0,0,1,0,0|1,0,2]=4 3749 B16R2.44148 O=C(C#Cc1ccccc1)CC2CCC2 1458a_100000736102_100000763275 [0,0,0,1,0,0|1,0,2]=4 3750 B16R2.44148 O=C(C#Cc1ccccc1)NC2CCC2 240690a_100000749019_100000736102 [0,0,0,1,0,0|1,0,2]=4 3751 B16R2.44148 O=C(C=Cc1ccccc1)CC2CCC2 1458a_100000210462_100000763275 [0,0,0,1,0,0|1,0,0]=2 3752 B16R2.44148 O=C(C=Cc1ccccc1)CC2CCO2 1458a_100000210462_100000103362 [0,0,0,1,0,0|2,0,0]=3 3753 B16R2.44148 O=C(C=Cc1ccccc1)CC2COC2 1458a_100000210462_100010264016 [0,0,0,1,0,0|2,0,0]=3 3754 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 11a_100000749019_100000210462 [0,0,0,1,0,0|1,0,0]=2 3755 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 1626a_100000749019_100000210462 [0,0,0,1,0,0|1,0,0]=2 3756 B16R2.44148 O=C(C=Cc1ccccc1)NC2COC2 11a_100016991112_100000210462 [0,0,0,1,0,0|2,0,0]=3 3757 B16R2.44148 O=C(C=Cc1ccccc1)NC2COC2 1626a_100016991112_100000210462 [0,0,0,1,0,0|2,0,0]=3 3758 B16R2.44148 O=C(C=Cc1ccccc1)NC2CSC2 11a_100016994217_100000210462 [0,0,0,1,0,0|2,0,0]=3 3759 B16R2.44148 O=C(C=Cc1ccccc1)NC2CSC2 1626a_100016994217_100000210462 [0,0,0,1,0,0|2,0,0]=3 3760 B16R2.44148 O=C(C=Cc1ccccn1)CC2CCC2 1458a_100000740811_100000763275 [0,0,0,1,0,0|2,0,0]=3 3761 B16R2.44148 O=C(C=Cc1ccccn1)CC2CCO2 1458a_100000740811_100000103362 [0,0,0,1,0,0|3,0,0]=4 3762 B16R2.44148 O=C(C=Cc1ccccn1)CC2COC2 1458a_100000740811_100010264016 [0,0,0,1,0,0|3,0,0]=4 3763 B16R2.44148 O=C(C=Cc1ccccn1)NC2CCC2 11a_100000749019_100000740811 [0,0,0,1,0,0|2,0,0]=3 3764 B16R2.44148 O=C(C=Cc1ccccn1)NC2CCC2 240690a_100000749019_100000740811 [0,0,0,1,0,0|2,0,0]=3 3765 B16R2.44148 O=C(C=Cc1ccccn1)NC2COC2 11a_100016991112_100000740811 [0,0,0,1,0,0|3,0,0]=4 3766 B16R2.44148 O=C(C=Cc1ccccn1)NC2COC2 240690a_100016991112_100000740811 [0,0,0,1,0,0|3,0,0]=4 3767 B16R2.44148 O=C(C=Cc1ccccn1)NC2CSC2 11a_100016994217_100000740811 [0,0,0,1,0,0|3,0,0]=4 3768 B16R2.44148 O=C(C=Cc1ccccn1)NC2CSC2 240690a_100016994217_100000740811 [0,0,0,1,0,0|3,0,0]=4 3769 B16R2.44148 O=C(C=Cc1cccnc1)CC2CCC2 1458a_100000735890_100000763275 [0,0,0,1,0,0|2,0,0]=3 3770 B16R2.44148 O=C(C=Cc1cccnc1)CC2CCO2 1458a_100000735890_100000103362 [0,0,0,1,0,0|3,0,0]=4 3771 B16R2.44148 O=C(C=Cc1cccnc1)CC2COC2 1458a_100000735890_100010264016 [0,0,0,1,0,0|3,0,0]=4 3772 B16R2.44148 O=C(C=Cc1cccnc1)NC2CCC2 11a_100000749019_100000735890 [0,0,0,1,0,0|2,0,0]=3 3773 B16R2.44148 O=C(C=Cc1cccnc1)NC2CCC2 240690a_100000749019_100000735890 [0,0,0,1,0,0|2,0,0]=3 3774 B16R2.44148 O=C(C=Cc1cccnc1)NC2COC2 11a_100016991112_100000735890 [0,0,0,1,0,0|3,0,0]=4 3775 B16R2.44148 O=C(C=Cc1cccnc1)NC2COC2 240690a_100016991112_100000735890 [0,0,0,1,0,0|3,0,0]=4 3776 B16R2.44148 O=C(C=Cc1cccnc1)NC2CSC2 11a_100016994217_100000735890 [0,0,0,1,0,0|3,0,0]=4 3777 B16R2.44148 O=C(C=Cc1cccnc1)NC2CSC2 240690a_100016994217_100000735890 [0,0,0,1,0,0|3,0,0]=4 3778 B16R2.44148 O=C(C=Cc1ccncc1)CC2CCC2 1458a_100000682801_100000763275 [0,0,0,1,0,0|2,0,0]=3 3779 B16R2.44148 O=C(C=Cc1ccncc1)CC2CCO2 1458a_100000682801_100000103362 [0,0,0,1,0,0|3,0,0]=4 3780 B16R2.44148 O=C(C=Cc1ccncc1)CC2COC2 1458a_100000682801_100010264016 [0,0,0,1,0,0|3,0,0]=4 3781 B16R2.44148 O=C(C=Cc1ccncc1)NC2CCC2 240690a_100000749019_100000682801 [0,0,0,1,0,0|2,0,0]=3 3782 B16R2.44148 O=C(C=Cc1ccncc1)NC2COC2 240690a_100016991112_100000682801 [0,0,0,1,0,0|3,0,0]=4 3783 B16R2.44148 O=C(C=Cc1ccncc1)NC2CSC2 240690a_100016994217_100000682801 [0,0,0,1,0,0|3,0,0]=4 3784 B16R2.44148 O=C(CC1CCC1)NCc2ccccc2 11a_100015324214_100000763092 [0,0,0,1,0,0|2,0,1]=4 3785 B16R2.44148 O=C(CC1CCC1)NCc2ccccc2 1626a_100015324214_100000763092 [0,0,0,1,0,0|2,0,1]=4 3786 B16R2.44148 O=C(CC1CCC1)NCc2ccccc2 240690a_100015324214_100000763092 [0,0,0,1,0,0|2,0,1]=4 3787 B16R2.44148 O=C(CC1CCC1)NCc2ccccc2 527a_100015324214_100000763092 [0,0,0,1,0,0|2,0,1]=4 3788 B16R2.44148 O=C(CC1CCC1)NNc2ccccc2 22a_100015195140_100000763092 [0,0,0,1,0,0|3,0,0]=4 3789 B16R2.44148 O=C(CCc1ccccc1)CC2CCC2 1458a_100000185753_100000763275 [0,0,0,1,0,0|1,0,2]=4 3790 B16R2.44148 O=C(CCc1ccccc1)CC2CCC2 1458a_100000763092_100000765856 [0,0,0,1,0,0|1,0,2]=4 3791 B16R2.44148 O=C(CCc1ccccc1)NC2CCC2 11a_100000749019_100000185753 [0,0,0,1,0,0|1,0,2]=4 3792 B16R2.44148 O=C(CCc1ccccc1)NC2CCC2 1626a_100000749019_100000185753 [0,0,0,1,0,0|1,0,2]=4 3793 B16R2.44148 O=C(CCc1ccccc1)NC2CCC2 240690a_100000749019_100000185753 [0,0,0,1,0,0|1,0,2]=4 3794 B16R2.44148 O=C(CCc1ccccc1)NC2CCC2 527a_100000749019_100000185753 [0,0,0,1,0,0|1,0,2]=4 3795 B16R2.44148 O=C(COc1ccccc1)CC2CCC2 1458a_100000186222_100000763275 [0,0,0,1,0,0|2,0,1]=4 3796 B16R2.44148 O=C(COc1ccccc1)NC2CCC2 11a_100000749019_100000186222 [0,0,0,1,0,0|2,0,1]=4 3797 B16R2.44148 O=C(COc1ccccc1)NC2CCC2 1626a_100000749019_100000186222 [0,0,0,1,0,0|2,0,1]=4 3798 B16R2.44148 O=C(COc1ccccc1)NC2CCC2 240690a_100000749019_100000186222 [0,0,0,1,0,0|2,0,1]=4 3799 B16R2.44148 O=C(COc1ccccc1)NC2CCC2 527a_100000749019_100000186222 [0,0,0,1,0,0|2,0,1]=4 3800 B16R2.44148 O=C(CSc1ccccc1)CC2CCC2 1458a_100000211596_100000763275 [0,0,0,1,0,0|2,0,1]=4 3801 B16R2.44148 O=C(CSc1ccccc1)NC2CCC2 11a_100000749019_100000211596 [0,0,0,1,0,0|2,0,1]=4 3802 B16R2.44148 O=C(CSc1ccccc1)NC2CCC2 1626a_100000749019_100000211596 [0,0,0,1,0,0|2,0,1]=4 3803 B16R2.44148 O=C(CSc1ccccc1)NC2CCC2 240690a_100000749019_100000211596 [0,0,0,1,0,0|2,0,1]=4 3804 B16R2.44148 O=C(CSc1ccccc1)NC2CCC2 527a_100000749019_100000211596 [0,0,0,1,0,0|2,0,1]=4 3805 B16R2.44148 O=C(NCc1ccccc1)NC2CCC2 2708a_100015324214_100000749019 [0,0,0,1,0,0|2,0,1]=4 3806 B16R2.44148 O=C(NCc1ccccc1)NC2CCC2 273464a_100000749019_100015324214 [0,0,0,1,0,0|2,0,1]=4 3807 B16R2.44148 O=C(NCc1ccccc1)NC2CCC2 273464a_100015324214_100000749019 [0,0,0,1,0,0|2,0,1]=4 3808 B16R2.44148 O=C(NCc1ccccc1)NC2CCC2 512a_100000749019_100015324214 [0,0,0,1,0,0|2,0,1]=4 3809 B16R2.44148 O=C(NCc1ccccc1)NC2CCC2 512a_100015324214_100000749019 [0,0,0,1,0,0|2,0,1]=4 3810 B16R2.44148 O=C(NNc1ccccc1)NC2CCC2 273464a_100000749019_100015195140 [0,0,0,1,0,0|3,0,0]=4 3811 B16R2.44148 O=C(NNc1ccccc1)NC2CCC2 512a_100000749019_100015195140 [0,0,0,1,0,0|3,0,0]=4 3812 B16R2.44153 CC(=NNC1CC1)C=Cc2ccccc2 4a_100000701032_100000204604 [0,0,0,1,0,0|3,0,0]=4 3813 B16R2.44153 O=C(C#Cc1ccccc1)CCC2CC2 1458a_100000736102_100000694398 [0,0,0,1,0,0|1,0,2]=4 3814 B16R2.44153 O=C(C#Cc1ccccc1)NCC2CC2 240690a_100000735609_100000736102 [0,0,0,1,0,0|1,0,2]=4 3815 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CC2 1458a_100000210462_100000694398 [0,0,0,1,0,0|1,0,0]=2 3816 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CO2 1458a_100000210462_100000732470 [0,0,0,1,0,0|2,0,0]=3 3817 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 11a_100000735609_100000210462 [0,0,0,1,0,0|1,0,0]=2 3818 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 1626a_100000735609_100000210462 [0,0,0,1,0,0|1,0,0]=2 3819 B16R2.44153 O=C(C=Cc1ccccc1)NNC2CC2 22a_100000701032_100000210462 [0,0,0,1,0,0|2,0,0]=3 3820 B16R2.44153 O=C(C=Cc1ccccn1)CCC2CC2 1458a_100000740811_100000694398 [0,0,0,1,0,0|2,0,0]=3 3821 B16R2.44153 O=C(C=Cc1ccccn1)CCC2CO2 1458a_100000740811_100000732470 [0,0,0,1,0,0|3,0,0]=4 3822 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 11a_100000735609_100000740811 [0,0,0,1,0,0|2,0,0]=3 3823 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 240690a_100000735609_100000740811 [0,0,0,1,0,0|2,0,0]=3 3824 B16R2.44153 O=C(C=Cc1ccccn1)NNC2CC2 22a_100000701032_100000740811 [0,0,0,1,0,0|3,0,0]=4 3825 B16R2.44153 O=C(C=Cc1cccnc1)CCC2CC2 1458a_100000735890_100000694398 [0,0,0,1,0,0|2,0,0]=3 3826 B16R2.44153 O=C(C=Cc1cccnc1)CCC2CO2 1458a_100000735890_100000732470 [0,0,0,1,0,0|3,0,0]=4 3827 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 11a_100000735609_100000735890 [0,0,0,1,0,0|2,0,0]=3 3828 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 240690a_100000735609_100000735890 [0,0,0,1,0,0|2,0,0]=3 3829 B16R2.44153 O=C(C=Cc1cccnc1)NNC2CC2 22a_100000701032_100000735890 [0,0,0,1,0,0|3,0,0]=4 3830 B16R2.44153 O=C(C=Cc1ccncc1)CCC2CC2 1458a_100000682801_100000694398 [0,0,0,1,0,0|2,0,0]=3 3831 B16R2.44153 O=C(C=Cc1ccncc1)CCC2CO2 1458a_100000682801_100000732470 [0,0,0,1,0,0|3,0,0]=4 3832 B16R2.44153 O=C(C=Cc1ccncc1)NCC2CC2 240690a_100000735609_100000682801 [0,0,0,1,0,0|2,0,0]=3 3833 B16R2.44153 O=C(C=Cc1ccncc1)NNC2CC2 22a_100000701032_100000682801 [0,0,0,1,0,0|3,0,0]=4 3834 B16R2.44153 O=C(CCC1CC1)COc2ccccc2 1458a_100000186222_100000694398 [0,0,0,1,0,0|2,0,1]=4 3835 B16R2.44153 O=C(CCC1CC1)CSc2ccccc2 1458a_100000211596_100000694398 [0,0,0,1,0,0|2,0,1]=4 3836 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 11a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 3837 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 1626a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 3838 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 240690a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 3839 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 527a_100015324214_100000756386 [0,0,0,1,0,0|2,0,1]=4 3840 B16R2.44153 O=C(CCC1CC1)NNc2ccccc2 22a_100015195140_100000756386 [0,0,0,1,0,0|3,0,0]=4 3841 B16R2.44153 O=C(CCc1ccccc1)CCC2CC2 1458a_100000185753_100000694398 [0,0,0,1,0,0|1,0,2]=4 3842 B16R2.44153 O=C(CCc1ccccc1)CCC2CC2 1458a_100000756386_100000765856 [0,0,0,1,0,0|1,0,2]=4 3843 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 11a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 3844 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 1626a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 3845 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 240690a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 3846 B16R2.44153 O=C(CCc1ccccc1)NCC2CC2 527a_100000735609_100000185753 [0,0,0,1,0,0|1,0,2]=4 3847 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 11a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 3848 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 1626a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 3849 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 240690a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 3850 B16R2.44153 O=C(COc1ccccc1)NCC2CC2 527a_100000735609_100000186222 [0,0,0,1,0,0|2,0,1]=4 3851 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 11a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 3852 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 1626a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 3853 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 240690a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 3854 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 527a_100000735609_100000211596 [0,0,0,1,0,0|2,0,1]=4 3855 B16R2.44153 O=C(NCC1CC1)NNc2ccccc2 273464a_100000735609_100015195140 [0,0,0,1,0,0|3,0,0]=4 3856 B16R2.44153 O=C(NCC1CC1)NNc2ccccc2 512a_100000735609_100015195140 [0,0,0,1,0,0|3,0,0]=4 3857 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 2708a_100000735609_100015324214 [0,0,0,1,0,0|2,0,1]=4 3858 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 2708a_100015324214_100000735609 [0,0,0,1,0,0|2,0,1]=4 3859 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 273464a_100000735609_100015324214 [0,0,0,1,0,0|2,0,1]=4 3860 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 273464a_100015324214_100000735609 [0,0,0,1,0,0|2,0,1]=4 3861 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 512a_100000735609_100015324214 [0,0,0,1,0,0|2,0,1]=4 3862 B16R2.44153 O=C(NCc1ccccc1)NCC2CC2 512a_100015324214_100000735609 [0,0,0,1,0,0|2,0,1]=4 3863 B14R1.86 CCCCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210326 [0,0,0,0,1,0|3,0,0]=4 3864 B14R1.86 CCCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210326 [0,0,0,0,1,0|2,0,0]=3 3865 B14R1.86 CCCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210326 [0,0,0,0,1,0|2,0,0]=3 3866 B14R1.86 CCCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210326 [0,0,0,0,1,0|2,0,0]=3 3867 B14R1.86 CCCCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210326 [0,0,0,0,1,0|3,0,0]=4 3868 B14R1.86 CCCCCC(=O)C=Cc1nccs1 1458a_100102558208_100000210326 [0,0,0,0,1,0|3,0,0]=4 3869 B14R1.86 CCCCCC(=O)C=Cc1nccs1 6a_100000750902_100011215151 [0,0,0,0,1,0|3,0,0]=4 3870 B14R1.86 CCCCNC(=O)C=Cc1c[nH]cn1 240690a_100000102301_100102678534 [0,0,0,0,1,0|3,0,0]=4 3871 B14R1.86 CCCCNC(=O)C=Cc1cccs1 11a_100000102301_100000182767 [0,0,0,0,1,0|2,0,0]=3 3872 B14R1.86 CCCCNC(=O)C=Cc1cccs1 1626a_100000102301_100000182767 [0,0,0,0,1,0|2,0,0]=3 3873 B14R1.86 CCCCNC(=O)C=Cc1cccs1 240690a_100000102301_100000182767 [0,0,0,0,1,0|2,0,0]=3 3874 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 11a_100000102301_100000238621 [0,0,0,0,1,0|2,0,0]=3 3875 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 1626a_100000102301_100000238621 [0,0,0,0,1,0|2,0,0]=3 3876 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 240690a_100000102301_100000238621 [0,0,0,0,1,0|2,0,0]=3 3877 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 11a_100000102301_100000698588 [0,0,0,0,1,0|2,0,0]=3 3878 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 1626a_100000102301_100000698588 [0,0,0,0,1,0|2,0,0]=3 3879 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 240690a_100000102301_100000698588 [0,0,0,0,1,0|2,0,0]=3 3880 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 527a_100000102301_100000698588 [0,0,0,0,1,0|2,0,0]=3 3881 B14R1.86 CCCCNC(=O)C=Cc1cscn1 11a_100000102301_200000747928 [0,0,0,0,1,0|3,0,0]=4 3882 B14R1.86 CCCCNC(=O)C=Cc1cscn1 1626a_100000102301_200000747928 [0,0,0,0,1,0|3,0,0]=4 3883 B14R1.86 CCCCNC(=O)C=Cc1cscn1 240690a_100000102301_200000747928 [0,0,0,0,1,0|3,0,0]=4 3884 B14R1.86 CCCCNC(=O)C=Cc1nccs1 11a_100000102301_100102558208 [0,0,0,0,1,0|3,0,0]=4 3885 B14R1.86 CCCCNC(=O)C=Cc1nccs1 240690a_100000102301_100102558208 [0,0,0,0,1,0|3,0,0]=4 3886 B14R1.86 CCCCOC(=O)COc1ccsc1 34a_100000106738_100000211628 [0,0,0,0,1,0|2,0,1]=4 3887 B14R1.86 CCCCOC(=O)COc1ccsc1 7a_100000106738_100000211628 [0,0,0,0,1,0|2,0,1]=4 3888 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100000211628_100009814098 [0,0,0,0,1,0|2,0,1]=4 3889 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100009814098_100000211628 [0,0,0,0,1,0|2,0,1]=4 3890 B14R1.86 CCCCOC(=O)CSc1cccs1 62a_100000211628_100011215356 [0,0,0,0,1,0|2,0,1]=4 3891 B14R1.86 CCCCOC(=O)CSc1cccs1 62a_100011215356_100000211628 [0,0,0,0,1,0|2,0,1]=4 3892 B14R1.86 CCCCOC(=O)CSc1ccoc1 62a_100000211628_100011215275 [0,0,0,0,1,0|2,0,1]=4 3893 B14R1.86 CCCCOC(=O)CSc1ccoc1 62a_100011215275_100000211628 [0,0,0,0,1,0|2,0,1]=4 3894 B14R1.86 CCCCOC(=O)CSc1ccsc1 62a_100000211628_100000738268 [0,0,0,0,1,0|2,0,1]=4 3895 B14R1.86 CCCCOC(=O)CSc1ccsc1 62a_100000738268_100000211628 [0,0,0,0,1,0|2,0,1]=4 3896 B14R1.86 CCCNNC(=O)C=Cc1ccco1 22a_100000740057_100000720202 [0,0,0,0,1,0|3,0,0]=4 3897 B14R1.86 CCCNNC(=O)C=Cc1cccs1 22a_100000740057_100000182767 [0,0,0,0,1,0|3,0,0]=4 3898 B14R1.86 CCCNNC(=O)C=Cc1ccoc1 22a_100000740057_100000238621 [0,0,0,0,1,0|3,0,0]=4 3899 B14R1.86 CCCNNC(=O)C=Cc1ccsc1 22a_100000740057_100000698588 [0,0,0,0,1,0|3,0,0]=4 3900 B14R1.86 CCOCCC(=O)C=Cc1cccs1 1458a_100000182767_100011215890 [0,0,0,0,1,0|3,0,0]=4 3901 B14R1.86 CCOCCC(=O)C=Cc1ccoc1 1458a_100000238621_100011215890 [0,0,0,0,1,0|3,0,0]=4 3902 B14R1.86 CCOCCC(=O)C=Cc1ccsc1 1458a_100000698588_100011215890 [0,0,0,0,1,0|3,0,0]=4 3903 B14R1.86 CCSCCC(=O)C=Cc1cccs1 1458a_100000182767_100000757381 [0,0,0,0,1,0|3,0,0]=4 3904 B14R1.86 CCSCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000757381 [0,0,0,0,1,0|3,0,0]=4 3905 B14R1.86 CCSCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000757381 [0,0,0,0,1,0|3,0,0]=4 3906 B14R1.86 COCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000740836 [0,0,0,0,1,0|3,0,0]=4 3907 B14R1.86 COCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000740836 [0,0,0,0,1,0|3,0,0]=4 3908 B14R1.86 COCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000740836 [0,0,0,0,1,0|3,0,0]=4 3909 B14R1.86 COCCNC(=O)C=Cc1cccs1 1626a_100000209980_100000182767 [0,0,0,0,1,0|3,0,0]=4 3910 B14R1.86 COCCNC(=O)C=Cc1cccs1 240690a_100000209980_100000182767 [0,0,0,0,1,0|3,0,0]=4 3911 B14R1.86 COCCNC(=O)C=Cc1ccoc1 1626a_100000209980_100000238621 [0,0,0,0,1,0|3,0,0]=4 3912 B14R1.86 COCCNC(=O)C=Cc1ccoc1 240690a_100000209980_100000238621 [0,0,0,0,1,0|3,0,0]=4 3913 B14R1.86 COCCNC(=O)C=Cc1ccsc1 1626a_100000209980_100000698588 [0,0,0,0,1,0|3,0,0]=4 3914 B14R1.86 COCCNC(=O)C=Cc1ccsc1 240690a_100000209980_100000698588 [0,0,0,0,1,0|3,0,0]=4 3915 B14R1.86 COCCNC(=O)C=Cc1ccsc1 527a_100000209980_100000698588 [0,0,0,0,1,0|3,0,0]=4 3916 B14R1.86 CSCCNC(=O)C=Cc1cccs1 11a_100020590264_100000182767 [0,0,0,0,1,0|3,0,0]=4 3917 B14R1.86 CSCCNC(=O)C=Cc1cccs1 1626a_100020590264_100000182767 [0,0,0,0,1,0|3,0,0]=4 3918 B14R1.86 CSCCNC(=O)C=Cc1cccs1 240690a_100020590264_100000182767 [0,0,0,0,1,0|3,0,0]=4 3919 B14R1.86 CSCCNC(=O)C=Cc1ccoc1 11a_100020590264_100000238621 [0,0,0,0,1,0|3,0,0]=4 3920 B14R1.86 CSCCNC(=O)C=Cc1ccoc1 1626a_100020590264_100000238621 [0,0,0,0,1,0|3,0,0]=4 3921 B14R1.86 CSCCNC(=O)C=Cc1ccoc1 240690a_100020590264_100000238621 [0,0,0,0,1,0|3,0,0]=4 3922 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 11a_100020590264_100000698588 [0,0,0,0,1,0|3,0,0]=4 3923 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 1626a_100020590264_100000698588 [0,0,0,0,1,0|3,0,0]=4 3924 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 240690a_100020590264_100000698588 [0,0,0,0,1,0|3,0,0]=4 3925 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 527a_100020590264_100000698588 [0,0,0,0,1,0|3,0,0]=4 3926 B14R1.86 O=C(C=Cc1cccs1)CCCCF 1458a_100000182767_100000729493 [0,0,0,0,1,0|3,0,0]=4 3927 B14R1.86 O=C(C=Cc1cccs1)CCCCO 1458a_100000182767_100000210776 [0,0,0,0,1,0|3,0,0]=4 3928 B14R1.86 O=C(C=Cc1cccs1)NCCCF 11a_100015189416_100000182767 [0,0,0,0,1,0|3,0,0]=4 3929 B14R1.86 O=C(C=Cc1cccs1)NCCCF 1626a_100015189416_100000182767 [0,0,0,0,1,0|3,0,0]=4 3930 B14R1.86 O=C(C=Cc1cccs1)NCCCF 240690a_100015189416_100000182767 [0,0,0,0,1,0|3,0,0]=4 3931 B14R1.86 O=C(C=Cc1cccs1)NCCCO 240690a_100000182051_100000182767 [0,0,0,0,1,0|3,0,0]=4 3932 B14R1.86 O=C(C=Cc1ccoc1)CCCCF 1458a_100000238621_100000729493 [0,0,0,0,1,0|3,0,0]=4 3933 B14R1.86 O=C(C=Cc1ccoc1)CCCCO 1458a_100000238621_100000210776 [0,0,0,0,1,0|3,0,0]=4 3934 B14R1.86 O=C(C=Cc1ccoc1)NCCCF 11a_100015189416_100000238621 [0,0,0,0,1,0|3,0,0]=4 3935 B14R1.86 O=C(C=Cc1ccoc1)NCCCF 1626a_100015189416_100000238621 [0,0,0,0,1,0|3,0,0]=4 3936 B14R1.86 O=C(C=Cc1ccoc1)NCCCF 240690a_100015189416_100000238621 [0,0,0,0,1,0|3,0,0]=4 3937 B14R1.86 O=C(C=Cc1ccoc1)NCCCO 240690a_100000182051_100000238621 [0,0,0,0,1,0|3,0,0]=4 3938 B14R1.86 O=C(C=Cc1ccsc1)CCCCF 1458a_100000698588_100000729493 [0,0,0,0,1,0|3,0,0]=4 3939 B14R1.86 O=C(C=Cc1ccsc1)CCCCO 1458a_100000698588_100000210776 [0,0,0,0,1,0|3,0,0]=4 3940 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 11a_100015189416_100000698588 [0,0,0,0,1,0|3,0,0]=4 3941 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 1626a_100015189416_100000698588 [0,0,0,0,1,0|3,0,0]=4 3942 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 240690a_100015189416_100000698588 [0,0,0,0,1,0|3,0,0]=4 3943 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 527a_100015189416_100000698588 [0,0,0,0,1,0|3,0,0]=4 3944 B14R1.86 O=C(C=Cc1ccsc1)NCCCO 240690a_100000182051_100000698588 [0,0,0,0,1,0|3,0,0]=4 3945 B14R1.86 O=C(C=Cc1ccsc1)NCCCO 527a_100000182051_100000698588 [0,0,0,0,1,0|3,0,0]=4 3946 B14R1.158 CCCC#CC(=O)Cc1ccccc1 1458a_200011218047_100015291786 [0,0,0,0,1,0|1,0,2]=4 3947 B14R1.158 CCCC#CC(=O)Nc1ccccc1 22a_100000106764_200011218047 [0,0,0,0,1,0|2,0,1]=4 3948 B14R1.158 CCCC=CC(=O)Cc1ccccc1 1458a_100000212230_100015291786 [0,0,0,0,1,0|1,0,2]=4 3949 B14R1.158 CCCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212230 [0,0,0,0,1,0|2,0,1]=4 3950 B14R1.158 CCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212230 [0,0,0,0,1,0|2,0,1]=4 3951 B14R1.158 CCCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212230 [0,0,0,0,1,0|2,0,1]=4 3952 B14R1.158 CCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210326 [0,0,0,0,1,0|2,0,1]=4 3953 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [0,0,0,0,1,0|1,0,1]=3 3954 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000212188_100000721315 [0,0,0,0,1,0|2,0,1]=4 3955 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210326 [0,0,0,0,1,0|2,0,1]=4 3956 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000212188_100000733263 [0,0,0,0,1,0|2,0,1]=4 3957 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210326 [0,0,0,0,1,0|2,0,1]=4 3958 B14R1.158 CCCCCC(=O)Cc1ccncc1 1458a_100000212188_100000705612 [0,0,0,0,1,0|2,0,1]=4 3959 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [0,0,0,0,1,0|2,0,0]=3 3960 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [0,0,0,0,1,0|2,0,0]=3 3961 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [0,0,0,0,1,0|2,0,0]=3 3962 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [0,0,0,0,1,0|2,0,0]=3 3963 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 11a_100000102301_200000086051 [0,0,0,0,1,0|2,0,1]=4 3964 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 240690a_100000102301_200000086051 [0,0,0,0,1,0|2,0,1]=4 3965 B14R1.158 CCCCNC(=O)C[n+]1ccccc1 527a_100000102301_200000086051 [0,0,0,0,1,0|2,0,1]=4 3966 B14R1.158 CCCCNC(=O)Cc1ccccn1 11a_100000102301_100000233486 [0,0,0,0,1,0|2,0,1]=4 3967 B14R1.158 CCCCNC(=O)Cc1cccnc1 11a_100000102301_100000737805 [0,0,0,0,1,0|2,0,1]=4 3968 B14R1.158 CCCCNC(=O)Cc1cccnc1 240690a_100000102301_100000737805 [0,0,0,0,1,0|2,0,1]=4 3969 B14R1.158 CCCCNC(=O)Cc1cccnc1 527a_100000102301_100000737805 [0,0,0,0,1,0|2,0,1]=4 3970 B14R1.158 CCCCNC(=O)Cc1ccncc1 11a_100000102301_100011201483 [0,0,0,0,1,0|2,0,1]=4 3971 B14R1.158 CCCCNC(=O)Cc1ccncc1 240690a_100000102301_100011201483 [0,0,0,0,1,0|2,0,1]=4 3972 B14R1.158 CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000102301 [0,0,0,0,1,0|2,0,0]=3 3973 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [0,0,0,0,1,0|1,0,2]=4 3974 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [0,0,0,0,1,0|1,0,2]=4 3975 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [0,0,0,0,1,0|1,0,2]=4 3976 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [0,0,0,0,1,0|1,0,2]=4 3977 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210303 [0,0,0,0,1,0|3,0,0]=4 3978 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210303 [0,0,0,0,1,0|3,0,0]=4 3979 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [0,0,0,0,1,0|2,0,1]=4 3980 B14R1.158 CCCOCC(=O)Nc1ccccc1 11a_100000106764_100000745993 [0,0,0,0,1,0|3,0,0]=4 3981 B14R1.158 CCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000745993 [0,0,0,0,1,0|3,0,0]=4 3982 B14R1.158 CCCOCC(=O)Nc1ccccc1 22a_100000106764_100000745993 [0,0,0,0,1,0|3,0,0]=4 3983 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000210258_100000182850 [0,0,0,0,1,0|3,0,0]=4 3984 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210303 [0,0,0,0,1,0|3,0,0]=4 3985 B14R1.158 CCCOCC(=O)Nc1ccccc1 527a_100000106764_100000745993 [0,0,0,0,1,0|3,0,0]=4 3986 B14R1.158 CCCOCC(=O)Oc1ccccc1 34a_100000210258_100009813826 [0,0,0,0,1,0|3,0,0]=4 3987 B14R1.158 CCCSCC(=O)Cc1ccccc1 1458a_100000217233_100015291786 [0,0,0,0,1,0|2,0,1]=4 3988 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000210303_100000233483 [0,0,0,0,1,0|2,0,1]=4 3989 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210303 [0,0,0,0,1,0|2,0,1]=4 3990 B14R1.158 CCCSCC(=O)Nc1ccccc1 11a_100000106764_100000217233 [0,0,0,0,1,0|3,0,0]=4 3991 B14R1.158 CCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000217233 [0,0,0,0,1,0|3,0,0]=4 3992 B14R1.158 CCCSCC(=O)Nc1ccccc1 22a_100000106764_100000217233 [0,0,0,0,1,0|3,0,0]=4 3993 B14R1.158 CCCSCC(=O)Nc1ccccc1 527a_100000106764_100000217233 [0,0,0,0,1,0|3,0,0]=4 3994 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100000210303_100000182850 [0,0,0,0,1,0|3,0,0]=4 3995 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210303 [0,0,0,0,1,0|3,0,0]=4 3996 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100000210303_100009813826 [0,0,0,0,1,0|3,0,0]=4 3997 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210303 [0,0,0,0,1,0|3,0,0]=4 3998 B14R1.158 CCNCCC(=O)Nc1ccccc1 2230a_100015525214_100000242058 [0,0,0,0,1,0|3,0,0]=4 3999 B14R1.158 CCNCCC(=O)Oc1ccccc1 2230a_100015525214_200000035796 [0,0,0,0,1,0|3,0,0]=4 4000 B14R1.158 CCOCCC(=O)Cc1ccccc1 1458a_100000749530_100015291786 [0,0,0,0,1,0|2,0,1]=4 4001 B14R1.158 CCOCCC(=O)Nc1ccccc1 11a_100000106764_100000749530 [0,0,0,0,1,0|3,0,0]=4 4002 B14R1.158 CCOCCC(=O)Nc1ccccc1 1626a_100000106764_100000749530 [0,0,0,0,1,0|3,0,0]=4 4003 B14R1.158 CCOCCC(=O)Nc1ccccc1 22a_100000106764_100000749530 [0,0,0,0,1,0|3,0,0]=4 4004 B14R1.158 CCOCCC(=O)Nc1ccccc1 34a_100121572206_100000242058 [0,0,0,0,1,0|3,0,0]=4 4005 B14R1.158 CCOCCC(=O)Nc1ccccc1 527a_100000106764_100000749530 [0,0,0,0,1,0|3,0,0]=4 4006 B14R1.158 CCSCCC(=O)Cc1ccccc1 1458a_100000230768_100015291786 [0,0,0,0,1,0|2,0,1]=4 4007 B14R1.158 CCSCCC(=O)Nc1ccccc1 11a_100000106764_100000230768 [0,0,0,0,1,0|3,0,0]=4 4008 B14R1.158 CCSCCC(=O)Nc1ccccc1 1626a_100000106764_100000230768 [0,0,0,0,1,0|3,0,0]=4 4009 B14R1.158 CCSCCC(=O)Nc1ccccc1 22a_100000106764_100000230768 [0,0,0,0,1,0|3,0,0]=4 4010 B14R1.158 CCSCCC(=O)Nc1ccccc1 527a_100000106764_100000230768 [0,0,0,0,1,0|3,0,0]=4 4011 B14R1.158 CCSCCC(=O)Nc1ccccc1 62a_100000210202_100000242058 [0,0,0,0,1,0|3,0,0]=4 4012 B14R1.158 CCSCCC(=O)Oc1ccccc1 62a_100000210202_200000035796 [0,0,0,0,1,0|3,0,0]=4 4013 B14R1.158 CNCCCC(=O)Nc1ccccc1 2230a_106832991635_100011194425 [0,0,0,0,1,0|3,0,0]=4 4014 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100000750157_200000210301 [0,0,0,0,1,0|3,0,0]=4 4015 B14R1.158 CNCCCC(=O)Nc1ccccc1 34a_100102657272_100011194425 [0,0,0,0,1,0|3,0,0]=4 4016 B14R1.158 CNCCCC(=O)Nc1ccccc1 7a_106832991635_100011194425 [0,0,0,0,1,0|3,0,0]=4 4017 B14R1.158 COCCCC(=O)Cc1ccccc1 1458a_100000741012_100015291786 [0,0,0,0,1,0|2,0,1]=4 4018 B14R1.158 COCCCC(=O)Nc1ccccc1 11a_100000106764_100000741012 [0,0,0,0,1,0|3,0,0]=4 4019 B14R1.158 COCCCC(=O)Nc1ccccc1 1626a_100000106764_100000741012 [0,0,0,0,1,0|3,0,0]=4 4020 B14R1.158 COCCCC(=O)Nc1ccccc1 22a_100000106764_100000741012 [0,0,0,0,1,0|3,0,0]=4 4021 B14R1.158 COCCCC(=O)Nc1ccccc1 34a_100138415774_100011194425 [0,0,0,0,1,0|3,0,0]=4 4022 B14R1.158 COCCCC(=O)Nc1ccccc1 527a_100000106764_100000741012 [0,0,0,0,1,0|3,0,0]=4 4023 B14R1.158 COCCNC(=O)Nc1ccccc1 2430a_100000106764_100000209980 [0,0,0,0,1,0|3,0,0]=4 4024 B14R1.158 CSCCCC(=O)Cc1ccccc1 1458a_100000173376_100015291786 [0,0,0,0,1,0|2,0,1]=4 4025 B14R1.158 CSCCCC(=O)Nc1ccccc1 11a_100000106764_100000173376 [0,0,0,0,1,0|3,0,0]=4 4026 B14R1.158 CSCCCC(=O)Nc1ccccc1 1626a_100000106764_100000173376 [0,0,0,0,1,0|3,0,0]=4 4027 B14R1.158 CSCCCC(=O)Nc1ccccc1 22a_100000106764_100000173376 [0,0,0,0,1,0|3,0,0]=4 4028 B14R1.158 CSCCCC(=O)Nc1ccccc1 527a_100000106764_100000173376 [0,0,0,0,1,0|3,0,0]=4 4029 B14R1.158 CSCCCC(=O)Nc1ccccc1 62a_200000210301_100011194425 [0,0,0,0,1,0|3,0,0]=4 4030 B14R1.158 CSCCNC(=O)Nc1ccccc1 2430a_100000106764_100020590264 [0,0,0,0,1,0|3,0,0]=4 4031 B14R1.158 O=C(CCCCO)Cc1ccccc1 1458a_100000695505_100015291786 [0,0,0,0,1,0|2,0,1]=4 4032 B14R1.158 O=C(CCCCO)Nc1ccccc1 1626a_100000106764_100000695505 [0,0,0,0,1,0|3,0,0]=4 4033 B14R1.158 O=C(NCCCF)Nc1ccccc1 2430a_100000106764_100015189416 [0,0,0,0,1,0|3,0,0]=4 4034 B14R1.158 O=C(NCCCO)Nc1ccccc1 2430a_100000106764_100000182051 [0,0,0,0,1,0|3,0,0]=4 4035 B14R1.158 [13CH3]NCCCC(=O)Nc1ccccc1 34a_100000750157_200025704644 [0,0,0,0,1,0|3,0,0]=4 4036 B14R1.158 [13CH3]SCCCC(=O)Nc1ccccc1 62a_200025704644_100011194425 [0,0,0,0,1,0|3,0,0]=4 4037 B16R1.1694 C#CCCCC(=O)C/C=C/c1ccccc1 1458a_100000690238_100016265936 [0,0,0,0,0,1|1,0,2]=4 4038 B16R1.1694 C#CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000731252 [0,0,0,0,0,1|1,0,2]=4 4039 B16R1.1694 C#CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000731252 [0,0,0,0,0,1|1,0,2]=4 4040 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 11a_100000755551_100011219626 [0,0,0,0,0,1|1,0,2]=4 4041 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 1626a_100000755551_100011219626 [0,0,0,0,0,1|1,0,2]=4 4042 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 240690a_100000755551_100011219626 [0,0,0,0,0,1|1,0,2]=4 4043 B16R1.1694 C#CCCNC(=O)C=CSc1ccccc1 11a_100000755551_100016262050 [0,0,0,0,0,1|1,0,2]=4 4044 B16R1.1694 C#CCCNC(=O)C=CSc1ccccc1 1626a_100000755551_100016262050 [0,0,0,0,0,1|1,0,2]=4 4045 B16R1.1694 C#CCCNC(=O)C=CSc1ccccc1 240690a_100000755551_100016262050 [0,0,0,0,0,1|1,0,2]=4 4046 B16R1.1694 C=CCCCC(=O)C/C=C/c1ccccc1 1458a_100000766728_100016265936 [0,0,0,0,0,1|1,0,2]=4 4047 B16R1.1694 C=CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000757094 [0,0,0,0,0,1|1,0,2]=4 4048 B16R1.1694 C=CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000757094 [0,0,0,0,0,1|1,0,2]=4 4049 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 11a_100015191253_100011219626 [0,0,0,0,0,1|1,0,2]=4 4050 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 1626a_100015191253_100011219626 [0,0,0,0,0,1|1,0,2]=4 4051 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 240690a_100015191253_100011219626 [0,0,0,0,0,1|1,0,2]=4 4052 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 11a_100015191253_100016262050 [0,0,0,0,0,1|1,0,2]=4 4053 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 1626a_100015191253_100016262050 [0,0,0,0,0,1|1,0,2]=4 4054 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 240690a_100015191253_100016262050 [0,0,0,0,0,1|1,0,2]=4 4055 B16R1.1694 CC#CCNC(=O)C/C=C/c1ccccc1 11a_100000685387_100011219626 [0,0,0,0,0,1|1,0,2]=4 4056 B16R1.1694 CC#CCNC(=O)C/C=C/c1ccccc1 1626a_100000685387_100011219626 [0,0,0,0,0,1|1,0,2]=4 4057 B16R1.1694 CC#CCNC(=O)C=CSc1ccccc1 11a_100000685387_100016262050 [0,0,0,0,0,1|1,0,2]=4 4058 B16R1.1694 CC#CCNC(=O)C=CSc1ccccc1 1626a_100000685387_100016262050 [0,0,0,0,0,1|1,0,2]=4 4059 B16R1.1694 CC/C=C/CC(=O)C/C=C/c1ccccc1 1458a_100016274230_100016265936 [0,0,0,0,0,1|1,0,2]=4 4060 B16R1.1694 CC/C=C\CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100103147603 [0,0,0,0,0,1|1,0,2]=4 4061 B16R1.1694 CC/C=C\CC(=O)C=CSc1ccccc1 1458a_100016262050_100103147603 [0,0,0,0,0,1|1,0,2]=4 4062 B16R1.1694 CCC#CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100009813939 [0,0,0,0,0,1|1,0,2]=4 4063 B16R1.1694 CCC#CCC(=O)C=CSc1ccccc1 1458a_100016262050_100009813939 [0,0,0,0,0,1|1,0,2]=4 4064 B16R1.1694 CCCC#CC(=O)C/C=C/c1ccccc1 1458a_200011218047_100016265936 [0,0,0,0,0,1|1,0,1]=3 4065 B16R1.1694 CCCC=CC(=O)C/C=C/c1ccccc1 1458a_100000212230_100016265936 [0,0,0,0,0,1|1,0,1]=3 4066 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100000212188_100016265936 [0,0,0,0,0,1|1,0,0]=2 4067 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210326 [0,0,0,0,0,1|1,0,0]=2 4068 B16R1.1694 CCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210326 [0,0,0,0,0,1|1,0,0]=2 4069 B16R1.1694 CCCCCC(=O)CC#Cc1ccccc1 1458a_100000212188_100011352542 [0,0,0,0,0,1|1,0,2]=4 4070 B16R1.1694 CCCCCC(=O)CCCc1ccccc1 1458a_100000212188_100000211621 [0,0,0,0,0,1|1,0,2]=4 4071 B16R1.1694 CCCCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210326 [0,0,0,0,0,1|1,0,2]=4 4072 B16R1.1694 CCCCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210326 [0,0,0,0,0,1|1,0,2]=4 4073 B16R1.1694 CCCCCC(=O)CCOc1ccccc1 1458a_100000212188_100000184471 [0,0,0,0,0,1|1,0,2]=4 4074 B16R1.1694 CCCCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210326 [0,0,0,0,0,1|1,0,2]=4 4075 B16R1.1694 CCCCCC(=O)CCSc1ccccc1 1458a_100000212188_100000246102 [0,0,0,0,0,1|1,0,2]=4 4076 B16R1.1694 CCCCCC(=O)CNCc1ccccc1 2230a_100015324214_200012276598 [0,0,0,0,0,1|1,0,2]=4 4077 B16R1.1694 CCCCCC(=O)CNCc1ccccc1 34a_100015324214_200012276598 [0,0,0,0,0,1|1,0,2]=4 4078 B16R1.1694 CCCCCC(=O)COCc1ccccc1 1458a_100000230186_100000210326 [0,0,0,0,0,1|1,0,2]=4 4079 B16R1.1694 CCCCCC(=O)COCc1ccccc1 34a_100000210790_200012276598 [0,0,0,0,0,1|1,0,2]=4 4080 B16R1.1694 CCCCCC(=O)COCc1ccccc1 7a_100000210790_200012276598 [0,0,0,0,0,1|1,0,2]=4 4081 B16R1.1694 CCCCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210326 [0,0,0,0,0,1|1,0,2]=4 4082 B16R1.1694 CCCCCC(=O)CSCc1ccccc1 1458a_100000212188_200011217039 [0,0,0,0,0,1|1,0,2]=4 4083 B16R1.1694 CCCCCC(=O)CSCc1ccccc1 62a_100000211182_200012276598 [0,0,0,0,0,1|1,0,2]=4 4084 B16R1.1694 CCCCCC(=O)CSCc1ccccc1 62a_200012276598_100015291786 [0,0,0,0,0,1|1,0,2]=4 4085 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 11a_100000106460_100000212188 [0,0,0,0,0,1|1,0,2]=4 4086 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 1626a_100000106460_100000212188 [0,0,0,0,0,1|1,0,2]=4 4087 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 240690a_100000106460_100000212188 [0,0,0,0,0,1|1,0,2]=4 4088 B16R1.1694 CCCCCC(=O)NCCc1ccccc1 527a_100000106460_100000212188 [0,0,0,0,0,1|1,0,2]=4 4089 B16R1.1694 CCCCCC(=O)NN=Cc1ccccc1 4a_100000189784_100015611070 [0,0,0,0,0,1|2,0,0]=3 4090 B16R1.1694 CCCCCC(=O)NN=Cc1ccccn1 4a_100000189784_100000209966 [0,0,0,0,0,1|3,0,0]=4 4091 B16R1.1694 CCCCCC(=O)NN=Cc1cccnc1 4a_100000189784_100000209961 [0,0,0,0,0,1|3,0,0]=4 4092 B16R1.1694 CCCCCC(=O)NN=Cc1ccncc1 4a_100000189784_100000186114 [0,0,0,0,0,1|3,0,0]=4 4093 B16R1.1694 CCCCCC(=O)NNCc1ccccc1 22a_100000007032_100000212188 [0,0,0,0,0,1|2,0,1]=4 4094 B16R1.1694 CCCCCN(C)C/C=C/c1ccccc1 2230a_100000223495_100016265936 [0,0,0,0,0,1|3,0,0]=4 4095 B16R1.1694 CCCCCN(C)C/C=C/c1ccccc1 269982a_100000223495_100016265936 [0,0,0,0,0,1|3,0,0]=4 4096 B16R1.1694 CCCCCN(C)CC=Cc1ccccc1 270004a_100000223495_100000210105 [0,0,0,0,0,1|3,0,0]=4 4097 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 11a_100000102301_100011219626 [0,0,0,0,0,1|1,0,0]=2 4098 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 1626a_100000102301_100011219626 [0,0,0,0,0,1|1,0,0]=2 4099 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 240690a_100000102301_100011219626 [0,0,0,0,0,1|1,0,0]=2 4100 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 11a_100000102301_100016262050 [0,0,0,0,0,1|1,0,0]=2 4101 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 1626a_100000102301_100016262050 [0,0,0,0,0,1|1,0,0]=2 4102 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 240690a_100000102301_100016262050 [0,0,0,0,0,1|1,0,0]=2 4103 B16R1.1694 CCCCNC(=O)CCCc1ccccc1 11a_100000102301_100011207963 [0,0,0,0,0,1|1,0,2]=4 4104 B16R1.1694 CCCCNC(=O)CCCc1ccccc1 1626a_100000102301_100011207963 [0,0,0,0,0,1|1,0,2]=4 4105 B16R1.1694 CCCCNC(=O)CCCc1ccccc1 240690a_100000102301_100011207963 [0,0,0,0,0,1|1,0,2]=4 4106 B16R1.1694 CCCCNC(=O)CCCc1ccccc1 527a_100000102301_100011207963 [0,0,0,0,0,1|1,0,2]=4 4107 B16R1.1694 CCCCNC(=O)CCOc1ccccc1 11a_100000102301_100000182761 [0,0,0,0,0,1|1,0,2]=4 4108 B16R1.1694 CCCCNC(=O)CCOc1ccccc1 1626a_100000102301_100000182761 [0,0,0,0,0,1|1,0,2]=4 4109 B16R1.1694 CCCCNC(=O)CCOc1ccccc1 240690a_100000102301_100000182761 [0,0,0,0,0,1|1,0,2]=4 4110 B16R1.1694 CCCCNC(=O)CCSc1ccccc1 11a_100000102301_100000182436 [0,0,0,0,0,1|1,0,2]=4 4111 B16R1.1694 CCCCNC(=O)CCSc1ccccc1 1626a_100000102301_100000182436 [0,0,0,0,0,1|1,0,2]=4 4112 B16R1.1694 CCCCNC(=O)CCSc1ccccc1 240690a_100000102301_100000182436 [0,0,0,0,0,1|1,0,2]=4 4113 B16R1.1694 CCCCNC(=O)CNCc1ccccc1 2230a_100015324214_100000182744 [0,0,0,0,0,1|1,0,2]=4 4114 B16R1.1694 CCCCNC(=O)CNCc1ccccc1 34a_100015324214_100000182744 [0,0,0,0,0,1|1,0,2]=4 4115 B16R1.1694 CCCCNC(=O)COCc1ccccc1 11a_100000102301_100000230186 [0,0,0,0,0,1|1,0,2]=4 4116 B16R1.1694 CCCCNC(=O)COCc1ccccc1 1626a_100000102301_100000230186 [0,0,0,0,0,1|1,0,2]=4 4117 B16R1.1694 CCCCNC(=O)COCc1ccccc1 240690a_100000102301_100000230186 [0,0,0,0,0,1|1,0,2]=4 4118 B16R1.1694 CCCCNC(=O)COCc1ccccc1 34a_100000210790_100000182744 [0,0,0,0,0,1|1,0,2]=4 4119 B16R1.1694 CCCCNC(=O)COCc1ccccc1 527a_100000102301_100000230186 [0,0,0,0,0,1|1,0,2]=4 4120 B16R1.1694 CCCCNC(=O)COCc1ccccc1 7a_100000210790_100000182744 [0,0,0,0,0,1|1,0,2]=4 4121 B16R1.1694 CCCCNC(=O)CSCc1ccccc1 11a_100000102301_100000150264 [0,0,0,0,0,1|1,0,2]=4 4122 B16R1.1694 CCCCNC(=O)CSCc1ccccc1 1626a_100000102301_100000150264 [0,0,0,0,0,1|1,0,2]=4 4123 B16R1.1694 CCCCNC(=O)CSCc1ccccc1 240690a_100000102301_100000150264 [0,0,0,0,0,1|1,0,2]=4 4124 B16R1.1694 CCCCNC(=O)CSCc1ccccc1 527a_100000102301_100000150264 [0,0,0,0,0,1|1,0,2]=4 4125 B16R1.1694 CCCCNC(=O)CSCc1ccccc1 62a_100000182744_100015291786 [0,0,0,0,0,1|1,0,2]=4 4126 B16R1.1694 CCCCNC(=O)CSCc1ccccc1 62a_100000211182_100000182744 [0,0,0,0,0,1|1,0,2]=4 4127 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 2708a_100000102301_100000106460 [0,0,0,0,0,1|1,0,2]=4 4128 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 2708a_100000106460_100000102301 [0,0,0,0,0,1|1,0,2]=4 4129 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 273464a_100000102301_100000106460 [0,0,0,0,0,1|1,0,2]=4 4130 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 273464a_100000106460_100000102301 [0,0,0,0,0,1|1,0,2]=4 4131 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 512a_100000102301_100000106460 [0,0,0,0,0,1|1,0,2]=4 4132 B16R1.1694 CCCCNC(=O)NCCc1ccccc1 512a_100000106460_100000102301 [0,0,0,0,0,1|1,0,2]=4 4133 B16R1.1694 CCCCNC(=O)NNCc1ccccc1 273464a_100000102301_100000007032 [0,0,0,0,0,1|2,0,1]=4 4134 B16R1.1694 CCCCNC(=O)NNCc1ccccc1 512a_100000102301_100000007032 [0,0,0,0,0,1|2,0,1]=4 4135 B16R1.1694 CCCCOC(=O)CNCc1ccccc1 2230a_100015324214_100000211628 [0,0,0,0,0,1|0,0,2]=3 4136 B16R1.1694 CCCCOC(=O)CNCc1ccccc1 34a_100015324214_100000211628 [0,0,0,0,0,1|0,0,2]=3 4137 B16R1.1694 CCCCOC(=O)COCc1ccccc1 34a_100000210790_100000211628 [0,0,0,0,0,1|0,0,2]=3 4138 B16R1.1694 CCCCOC(=O)COCc1ccccc1 7a_100000210790_100000211628 [0,0,0,0,0,1|0,0,2]=3 4139 B16R1.1694 CCCCOC(=O)CSCc1ccccc1 62a_100000211182_100000211628 [0,0,0,0,0,1|0,0,2]=3 4140 B16R1.1694 CCCCOC(=O)CSCc1ccccc1 62a_100000211628_100015291786 [0,0,0,0,0,1|0,0,2]=3 4141 B16R1.1694 CCCCOC(=O)CSCc1ccccn1 62a_100000211628_100000721315 [0,0,0,0,0,1|1,0,2]=4 4142 B16R1.1694 CCCCOC(=O)CSCc1ccccn1 62a_100000721315_100000211628 [0,0,0,0,0,1|1,0,2]=4 4143 B16R1.1694 CCCCOC(=O)CSCc1cccnc1 62a_100000211628_100000741622 [0,0,0,0,0,1|1,0,2]=4 4144 B16R1.1694 CCCCOC(=O)CSCc1cccnc1 62a_100000741622_100000211628 [0,0,0,0,0,1|1,0,2]=4 4145 B16R1.1694 CCCCOC(=O)CSCc1ccncc1 62a_100000211628_100015193705 [0,0,0,0,0,1|1,0,2]=4 4146 B16R1.1694 CCCCOC(=O)CSCc1ccncc1 62a_100015193705_100000211628 [0,0,0,0,0,1|1,0,2]=4 4147 B16R1.1694 CCCNNC(=O)C/C=C/c1ccccc1 22a_100000740057_100011219626 [0,0,0,0,0,1|2,0,0]=3 4148 B16R1.1694 CCCNNC(=O)C=CSc1ccccc1 22a_100000740057_100016262050 [0,0,0,0,0,1|2,0,0]=3 4149 B16R1.1694 CCCOCC(=O)C/C=C/c1ccccc1 1458a_100000745993_100016265936 [0,0,0,0,0,1|2,0,0]=3 4150 B16R1.1694 CCCSCC(=O)C/C=C/c1ccccc1 1458a_100000217233_100016265936 [0,0,0,0,0,1|2,0,0]=3 4151 B16R1.1694 CCOC=CC(=O)C/C=C/c1ccccc1 1458a_100016266692_100016265936 [0,0,0,0,0,1|2,0,1]=4 4152 B16R1.1694 CCOCCC(=O)C/C=C/c1ccccc1 1458a_100000749530_100016265936 [0,0,0,0,0,1|2,0,0]=3 4153 B16R1.1694 CCOCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215890 [0,0,0,0,0,1|2,0,0]=3 4154 B16R1.1694 CCOCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215890 [0,0,0,0,0,1|2,0,0]=3 4155 B16R1.1694 CCSCCC(=O)C/C=C/c1ccccc1 1458a_100000230768_100016265936 [0,0,0,0,0,1|2,0,0]=3 4156 B16R1.1694 CCSCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000757381 [0,0,0,0,0,1|2,0,0]=3 4157 B16R1.1694 CCSCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000757381 [0,0,0,0,0,1|2,0,0]=3 4158 B16R1.1694 COCC=CC(=O)C/C=C/c1ccccc1 1458a_100016285016_100016265936 [0,0,0,0,0,1|2,0,1]=4 4159 B16R1.1694 COCCCC(=O)C/C=C/c1ccccc1 1458a_100000741012_100016265936 [0,0,0,0,0,1|2,0,0]=3 4160 B16R1.1694 COCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000740836 [0,0,0,0,0,1|2,0,0]=3 4161 B16R1.1694 COCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000740836 [0,0,0,0,0,1|2,0,0]=3 4162 B16R1.1694 COCCNC(=O)C/C=C/c1ccccc1 1626a_100000209980_100011219626 [0,0,0,0,0,1|2,0,0]=3 4163 B16R1.1694 COCCNC(=O)C/C=C/c1ccccc1 240690a_100000209980_100011219626 [0,0,0,0,0,1|2,0,0]=3 4164 B16R1.1694 COCCNC(=O)C=CSc1ccccc1 1626a_100000209980_100016262050 [0,0,0,0,0,1|2,0,0]=3 4165 B16R1.1694 COCCNC(=O)C=CSc1ccccc1 240690a_100000209980_100016262050 [0,0,0,0,0,1|2,0,0]=3 4166 B16R1.1694 COCCOC(=O)CNCc1ccccc1 2230a_100015324214_200000040189 [0,0,0,0,0,1|1,0,2]=4 4167 B16R1.1694 COCCOC(=O)CNCc1ccccc1 34a_100015324214_200000040189 [0,0,0,0,0,1|1,0,2]=4 4168 B16R1.1694 COCCOC(=O)COCc1ccccc1 34a_100000210790_200000040189 [0,0,0,0,0,1|1,0,2]=4 4169 B16R1.1694 COCCOC(=O)COCc1ccccc1 7a_100000210790_200000040189 [0,0,0,0,0,1|1,0,2]=4 4170 B16R1.1694 COCCOC(=O)CSCc1ccccc1 62a_100000211182_200000040189 [0,0,0,0,0,1|1,0,2]=4 4171 B16R1.1694 COCCOC(=O)CSCc1ccccc1 62a_200000040189_100015291786 [0,0,0,0,0,1|1,0,2]=4 4172 B16R1.1694 CSCCCC(=O)C/C=C/c1ccccc1 1458a_100000173376_100016265936 [0,0,0,0,0,1|2,0,0]=3 4173 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 11a_100020590264_100011219626 [0,0,0,0,0,1|2,0,0]=3 4174 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 1626a_100020590264_100011219626 [0,0,0,0,0,1|2,0,0]=3 4175 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 240690a_100020590264_100011219626 [0,0,0,0,0,1|2,0,0]=3 4176 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 11a_100020590264_100016262050 [0,0,0,0,0,1|2,0,0]=3 4177 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 1626a_100020590264_100016262050 [0,0,0,0,0,1|2,0,0]=3 4178 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 240690a_100020590264_100016262050 [0,0,0,0,0,1|2,0,0]=3 4179 B16R1.1694 N#CCCCC(=O)C/C=C/c1ccccc1 1458a_100000075515_100016265936 [0,0,0,0,0,1|2,0,1]=4 4180 B16R1.1694 N#CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000211468 [0,0,0,0,0,1|2,0,1]=4 4181 B16R1.1694 N#CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000211468 [0,0,0,0,0,1|2,0,1]=4 4182 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 11a_100000720768_100011219626 [0,0,0,0,0,1|2,0,1]=4 4183 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 1626a_100000720768_100011219626 [0,0,0,0,0,1|2,0,1]=4 4184 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 240690a_100000720768_100011219626 [0,0,0,0,0,1|2,0,1]=4 4185 B16R1.1694 N#CCCNC(=O)C=CSc1ccccc1 11a_100000720768_100016262050 [0,0,0,0,0,1|2,0,1]=4 4186 B16R1.1694 N#CCCNC(=O)C=CSc1ccccc1 1626a_100000720768_100016262050 [0,0,0,0,0,1|2,0,1]=4 4187 B16R1.1694 N#CCCNC(=O)C=CSc1ccccc1 240690a_100000720768_100016262050 [0,0,0,0,0,1|2,0,1]=4 4188 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCF 1458a_100011219626_100000729493 [0,0,0,0,0,1|2,0,0]=3 4189 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCO 1458a_100000695505_100016265936 [0,0,0,0,0,1|2,0,0]=3 4190 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCO 1458a_100011219626_100000210776 [0,0,0,0,0,1|2,0,0]=3 4191 B16R1.1694 O=C(C/C=C/c1ccccc1)COCCO 1458a_100000708028_100016265936 [0,0,0,0,0,1|3,0,0]=4 4192 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 11a_100015189416_100011219626 [0,0,0,0,0,1|2,0,0]=3 4193 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 1626a_100015189416_100011219626 [0,0,0,0,0,1|2,0,0]=3 4194 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 240690a_100015189416_100011219626 [0,0,0,0,0,1|2,0,0]=3 4195 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCO 240690a_100000182051_100011219626 [0,0,0,0,0,1|2,0,0]=3 4196 B16R1.1694 O=C(C/C=C/c1ccccc1)NNCCO 22a_100000210001_100011219626 [0,0,0,0,0,1|3,0,0]=4 4197 B16R1.1694 O=C(C=CSc1ccccc1)CCCCF 1458a_100016262050_100000729493 [0,0,0,0,0,1|2,0,0]=3 4198 B16R1.1694 O=C(C=CSc1ccccc1)CCCCO 1458a_100016262050_100000210776 [0,0,0,0,0,1|2,0,0]=3 4199 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 11a_100015189416_100016262050 [0,0,0,0,0,1|2,0,0]=3 4200 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 1626a_100015189416_100016262050 [0,0,0,0,0,1|2,0,0]=3 4201 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 240690a_100015189416_100016262050 [0,0,0,0,0,1|2,0,0]=3 4202 B16R1.1694 O=C(C=CSc1ccccc1)NCCCO 240690a_100000182051_100016262050 [0,0,0,0,0,1|2,0,0]=3 4203 B16R1.1694 O=C(C=CSc1ccccc1)NNCCO 22a_100000210001_100016262050 [0,0,0,0,0,1|3,0,0]=4 4204 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [2,0,0,0,0,0|1,0,1]=4 4205 B13R1.28 CCCCC=NNc1ccccc1 4a_100015195140_100000210104 [2,0,0,0,0,0|2,0,0]=4 4206 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [2,0,0,0,0,0|0,0,1]=3 4207 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [2,0,0,0,0,0|1,0,1]=4 4208 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [2,0,0,0,0,0|1,0,1]=4 4209 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [2,0,0,0,0,0|1,0,1]=4 4210 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [2,0,0,0,0,0|2,0,0]=4 4211 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [2,0,0,0,0,0|0,0,2]=4 4212 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [2,0,0,0,0,0|0,0,2]=4 4213 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [2,0,0,0,0,0|0,0,2]=4 4214 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [2,0,0,0,0,0|0,0,2]=4 4215 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [2,0,0,0,0,0|1,0,1]=4 4216 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [2,0,0,0,0,0|1,0,1]=4 4217 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [2,0,0,0,0,0|1,0,1]=4 4218 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [2,0,0,0,0,0|1,0,1]=4 4219 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [2,0,0,0,0,0|1,0,1]=4 4220 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [2,0,0,0,0,0|1,0,1]=4 4221 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [2,0,0,0,0,0|1,0,1]=4 4222 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [2,0,0,0,0,0|0,0,1]=3 4223 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [2,0,0,0,0,0|0,0,1]=3 4224 B13R1.28 CCCOC/C=C/c1cccnc1 34a_200102594124_100000210303 [2,0,0,0,0,0|1,0,1]=4 4225 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [2,0,0,0,0,0|0,1,1]=4 4226 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [2,0,0,0,0,0|0,1,1]=4 4227 B13R1.28 CCNN=CC=Cc1ccccc1 4a_100000756455_100000210105 [2,0,0,0,0,0|2,0,0]=4 4228 B13R1.28 CSCOC/C=C/c1ccccc1 34a_100000210256_100011218213 [2,0,0,0,0,0|1,0,1]=4 4229 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [2,0,0,0,0,0|1,0,1]=4 4230 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [2,0,0,0,0,0|1,0,1]=4 4231 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [2,0,0,0,0,0|1,0,1]=4 4232 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [2,0,0,0,0,0|0,0,2]=4 4233 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [2,0,0,0,0,0|0,0,2]=4 4234 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [2,0,0,0,0,0|0,0,2]=4 4235 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [2,0,0,0,0,0|0,0,0]=2 4236 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [2,0,0,0,0,0|1,0,0]=3 4237 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [2,0,0,0,0,0|1,0,0]=3 4238 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [2,0,0,0,0,0|1,0,0]=3 4239 B13R1.42 CCCC(=O)C=Cc1cncnc1 6a_100000749868_100011215381 [2,0,0,0,0,0|2,0,0]=4 4240 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [2,0,0,0,0,0|0,0,2]=4 4241 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [2,0,0,0,0,0|0,0,2]=4 4242 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [2,0,0,0,0,0|1,0,1]=4 4243 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [2,0,0,0,0,0|1,0,1]=4 4244 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [2,0,0,0,0,0|1,0,1]=4 4245 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [2,0,0,0,0,0|1,0,1]=4 4246 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [2,0,0,0,0,0|1,0,1]=4 4247 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 4248 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 4249 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 4250 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [2,0,0,0,0,0|1,0,1]=4 4251 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [2,0,0,0,0,0|2,0,0]=4 4252 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [2,0,0,0,0,0|1,0,0]=3 4253 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [2,0,0,0,0,0|2,0,0]=4 4254 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [2,0,0,0,0,0|2,0,0]=4 4255 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [2,0,0,0,0,0|2,0,0]=4 4256 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [2,0,0,0,0,0|2,0,0]=4 4257 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [2,0,0,0,0,0|2,0,0]=4 4258 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [2,0,0,0,0,0|0,0,0]=2 4259 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [2,0,0,0,0,0|1,0,0]=3 4260 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [2,0,0,0,0,0|1,0,0]=3 4261 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [2,0,0,0,0,0|2,0,0]=4 4262 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [2,0,0,0,0,0|1,0,0]=3 4263 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [2,0,0,0,0,0|2,0,0]=4 4264 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [2,0,0,0,0,0|2,0,0]=4 4265 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [2,0,0,0,0,0|2,0,0]=4 4266 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [2,0,0,0,0,0|2,0,0]=4 4267 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [2,0,0,0,0,0|2,0,0]=4 4268 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [2,0,0,0,0,0|1,0,1]=4 4269 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [2,0,0,0,0,0|1,0,1]=4 4270 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [2,0,0,0,0,0|1,0,1]=4 4271 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [2,0,0,0,0,0|1,0,1]=4 4272 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [2,0,0,0,0,0|1,0,1]=4 4273 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [2,0,0,0,0,0|2,0,0]=4 4274 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [2,0,0,0,0,0|1,0,1]=4 4275 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [2,0,0,0,0,0|1,0,0]=3 4276 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [2,0,0,0,0,0|1,0,0]=3 4277 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [2,0,0,0,0,0|2,0,0]=4 4278 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [2,0,0,0,0,0|2,0,0]=4 4279 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [2,0,0,0,0,0|2,0,0]=4 4280 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [2,0,0,0,0,0|2,0,0]=4 4281 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [2,0,0,0,0,0|2,0,0]=4 4282 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [2,0,0,0,0,0|2,0,0]=4 4283 B15R1.12 CCCCCCC=Cc1ccc(cc1)Br 271570a_200015348155_100000752885 [1,1,0,0,0,0|1,0,1]=4 4284 B15R1.12 CCCCCCC=Cc1ccc(cc1)C 271570a_200015348155_100000186775 [1,1,0,0,0,0|1,0,1]=4 4285 B15R1.12 CCCCCCC=Cc1ccc(cc1)Cl 271570a_200015348155_100000755918 [1,1,0,0,0,0|1,0,1]=4 4286 B15R1.12 CCCCCCC=Cc1ccc(cc1)F 271570a_200015348155_100000211213 [1,1,0,0,0,0|1,0,1]=4 4287 B15R1.12 CCCCCCC=Cc1ccc(cc1)N 271570a_200015348155_100000185761 [1,1,0,0,0,0|1,0,1]=4 4288 B15R1.12 CCCCCCC=Cc1ccc(cc1)O 271570a_200015348155_100000185759 [1,1,0,0,0,0|1,0,1]=4 4289 B15R1.12 CCCCNCC=Cc1ccc(cc1)Br 270004a_100000102301_100016291818 [1,1,0,0,0,0|1,0,1]=4 4290 B15R1.12 CCCCNCC=Cc1ccc(cc1)C 270004a_100000102301_100016257026 [1,1,0,0,0,0|1,0,1]=4 4291 B15R1.12 CCCCNCC=Cc1ccc(cc1)Cl 270004a_100000102301_100102525842 [1,1,0,0,0,0|1,0,1]=4 4292 B15R1.12 CCCCNCC=Cc1ccc(cc1)F 270004a_100000102301_100016272083 [1,1,0,0,0,0|1,0,1]=4 4293 B15R1.12 CCCNN=CC=Cc1ccc(cc1)Br 4a_100000740057_100016291818 [1,1,0,0,0,0|2,0,0]=4 4294 B15R1.12 CCCNN=CC=Cc1ccc(cc1)C 4a_100000740057_100016257026 [1,1,0,0,0,0|2,0,0]=4 4295 B15R1.12 CCCNN=CC=Cc1ccc(cc1)Cl 4a_100000740057_100102525842 [1,1,0,0,0,0|2,0,0]=4 4296 B15R1.12 CCCNN=CC=Cc1ccc(cc1)F 4a_100000740057_100016272083 [1,1,0,0,0,0|2,0,0]=4 4297 B15R1.12 CCCNN=CC=Cc1ccc(cc1)O 4a_100000740057_200011996185 [1,1,0,0,0,0|2,0,0]=4 4298 B15R1.35 BrCCCCOC/C=C/c1ccccc1 34a_100011216708_100016265936 [1,1,0,0,0,0|0,0,1]=3 4299 B15R1.35 C#CCCCOC/C=C/c1ccccc1 34a_100000210256_100000695029 [1,1,0,0,0,0|0,0,2]=4 4300 B15R1.35 C#CCCCOC/C=C/c1ccccc1 34a_100000215630_100016265936 [1,1,0,0,0,0|0,0,2]=4 4301 B15R1.35 C#CCCCOC/C=C/c1ccccc1 7a_100000215630_100016265936 [1,1,0,0,0,0|0,0,2]=4 4302 B15R1.35 C/C=C/CCOC/C=C/c1ccccc1 34a_100016278192_100016265936 [1,1,0,0,0,0|0,0,2]=4 4303 B15R1.35 C=CCCCOC/C=C/c1ccccc1 34a_100000210256_100000757094 [1,1,0,0,0,0|0,0,2]=4 4304 B15R1.35 C=CCCCOC/C=C/c1ccccc1 34a_100000758997_100016265936 [1,1,0,0,0,0|0,0,2]=4 4305 B15R1.35 C=CCCCOC/C=C/c1ccccc1 7a_100000758997_100016265936 [1,1,0,0,0,0|0,0,2]=4 4306 B15R1.35 CC#CCCOC/C=C/c1ccccc1 34a_100000750427_100016265936 [1,1,0,0,0,0|0,0,2]=4 4307 B15R1.35 CC/C=C\COC/C=C/c1ccccc1 34a_100000210256_100103147603 [1,1,0,0,0,0|0,0,2]=4 4308 B15R1.35 CC/C=C\COC/C=C/c1ccccc1 34a_100016268518_100016265936 [1,1,0,0,0,0|0,0,2]=4 4309 B15R1.35 CCC#CCOC/C=C/c1ccccc1 34a_100000032950_100016265936 [1,1,0,0,0,0|0,0,2]=4 4310 B15R1.35 CCC#CCOC/C=C/c1ccccc1 34a_100000210256_100009813939 [1,1,0,0,0,0|0,0,2]=4 4311 B15R1.35 CCCCC=CC=NNc1ccccc1 4a_100015195140_100016268198 [1,1,0,0,0,0|2,0,0]=4 4312 B15R1.35 CCCCCCCC=Cc1ccccc1 271570a_100134823654_100000210277 [1,1,0,0,0,0|1,0,1]=4 4313 B15R1.35 CCCCCNC/C=C/c1ccccc1 2230a_100000209983_100016265936 [1,1,0,0,0,0|1,0,1]=4 4314 B15R1.35 CCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210326 [1,1,0,0,0,0|1,0,1]=4 4315 B15R1.35 CCCCCNC/C=C/c1ccccc1 34a_100020603302_100000718602 [1,1,0,0,0,0|1,0,1]=4 4316 B15R1.35 CCCCCNCC=Cc1ccccc1 270004a_100000209983_100000210105 [1,1,0,0,0,0|1,0,1]=4 4317 B15R1.35 CCCCCOC/C=C/c1ccccc1 34a_100000210253_100016265936 [1,1,0,0,0,0|0,0,1]=3 4318 B15R1.35 CCCCCOC/C=C/c1ccccc1 34a_100000210256_100000718602 [1,1,0,0,0,0|0,0,1]=3 4319 B15R1.35 CCCCCOC/C=C/c1ccccc1 7a_100000210253_100016265936 [1,1,0,0,0,0|0,0,1]=3 4320 B15R1.35 CCCCCOC/C=C/c1cccnc1 34a_200102594124_100000718602 [1,1,0,0,0,0|1,0,1]=4 4321 B15R1.35 CCCCCSC/C=C/c1ccccc1 62a_100000210326_100016265936 [1,1,0,0,0,0|0,1,1]=4 4322 B15R1.35 CCCCCSC/C=C/c1ccccc1 62a_100016265936_100000210326 [1,1,0,0,0,0|0,1,1]=4 4323 B15R1.35 CCCCNN=CC=Cc1ccccc1 4a_100025702795_100000210105 [1,1,0,0,0,0|1,0,0]=3 4324 B15R1.35 CCCCNN=CC=Cc1ccncc1 4a_100025702795_100000703957 [1,1,0,0,0,0|2,0,0]=4 4325 B15R1.35 CCOCCNC/C=C/c1ccccc1 2230a_100020603302_100011215890 [1,1,0,0,0,0|1,0,1]=4 4326 B15R1.35 CCOCCNC/C=C/c1ccccc1 2230a_102516460346_100016265936 [1,1,0,0,0,0|1,0,1]=4 4327 B15R1.35 CCOCCNC/C=C/c1ccccc1 34a_100020603302_100000210147 [1,1,0,0,0,0|1,0,1]=4 4328 B15R1.35 CCOCCNC/C=C/c1ccccc1 34a_100020603566_100000210202 [1,1,0,0,0,0|1,0,1]=4 4329 B15R1.35 CCOCCNC/C=C/c1ccccc1 34a_102516460346_100016265936 [1,1,0,0,0,0|1,0,1]=4 4330 B15R1.35 CCOCCNCC=Cc1ccccc1 270004a_102516460346_100000210105 [1,1,0,0,0,0|1,0,1]=4 4331 B15R1.35 CCOCCOC/C=C/c1ccccc1 34a_100000210136_100016265936 [1,1,0,0,0,0|0,0,1]=3 4332 B15R1.35 CCOCCOC/C=C/c1ccccc1 34a_100000210256_100000210147 [1,1,0,0,0,0|0,0,1]=3 4333 B15R1.35 CCOCCOC/C=C/c1ccccc1 7a_100000210136_100016265936 [1,1,0,0,0,0|0,0,1]=3 4334 B15R1.35 CCOCCOC/C=C/c1cccnc1 34a_200102594124_100000210147 [1,1,0,0,0,0|1,0,1]=4 4335 B15R1.35 CCOCCSC/C=C/c1ccccc1 62a_100000210147_100016265936 [1,1,0,0,0,0|0,1,1]=4 4336 B15R1.35 CCOCCSC/C=C/c1ccccc1 62a_100016265936_100011215890 [1,1,0,0,0,0|0,1,1]=4 4337 B15R1.35 CCSCCNC/C=C/c1ccccc1 2230a_100000106463_100016265936 [1,1,0,0,0,0|1,0,1]=4 4338 B15R1.35 CCSCCNC/C=C/c1ccccc1 2230a_100020603302_100000757381 [1,1,0,0,0,0|1,0,1]=4 4339 B15R1.35 CCSCCNC/C=C/c1ccccc1 34a_100020603302_100000757381 [1,1,0,0,0,0|1,0,1]=4 4340 B15R1.35 CCSCCNCC=Cc1ccccc1 270004a_100000106463_100000210105 [1,1,0,0,0,0|1,0,1]=4 4341 B15R1.35 CCSCCOC/C=C/c1ccccc1 34a_100000210256_100000757381 [1,1,0,0,0,0|0,0,1]=3 4342 B15R1.35 CCSCCOC/C=C/c1ccccc1 34a_100000212035_100016265936 [1,1,0,0,0,0|0,0,1]=3 4343 B15R1.35 CCSCCOC/C=C/c1ccccc1 7a_100000212035_100016265936 [1,1,0,0,0,0|0,0,1]=3 4344 B15R1.35 CCSCCOC/C=C/c1cccnc1 34a_200102594124_100000757381 [1,1,0,0,0,0|1,0,1]=4 4345 B15R1.35 CCSCCSC/C=C/c1ccccc1 62a_100000757381_100016265936 [1,1,0,0,0,0|0,1,1]=4 4346 B15R1.35 CCSCCSC/C=C/c1ccccc1 62a_100016265936_100000757381 [1,1,0,0,0,0|0,1,1]=4 4347 B15R1.35 CNCCCOC/C=C/c1ccccc1 34a_100000213112_100016265936 [1,1,0,0,0,0|0,0,1]=3 4348 B15R1.35 COCCCNC/C=C/c1ccccc1 2230a_100020603302_100000740836 [1,1,0,0,0,0|1,0,1]=4 4349 B15R1.35 COCCCNC/C=C/c1ccccc1 34a_100020603302_100000740836 [1,1,0,0,0,0|1,0,1]=4 4350 B15R1.35 COCCCNC/C=C/c1ccccc1 34a_100020603576_200000210301 [1,1,0,0,0,0|1,0,1]=4 4351 B15R1.35 COCCCNC/C=C/c1ccccc1 34a_100150723488_100016265936 [1,1,0,0,0,0|1,0,1]=4 4352 B15R1.35 COCCCNCC=Cc1ccccc1 270004a_100150723488_100000210105 [1,1,0,0,0,0|1,0,1]=4 4353 B15R1.35 COCCCOC/C=C/c1ccccc1 34a_100000210256_100000740836 [1,1,0,0,0,0|0,0,1]=3 4354 B15R1.35 COCCCOC/C=C/c1ccccc1 34a_100000740835_100016265936 [1,1,0,0,0,0|0,0,1]=3 4355 B15R1.35 COCCCOC/C=C/c1cccnc1 34a_200102594124_100000740836 [1,1,0,0,0,0|1,0,1]=4 4356 B15R1.35 COCCCSC/C=C/c1ccccc1 62a_100000709357_100016265936 [1,1,0,0,0,0|0,1,1]=4 4357 B15R1.35 COCCCSC/C=C/c1ccccc1 62a_100016265936_100000709357 [1,1,0,0,0,0|0,1,1]=4 4358 B15R1.35 CSCCCNC/C=C/c1ccccc1 2230a_100000749238_100016265936 [1,1,0,0,0,0|1,0,1]=4 4359 B15R1.35 CSCCCNCC=Cc1ccccc1 270004a_100000749238_100000210105 [1,1,0,0,0,0|1,0,1]=4 4360 B15R1.35 CSCCCOC/C=C/c1ccccc1 34a_100000690336_100016265936 [1,1,0,0,0,0|0,0,1]=3 4361 B15R1.35 CSCCCOC/C=C/c1ccccc1 7a_100000690336_100016265936 [1,1,0,0,0,0|0,0,1]=3 4362 B15R1.35 ClCCCCOC/C=C/c1ccccc1 34a_100000210776_100016265936 [1,1,0,0,0,0|0,0,1]=3 4363 B15R1.35 ClCCCCOC/C=C/c1ccccc1 7a_100000210776_100016265936 [1,1,0,0,0,0|0,0,1]=3 4364 B15R1.35 FCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000729493 [1,1,0,0,0,0|1,0,1]=4 4365 B15R1.35 FCCCCNC/C=C/c1ccccc1 34a_100020603302_100000729493 [1,1,0,0,0,0|1,0,1]=4 4366 B15R1.35 FCCCCOC/C=C/c1ccccc1 34a_100000210256_100000729493 [1,1,0,0,0,0|0,0,1]=3 4367 B15R1.35 FCCCCOC/C=C/c1ccccc1 34a_100011995726_100016265936 [1,1,0,0,0,0|0,0,1]=3 4368 B15R1.35 FCCCCOC/C=C/c1ccccc1 7a_100011995726_100016265936 [1,1,0,0,0,0|0,0,1]=3 4369 B15R1.35 FCCCCOC/C=C/c1cccnc1 34a_200102594124_100000729493 [1,1,0,0,0,0|1,0,1]=4 4370 B15R1.35 FCCCCSC/C=C/c1ccccc1 62a_100000729493_100016265936 [1,1,0,0,0,0|0,1,1]=4 4371 B15R1.35 FCCCCSC/C=C/c1ccccc1 62a_100016265936_100000729493 [1,1,0,0,0,0|0,1,1]=4 4372 B15R1.35 ICCCCOC/C=C/c1ccccc1 34a_200012148704_100016265936 [1,1,0,0,0,0|0,0,1]=3 4373 B15R1.35 NCCCCOC/C=C/c1ccccc1 34a_100000750430_100016265936 [1,1,0,0,0,0|0,0,1]=3 4374 B15R1.35 OCCCCNC/C=C/c1ccccc1 2230a_100000750430_100016265936 [1,1,0,0,0,0|1,0,1]=4 4375 B15R1.35 OCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210776 [1,1,0,0,0,0|1,0,1]=4 4376 B15R1.35 OCCCCNC/C=C/c1ccccc1 34a_100000750430_100016265936 [1,1,0,0,0,0|1,0,1]=4 4377 B15R1.35 OCCCCNC/C=C/c1ccccc1 34a_100020603302_100011216708 [1,1,0,0,0,0|1,0,1]=4 4378 B15R1.35 OCCCCNCC=Cc1ccccc1 270004a_100000750430_100000210105 [1,1,0,0,0,0|1,0,1]=4 4379 B15R1.35 OCCCCOC/C=C/c1ccccc1 34a_100000210256_100011216708 [1,1,0,0,0,0|0,0,1]=3 4380 B15R1.35 OCCCCOC/C=C/c1cccnc1 34a_200102594124_100011216708 [1,1,0,0,0,0|1,0,1]=4 4381 B15R1.35 OCCCCSC/C=C/c1ccccc1 62a_100000210776_100016265936 [1,1,0,0,0,0|0,1,1]=4 4382 B15R1.35 OCCCCSC/C=C/c1ccccc1 62a_100016265936_100000210776 [1,1,0,0,0,0|0,1,1]=4 4383 B15R1.35 [13CH3]OCCCNC/C=C/c1ccccc1 34a_100020603576_200025704644 [1,1,0,0,0,0|1,0,1]=4 4384 B15R1.83 C/C(=C\c1ccccc1)/COCCCF 34a_200025717232_100011934791 [1,1,0,0,0,0|1,0,1]=4 4385 B15R1.83 C/C(=C\c1ccccc1)/COCCCF 7a_200025717232_100011934791 [1,1,0,0,0,0|1,0,1]=4 4386 B15R1.83 C/C(=C\c1ccccc1)/COCCCO 34a_200025717232_100000230001 [1,1,0,0,0,0|1,0,1]=4 4387 B15R1.83 C/C(=C\c1ccccc1)/COCCCO 7a_200025717232_100011215043 [1,1,0,0,0,0|1,0,1]=4 4388 B15R1.83 CCCCC=CC(=O)Cc1ccccc1 1458a_100016266645_100015291786 [1,1,0,0,0,0|1,0,1]=4 4389 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 11a_100000106764_100016266645 [1,1,0,0,0,0|2,0,0]=4 4390 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100016266645 [1,1,0,0,0,0|2,0,0]=4 4391 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 22a_100000106764_100016266645 [1,1,0,0,0,0|2,0,0]=4 4392 B15R1.83 CCCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210210 [1,1,0,0,0,0|0,0,1]=3 4393 B15R1.83 CCCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210211 [1,1,0,0,0,0|0,0,1]=3 4394 B15R1.83 CCCCOCC(=O)Cc1ccccc1 1458a_100000757543_100015291786 [1,1,0,0,0,0|0,0,2]=4 4395 B15R1.83 CCCCOCC(=O)Cc1ccccc1 7a_100000210227_100000233483 [1,1,0,0,0,0|0,0,2]=4 4396 B15R1.83 CCCCOCC(=O)Nc1ccccc1 11a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 4397 B15R1.83 CCCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 4398 B15R1.83 CCCCOCC(=O)Nc1ccccc1 22a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 4399 B15R1.83 CCCCOCC(=O)Nc1ccccc1 34a_100000210227_100000182850 [1,1,0,0,0,0|1,0,1]=4 4400 B15R1.83 CCCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210210 [1,1,0,0,0,0|1,0,1]=4 4401 B15R1.83 CCCCOCC(=O)Nc1ccccc1 527a_100000106764_100000757543 [1,1,0,0,0,0|1,0,1]=4 4402 B15R1.83 CCCCOCC(=O)Nc1ccccc1 7a_100000210227_100000182850 [1,1,0,0,0,0|1,0,1]=4 4403 B15R1.83 CCCCOCC(=O)Oc1ccccc1 34a_100000210227_100009813826 [1,1,0,0,0,0|1,0,1]=4 4404 B15R1.83 CCCCOCC(=O)Oc1ccccc1 7a_100000210227_100009813826 [1,1,0,0,0,0|1,0,1]=4 4405 B15R1.83 CCCNN=C/C(=C/c1ccccc1)/Br 4a_100000740057_100016988036 [1,1,0,0,0,0|2,0,0]=4 4406 B15R1.83 CCCNN=C/C(=C/c1ccccc1)/C 4a_100000740057_100016997181 [1,1,0,0,0,0|2,0,0]=4 4407 B15R1.83 CCCNN=C/C(=C\c1ccccc1)/Cl 4a_100000740057_200014065628 [1,1,0,0,0,0|2,0,0]=4 4408 B15R1.83 COCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011201679 [1,1,0,0,0,0|1,0,1]=4 4409 B15R1.83 COCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000233755 [1,1,0,0,0,0|1,0,1]=4 4410 B15R1.83 CSCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000212216 [1,1,0,0,0,0|1,0,1]=4 4411 B15R1.83 CSCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000212216 [1,1,0,0,0,0|1,0,1]=4 4412 B15R1.106 CCCCCCC=Cc1cccc(c1)Br 271570a_200015348155_100000691529 [1,1,0,0,0,0|1,0,1]=4 4413 B15R1.106 CCCCCCC=Cc1cccc(c1)C 271570a_200015348155_100011215228 [1,1,0,0,0,0|1,0,1]=4 4414 B15R1.106 CCCCCCC=Cc1cccc(c1)Cl 271570a_200015348155_100000699651 [1,1,0,0,0,0|1,0,1]=4 4415 B15R1.106 CCCCCCC=Cc1cccc(c1)F 271570a_200015348155_100000685547 [1,1,0,0,0,0|1,0,1]=4 4416 B15R1.106 CCCCCCC=Cc1cccc(c1)N 271570a_200015348155_100000210019 [1,1,0,0,0,0|1,0,1]=4 4417 B15R1.106 CCCCCCC=Cc1cccc(c1)O 271570a_200015348155_100000211634 [1,1,0,0,0,0|1,0,1]=4 4418 B15R1.106 CCCCCCC=Cc1cccc(c1)[S] 271570a_200015348155_114929384022 [1,1,0,0,0,0|1,0,1]=4 4419 B15R1.106 CCCCNCC=Cc1cccc(c1)C 270004a_100000102301_100102525846 [1,1,0,0,0,0|1,0,1]=4 4420 B15R1.106 CCCCNCC=Cc1cccc(c1)Cl 270004a_100000102301_100016268971 [1,1,0,0,0,0|1,0,1]=4 4421 B15R1.106 CCCNN=CC=Cc1cccc(c1)C 4a_100000740057_100102525846 [1,1,0,0,0,0|2,0,0]=4 4422 B15R1.106 CCCNN=CC=Cc1cccc(c1)Cl 4a_100000740057_100016268971 [1,1,0,0,0,0|2,0,0]=4 4423 B15R1.138 CCCCOCCC(=O)c1ccccc1 1458a_100000185807_100000743108 [1,1,0,0,0,0|0,0,2]=4 4424 B15R1.138 CCCCOCCC(=O)c1ccccc1 7a_100000210227_100000750707 [1,1,0,0,0,0|0,0,2]=4 4425 B15R1.138 CCCCOCOC(=O)c1ccccc1 7a_100000210227_100000073877 [1,1,0,0,0,0|1,0,1]=4 4426 B15R1.138 CCCNN=CC=C(C)c1ccccc1 4a_100000740057_200043867958 [1,1,0,0,0,0|2,0,0]=4 4427 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100000210183_100016265936 [1,1,0,0,0,0|1,0,1]=4 4428 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210211 [1,1,0,0,0,0|1,0,1]=4 4429 B15R1.157 CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210211 [1,1,0,0,0,0|2,0,0]=4 4430 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 2230a_100000207549_100016265936 [1,1,0,0,0,0|1,0,1]=4 4431 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 2230a_100020603575_200000210301 [1,1,0,0,0,0|1,0,1]=4 4432 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 269982a_100000207549_100016265936 [1,1,0,0,0,0|1,0,1]=4 4433 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 269982a_100020603575_200000210301 [1,1,0,0,0,0|1,0,1]=4 4434 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 34a_100020603575_200000210301 [1,1,0,0,0,0|1,0,1]=4 4435 B15R1.157 CCCCN(C)CC=Cc1ccccc1 270004a_100000207549_100000210105 [1,1,0,0,0,0|1,0,1]=4 4436 B15R1.157 CCCCN([13CH3])C/C=C/c1ccccc1 2230a_100020603575_200025704644 [1,1,0,0,0,0|1,0,1]=4 4437 B15R1.157 CCCCN([13CH3])C/C=C/c1ccccc1 269982a_100020603575_200025704644 [1,1,0,0,0,0|1,0,1]=4 4438 B15R1.157 CCCCN([13CH3])C/C=C/c1ccccc1 34a_100020603575_200025704644 [1,1,0,0,0,0|1,0,1]=4 4439 B15R1.220 CCCCCCC=Cc1ccccc1Br 271570a_200015348155_100000695589 [1,1,0,0,0,0|1,0,1]=4 4440 B15R1.220 CCCCCCC=Cc1ccccc1C 271570a_200015348155_100000210755 [1,1,0,0,0,0|1,0,1]=4 4441 B15R1.220 CCCCCCC=Cc1ccccc1Cl 271570a_200015348155_100000764095 [1,1,0,0,0,0|1,0,1]=4 4442 B15R1.220 CCCCCCC=Cc1ccccc1F 271570a_200015348155_100011215700 [1,1,0,0,0,0|1,0,1]=4 4443 B15R1.220 CCCCCCC=Cc1ccccc1N 271570a_200015348155_100000210017 [1,1,0,0,0,0|1,0,1]=4 4444 B15R1.220 CCCCCCC=Cc1ccccc1O 271570a_200015348155_100000739446 [1,1,0,0,0,0|1,0,1]=4 4445 B15R1.220 CCCCNCC=Cc1ccccc1Br 270004a_100000102301_200016268969 [1,1,0,0,0,0|1,0,1]=4 4446 B15R1.220 CCCCNCC=Cc1ccccc1Cl 270004a_100000102301_200102525841 [1,1,0,0,0,0|1,0,1]=4 4447 B15R1.220 CCCCNCC=Cc1ccccc1F 270004a_100000102301_200102525844 [1,1,0,0,0,0|1,0,1]=4 4448 B15R1.220 CCCNN=CC=Cc1ccccc1Br 4a_100000740057_200016268969 [1,1,0,0,0,0|2,0,0]=4 4449 B15R1.220 CCCNN=CC=Cc1ccccc1Cl 4a_100000740057_200102525841 [1,1,0,0,0,0|2,0,0]=4 4450 B15R1.220 CCCNN=CC=Cc1ccccc1F 4a_100000740057_200102525844 [1,1,0,0,0,0|2,0,0]=4 4451 B15R1.504 C=C(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000730704 [1,1,0,0,0,0|0,0,2]=4 4452 B15R1.504 C=C(C)CCOC/C=C/c1ccccc1 34a_100000764851_100016265936 [1,1,0,0,0,0|0,0,2]=4 4453 B15R1.504 CC(=O)CCOC/C=C/c1ccccc1 34a_100000759926_100016265936 [1,1,0,0,0,0|0,0,2]=4 4454 B15R1.504 CC(=O)CCOC/C=C/c1ccccc1 7a_100000759926_100016265936 [1,1,0,0,0,0|0,0,2]=4 4455 B15R1.504 CC(Br)CCOC/C=C/c1ccccc1 34a_100009893172_100016265936 [1,1,0,0,0,0|0,0,1]=3 4456 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 2230a_100020603302_100000210312 [1,1,0,0,0,0|1,0,1]=4 4457 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 34a_100020603302_100000210312 [1,1,0,0,0,0|1,0,1]=4 4458 B15R1.504 CC(C)CCNCC=Cc1ccccc1 270004a_100000210545_100000210105 [1,1,0,0,0,0|1,0,1]=4 4459 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210254_100016265936 [1,1,0,0,0,0|0,0,1]=3 4460 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000210312 [1,1,0,0,0,0|0,0,1]=3 4461 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 7a_100000210254_100016265936 [1,1,0,0,0,0|0,0,1]=3 4462 B15R1.504 CC(C)CCOC/C=C/c1cccnc1 34a_200102594124_100000210312 [1,1,0,0,0,0|1,0,1]=4 4463 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100000210312_100016265936 [1,1,0,0,0,0|0,1,1]=4 4464 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100016265936_100000210312 [1,1,0,0,0,0|0,1,1]=4 4465 B15R1.504 CC(C)OCOC/C=C/c1ccccc1 34a_100000210256_100000709892 [1,1,0,0,0,0|1,0,1]=4 4466 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 2230a_100020603302_100012276601 [1,1,0,0,0,0|1,0,1]=4 4467 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 2230a_200000755665_100016265936 [1,1,0,0,0,0|1,0,1]=4 4468 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 34a_100020603302_100012276601 [1,1,0,0,0,0|1,0,1]=4 4469 B15R1.504 CC(O)CCNCC=Cc1ccccc1 270004a_200000755665_100000210105 [1,1,0,0,0,0|1,0,1]=4 4470 B15R1.504 CC(O)CCOC/C=C/c1ccccc1 34a_100000210256_100012276601 [1,1,0,0,0,0|0,0,1]=3 4471 B15R1.504 CC(O)CCOC/C=C/c1cccnc1 34a_200102594124_100012276601 [1,1,0,0,0,0|1,0,1]=4 4472 B15R1.504 CC(O)CCSC/C=C/c1ccccc1 62a_100012276601_100016265936 [1,1,0,0,0,0|0,1,1]=4 4473 B15R1.504 CC(O)CCSC/C=C/c1ccccc1 62a_100016265936_100012276601 [1,1,0,0,0,0|0,1,1]=4 4474 B15R1.504 CC(O)CNN=CC=Cc1ccccc1 4a_200000730056_100000210105 [1,1,0,0,0,0|2,0,0]=4 4475 B15R1.504 C[C@@H](N)CCOC/C=C/c1ccccc1 34a_100000706166_100016265936 [1,1,0,0,0,0|0,0,1]=3 4476 B15R1.504 FC(F)CCOC/C=C/c1ccccc1 34a_100103093639_100016265936 [1,1,0,0,0,0|1,0,1]=4 4477 B15R1.778 CC(CCBr)OC/C=C/c1ccccc1 34a_100012276601_100016265936 [1,1,0,0,0,0|1,0,1]=4 4478 B15R1.778 CC(CCO)OC/C=C/c1ccccc1 34a_100000210256_100009893172 [1,1,0,0,0,0|1,0,1]=4 4479 B15R1.778 CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210303 [1,1,0,0,0,0|1,0,1]=4 4480 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 2230a_100000741246_100016265936 [1,1,0,0,0,0|1,0,1]=4 4481 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000766640 [1,1,0,0,0,0|1,0,1]=4 4482 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 270004a_100020603302_100000211909 [1,1,0,0,0,0|1,0,1]=4 4483 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 34a_100020603302_100000766640 [1,1,0,0,0,0|1,0,1]=4 4484 B15R1.778 CCCC(C)NCC=Cc1ccccc1 270004a_100000741246_100000210105 [1,1,0,0,0,0|1,0,1]=4 4485 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 34a_100000210256_100000766640 [1,1,0,0,0,0|0,0,1]=3 4486 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 34a_100000764384_100016265936 [1,1,0,0,0,0|0,0,1]=3 4487 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 7a_100000764384_100016265936 [1,1,0,0,0,0|0,0,1]=3 4488 B15R1.778 CCCC(C)OC/C=C/c1cccnc1 34a_200102594124_100000766640 [1,1,0,0,0,0|1,0,1]=4 4489 B15R1.778 CCCC(C)SC/C=C/c1ccccc1 62a_100000766640_100016265936 [1,1,0,0,0,0|0,1,1]=4 4490 B15R1.778 CCCC(C)SC/C=C/c1ccccc1 62a_100016265936_100000766640 [1,1,0,0,0,0|0,1,1]=4 4491 B15R1.778 COCC(C)OC/C=C/c1ccccc1 34a_100000210256_100000765312 [1,1,0,0,0,0|1,0,1]=4 4492 B15R1.778 COC[C@@H](C)OC/C=C/c1ccccc1 34a_100011934205_100016265936 [1,1,0,0,0,0|1,0,1]=4 4493 B15R1.962 CC(CN)COC/C=C/c1ccccc1 34a_100000744482_100016265936 [1,1,0,0,0,0|1,0,1]=4 4494 B15R1.962 CCC(=O)COC/C=C/c1ccccc1 34a_100000725409_100016265936 [1,1,0,0,0,0|0,0,2]=4 4495 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020588543_100016265936 [1,1,0,0,0,0|1,0,1]=4 4496 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000748023 [1,1,0,0,0,0|1,0,1]=4 4497 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000243153 [1,1,0,0,0,0|1,0,1]=4 4498 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000748023 [1,1,0,0,0,0|1,0,1]=4 4499 B15R1.962 CCC(C)CNCC=Cc1ccccc1 270004a_100020588543_100000210105 [1,1,0,0,0,0|1,0,1]=4 4500 B15R1.962 CCC(C)COC/C=C/c1ccccc1 34a_100000210256_100000748023 [1,1,0,0,0,0|0,0,1]=3 4501 B15R1.962 CCC(C)COC/C=C/c1cccnc1 34a_200102594124_100000748023 [1,1,0,0,0,0|1,0,1]=4 4502 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100000748023_100016265936 [1,1,0,0,0,0|0,1,1]=4 4503 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000748023 [1,1,0,0,0,0|0,1,1]=4 4504 B15R1.962 CCC(C)NN=CC=Cc1ccccc1 4a_100000718999_100000210105 [1,1,0,0,0,0|2,0,0]=4 4505 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 2230a_100011218483_100016265936 [1,1,0,0,0,0|1,0,1]=4 4506 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218378 [1,1,0,0,0,0|1,0,1]=4 4507 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218378 [1,1,0,0,0,0|1,0,1]=4 4508 B15R1.962 CCC(O)CNCC=Cc1ccccc1 270004a_100011218483_100000210105 [1,1,0,0,0,0|1,0,1]=4 4509 B15R1.962 CCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218378 [1,1,0,0,0,0|0,0,1]=3 4510 B15R1.962 CCC(O)COC/C=C/c1cccnc1 34a_200102594124_100011218378 [1,1,0,0,0,0|1,0,1]=4 4511 B15R1.962 CCC(O)CSC/C=C/c1ccccc1 62a_100011218378_100016265936 [1,1,0,0,0,0|0,1,1]=4 4512 B15R1.962 CCC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218378 [1,1,0,0,0,0|0,1,1]=4 4513 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 2230a_100020603302_100009816398 [1,1,0,0,0,0|1,0,1]=4 4514 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 34a_100020603302_100009816398 [1,1,0,0,0,0|1,0,1]=4 4515 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 34a_100000210256_100009816398 [1,1,0,0,0,0|0,0,1]=3 4516 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 7a_100009816381_100016265936 [1,1,0,0,0,0|0,0,1]=3 4517 B15R1.962 CC[C@H](C)COC/C=C/c1cccnc1 34a_200102594124_100009816398 [1,1,0,0,0,0|1,0,1]=4 4518 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100009816398_100016265936 [1,1,0,0,0,0|0,1,1]=4 4519 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100016265936_100009816398 [1,1,0,0,0,0|0,1,1]=4 4520 B15R1.962 COC(C)COC/C=C/c1ccccc1 34a_100000690652_100016265936 [1,1,0,0,0,0|1,0,1]=4 4521 B15R1.962 C[C@@H](CO)COC/C=C/c1ccccc1 34a_100000210256_100000059175 [1,1,0,0,0,0|1,0,1]=4 4522 B15R1.962 ClCC(Cl)COC/C=C/c1ccccc1 34a_100000033668_100016265936 [1,1,0,0,0,0|1,0,1]=4 4523 B15R1.962 NC[C@@H](F)COC/C=C/c1ccccc1 34a_100015665980_100016265936 [1,1,0,0,0,0|1,0,1]=4 4524 B15R1.962 OCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011219619 [1,1,0,0,0,0|1,0,1]=4 4525 B15R1.962 OC[C@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009815848 [1,1,0,0,0,0|1,0,1]=4 4526 B15R1.962 O[C@@H](CF)COC/C=C/c1ccccc1 34a_100000210256_100015614560 [1,1,0,0,0,0|1,0,1]=4 4527 B15R1.115 C#CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000753159 [1,1,0,0,0,0|0,0,2]=4 4528 B15R1.115 C/C=C/CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100102629194 [1,1,0,0,0,0|0,0,2]=4 4529 B15R1.115 C=CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000754431 [1,1,0,0,0,0|0,0,2]=4 4530 B15R1.115 CC#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000748600 [1,1,0,0,0,0|0,0,2]=4 4531 B15R1.115 CC(=CC(=O)CCC#N)c1ccccc1 1458a_100000743005_100011215226 [1,1,0,0,0,0|1,0,1]=4 4532 B15R1.115 CC(=CC(=O)CCCF)c1ccccc1 1458a_100000743005_100011934791 [1,1,0,0,0,0|1,0,0]=3 4533 B15R1.115 CC(=CC(=O)CCCO)c1ccccc1 1458a_100000743005_100011215043 [1,1,0,0,0,0|1,0,0]=3 4534 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 11a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 4535 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 4536 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 4537 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 527a_100000724931_100000743005 [1,1,0,0,0,0|2,0,0]=4 4538 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000743005 [1,1,0,0,0,0|2,0,0]=4 4539 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 527a_100000210304_100000743005 [1,1,0,0,0,0|2,0,0]=4 4540 B15R1.115 CC=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000070051 [1,1,0,0,0,0|0,0,2]=4 4541 B15R1.115 CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210211 [1,1,0,0,0,0|0,0,0]=2 4542 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [1,1,0,0,0,0|0,0,1]=3 4543 B15R1.115 CCCCC(=O)CC(=O)c1ccccn1 1458a_100000210183_100000027445 [1,1,0,0,0,0|1,0,1]=4 4544 B15R1.115 CCCCC(=O)CC(=O)c1cccnc1 1458a_100000210183_100015188593 [1,1,0,0,0,0|1,0,1]=4 4545 B15R1.115 CCCCC(=O)CC(=O)c1ccncc1 1458a_100000210183_100000027454 [1,1,0,0,0,0|1,0,1]=4 4546 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210211 [1,1,0,0,0,0|0,0,2]=4 4547 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000210183_100000756946 [1,1,0,0,0,0|0,0,2]=4 4548 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000210183_100000185958 [1,1,0,0,0,0|0,0,2]=4 4549 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210211 [1,1,0,0,0,0|0,0,2]=4 4550 B15R1.115 CCCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210211 [1,1,0,0,0,0|1,0,1]=4 4551 B15R1.115 CCCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210183_100011933945 [1,1,0,0,0,0|0,0,2]=4 4552 B15R1.115 CCCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210183 [1,1,0,0,0,0|1,0,1]=4 4553 B15R1.115 CCCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210183 [1,1,0,0,0,0|1,0,1]=4 4554 B15R1.115 CCCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210183 [1,1,0,0,0,0|1,0,1]=4 4555 B15R1.115 CCCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210183 [1,1,0,0,0,0|1,0,1]=4 4556 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 11a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 4557 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 1626a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 4558 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 240690a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 4559 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 527a_100020643023_100000743005 [1,1,0,0,0,0|1,0,0]=3 4560 B15R1.115 CCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183358 [1,1,0,0,0,0|1,0,1]=4 4561 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [1,1,0,0,0,0|0,0,1]=3 4562 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200011215008 [1,1,0,0,0,0|1,0,1]=4 4563 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200011215008 [1,1,0,0,0,0|1,0,1]=4 4564 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200011215008 [1,1,0,0,0,0|1,0,1]=4 4565 B15R1.115 CCNNC(=O)C=C(C)c1ccccc1 22a_100000756455_100000743005 [1,1,0,0,0,0|2,0,0]=4 4566 B15R1.115 CCOCC(=O)CC(=O)c1ccccc1 1458a_100000211967_100000211460 [1,1,0,0,0,0|1,0,1]=4 4567 B15R1.115 CCSCC(=O)CC(=O)c1ccccc1 1458a_100000230394_100000211460 [1,1,0,0,0,0|1,0,1]=4 4568 B15R1.115 CCSCC(=O)NC(=O)c1ccccc1 62a_100000210202_100000010347 [1,1,0,0,0,0|2,0,0]=4 4569 B15R1.115 COCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000233755 [1,1,0,0,0,0|1,0,0]=3 4570 B15R1.115 COCCC(=O)CC(=O)c1ccccc1 1458a_100000749529_100000211460 [1,1,0,0,0,0|1,0,1]=4 4571 B15R1.115 CSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000751147 [1,1,0,0,0,0|1,0,0]=3 4572 B15R1.115 CSCCC(=O)CC(=O)c1ccccc1 1458a_100000174002_100000211460 [1,1,0,0,0,0|1,0,1]=4 4573 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000753159 [1,1,0,0,0,0|0,0,2]=4 4574 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000753159 [1,1,0,0,0,0|0,0,2]=4 4575 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000753159 [1,1,0,0,0,0|0,0,2]=4 4576 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000753159 [1,1,0,0,0,0|0,0,2]=4 4577 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000753159 [1,1,0,0,0,0|0,0,2]=4 4578 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100102629194 [1,1,0,0,0,0|0,0,2]=4 4579 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100102629194 [1,1,0,0,0,0|0,0,2]=4 4580 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100102629194 [1,1,0,0,0,0|0,0,2]=4 4581 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100102629194 [1,1,0,0,0,0|0,0,2]=4 4582 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100102629194 [1,1,0,0,0,0|0,0,2]=4 4583 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000754431 [1,1,0,0,0,0|0,0,2]=4 4584 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000762624 [1,1,0,0,0,0|0,0,2]=4 4585 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000754431 [1,1,0,0,0,0|0,0,2]=4 4586 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000754431 [1,1,0,0,0,0|0,0,2]=4 4587 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000754431 [1,1,0,0,0,0|0,0,2]=4 4588 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000762624 [1,1,0,0,0,0|0,0,2]=4 4589 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000754431 [1,1,0,0,0,0|0,0,2]=4 4590 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000762624 [1,1,0,0,0,0|0,0,2]=4 4591 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000748600 [1,1,0,0,0,0|0,0,2]=4 4592 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000748600 [1,1,0,0,0,0|0,0,2]=4 4593 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000748600 [1,1,0,0,0,0|0,0,2]=4 4594 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000748600 [1,1,0,0,0,0|0,0,2]=4 4595 B15R1.127 CC#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000748600 [1,1,0,0,0,0|0,0,2]=4 4596 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000070051 [1,1,0,0,0,0|0,0,2]=4 4597 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000070051 [1,1,0,0,0,0|0,0,2]=4 4598 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000070051 [1,1,0,0,0,0|0,0,2]=4 4599 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000070051 [1,1,0,0,0,0|0,0,2]=4 4600 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000070051 [1,1,0,0,0,0|0,0,2]=4 4601 B15R1.127 CCCCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210211 [1,1,0,0,0,0|0,0,2]=4 4602 B15R1.127 CCCCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210211 [1,1,0,0,0,0|0,0,2]=4 4603 B15R1.127 CCCCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210211 [1,1,0,0,0,0|0,0,2]=4 4604 B15R1.127 CCCCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210211 [1,1,0,0,0,0|0,0,2]=4 4605 B15R1.127 CCCCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210211 [1,1,0,0,0,0|0,0,2]=4 4606 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210211 [1,1,0,0,0,0|0,0,0]=2 4607 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000032102 [1,1,0,0,0,0|0,0,0]=2 4608 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210211 [1,1,0,0,0,0|0,0,0]=2 4609 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210211 [1,1,0,0,0,0|0,0,0]=2 4610 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210211 [1,1,0,0,0,0|0,0,0]=2 4611 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000032102 [1,1,0,0,0,0|0,0,0]=2 4612 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210211 [1,1,0,0,0,0|0,0,0]=2 4613 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000032102 [1,1,0,0,0,0|0,0,0]=2 4614 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000032102 [1,1,0,0,0,0|1,0,0]=3 4615 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000032102 [1,1,0,0,0,0|1,0,0]=3 4616 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000032102 [1,1,0,0,0,0|1,0,0]=3 4617 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000032102 [1,1,0,0,0,0|1,0,0]=3 4618 B15R1.127 CCCCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100000032102 [1,1,0,0,0,0|2,0,0]=4 4619 B15R1.127 CCCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210211 [1,1,0,0,0,0|0,0,2]=4 4620 B15R1.127 CCCCC(=O)CCc1cccc(c1)Br 1458a_100000210183_100011740638 [1,1,0,0,0,0|0,0,2]=4 4621 B15R1.127 CCCCC(=O)CCc1cccc(c1)C 1458a_100000210183_100011713685 [1,1,0,0,0,0|0,0,2]=4 4622 B15R1.127 CCCCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210211 [1,1,0,0,0,0|0,0,2]=4 4623 B15R1.127 CCCCC(=O)CCc1cccc(c1)Cl 1458a_100000210183_100011713710 [1,1,0,0,0,0|0,0,2]=4 4624 B15R1.127 CCCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210211 [1,1,0,0,0,0|0,0,2]=4 4625 B15R1.127 CCCCC(=O)CCc1cccc(c1)F 1458a_100000210183_100011217235 [1,1,0,0,0,0|0,0,2]=4 4626 B15R1.127 CCCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210211 [1,1,0,0,0,0|0,0,2]=4 4627 B15R1.127 CCCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210211 [1,1,0,0,0,0|0,0,2]=4 4628 B15R1.127 CCCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210211 [1,1,0,0,0,0|0,0,2]=4 4629 B15R1.127 CCCCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210211 [1,1,0,0,0,0|1,0,1]=4 4630 B15R1.127 CCCCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210211 [1,1,0,0,0,0|1,0,1]=4 4631 B15R1.127 CCCCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210211 [1,1,0,0,0,0|1,0,1]=4 4632 B15R1.127 CCCCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210211 [1,1,0,0,0,0|1,0,1]=4 4633 B15R1.127 CCCCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210211 [1,1,0,0,0,0|1,0,1]=4 4634 B15R1.127 CCCCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210183 [1,1,0,0,0,0|1,0,1]=4 4635 B15R1.127 CCCCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210183 [1,1,0,0,0,0|1,0,1]=4 4636 B15R1.127 CCCCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210183 [1,1,0,0,0,0|1,0,1]=4 4637 B15R1.127 CCCCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210183 [1,1,0,0,0,0|1,0,1]=4 4638 B15R1.127 CCCCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210183 [1,1,0,0,0,0|1,0,1]=4 4639 B15R1.127 CCCCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210183 [1,1,0,0,0,0|1,0,1]=4 4640 B15R1.127 CCCCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210183 [1,1,0,0,0,0|1,0,1]=4 4641 B15R1.127 CCCCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210183 [1,1,0,0,0,0|1,0,1]=4 4642 B15R1.127 CCCCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210183 [1,1,0,0,0,0|1,0,1]=4 4643 B15R1.127 CCCCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210183 [1,1,0,0,0,0|1,0,1]=4 4644 B15R1.127 CCCCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210183 [1,1,0,0,0,0|1,0,1]=4 4645 B15R1.127 CCCCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210183 [1,1,0,0,0,0|1,0,1]=4 4646 B15R1.127 CCCCC(=O)NCc1cccc(c1)F 11a_100000174948_100000210183 [1,1,0,0,0,0|1,0,1]=4 4647 B15R1.127 CCCCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210183 [1,1,0,0,0,0|1,0,1]=4 4648 B15R1.127 CCCCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210183 [1,1,0,0,0,0|1,0,1]=4 4649 B15R1.127 CCCCC(=O)NCc1cccc(c1)F 527a_100000174948_100000210183 [1,1,0,0,0,0|1,0,1]=4 4650 B15R1.127 CCCCC(=O)NCc1cccc(c1)I 11a_100000106179_100000210183 [1,1,0,0,0,0|1,0,1]=4 4651 B15R1.127 CCCCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210183 [1,1,0,0,0,0|1,0,1]=4 4652 B15R1.127 CCCCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210183 [1,1,0,0,0,0|1,0,1]=4 4653 B15R1.127 CCCCC(=O)NCc1cccc(c1)I 527a_100000106179_100000210183 [1,1,0,0,0,0|1,0,1]=4 4654 B15R1.127 CCCCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210183 [1,1,0,0,0,0|1,0,1]=4 4655 B15R1.127 CCCCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210183 [1,1,0,0,0,0|1,0,1]=4 4656 B15R1.127 CCCCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210183 [1,1,0,0,0,0|2,0,0]=4 4657 B15R1.127 CCCCC(=O)NNc1cccc(c1)C 22a_100000681630_100000210183 [1,1,0,0,0,0|2,0,0]=4 4658 B15R1.127 CCCCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210183 [1,1,0,0,0,0|2,0,0]=4 4659 B15R1.127 CCCCC(=O)NNc1cccc(c1)F 22a_100000745080_100000210183 [1,1,0,0,0,0|2,0,0]=4 4660 B15R1.127 CCCCC(=O)NNc1cccc(c1)I 22a_100020605690_100000210183 [1,1,0,0,0,0|2,0,0]=4 4661 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 11a_100020643023_100016258244 [1,1,0,0,0,0|1,0,0]=3 4662 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020643023_100016258244 [1,1,0,0,0,0|1,0,0]=3 4663 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020643023_100016258244 [1,1,0,0,0,0|1,0,0]=3 4664 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 11a_100020643023_100000690095 [1,1,0,0,0,0|1,0,0]=3 4665 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 1626a_100020643023_100000690095 [1,1,0,0,0,0|1,0,0]=3 4666 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 240690a_100020643023_100000690095 [1,1,0,0,0,0|1,0,0]=3 4667 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020643023_100000184502 [1,1,0,0,0,0|1,0,0]=3 4668 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020643023_100000184502 [1,1,0,0,0,0|1,0,0]=3 4669 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020643023_100000184502 [1,1,0,0,0,0|1,0,0]=3 4670 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 11a_100020643023_100000718793 [1,1,0,0,0,0|1,0,0]=3 4671 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 1626a_100020643023_100000718793 [1,1,0,0,0,0|1,0,0]=3 4672 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 240690a_100020643023_100000718793 [1,1,0,0,0,0|1,0,0]=3 4673 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 11a_100020643023_100020647043 [1,1,0,0,0,0|1,0,0]=3 4674 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 1626a_100020643023_100020647043 [1,1,0,0,0,0|1,0,0]=3 4675 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 240690a_100020643023_100020647043 [1,1,0,0,0,0|1,0,0]=3 4676 B15R1.127 CCCOC(=O)CNc1cccc(c1)Br 34a_100000210019_200011215008 [1,1,0,0,0,0|1,0,1]=4 4677 B15R1.127 CCCOC(=O)CNc1cccc(c1)C 2230a_100000188690_200011215008 [1,1,0,0,0,0|1,0,1]=4 4678 B15R1.127 CCCOC(=O)CNc1cccc(c1)C 34a_100000188690_200011215008 [1,1,0,0,0,0|1,0,1]=4 4679 B15R1.127 CCCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_200011215008 [1,1,0,0,0,0|1,0,1]=4 4680 B15R1.127 CCCOC(=O)CNc1cccc(c1)F 34a_100000210047_200011215008 [1,1,0,0,0,0|1,0,1]=4 4681 B15R1.127 CCCOC(=O)CNc1cccc(c1)I 34a_100000211102_200011215008 [1,1,0,0,0,0|1,0,1]=4 4682 B15R1.127 CCCOC(=O)CNc1cccc(c1)O 34a_100000210217_200011215008 [1,1,0,0,0,0|1,0,1]=4 4683 B15R1.127 CCCOC(=O)COc1cccc(c1)Br 34a_100000210342_200011215008 [1,1,0,0,0,0|1,0,1]=4 4684 B15R1.127 CCCOC(=O)COc1cccc(c1)Br 7a_100000210342_200011215008 [1,1,0,0,0,0|1,0,1]=4 4685 B15R1.127 CCCOC(=O)COc1cccc(c1)C 34a_100000210337_200011215008 [1,1,0,0,0,0|1,0,1]=4 4686 B15R1.127 CCCOC(=O)COc1cccc(c1)C 7a_100000210337_200011215008 [1,1,0,0,0,0|1,0,1]=4 4687 B15R1.127 CCCOC(=O)COc1cccc(c1)Cl 34a_100000210295_200011215008 [1,1,0,0,0,0|1,0,1]=4 4688 B15R1.127 CCCOC(=O)COc1cccc(c1)Cl 7a_100000210295_200011215008 [1,1,0,0,0,0|1,0,1]=4 4689 B15R1.127 CCCOC(=O)COc1cccc(c1)F 34a_100000210426_200011215008 [1,1,0,0,0,0|1,0,1]=4 4690 B15R1.127 CCCOC(=O)COc1cccc(c1)F 7a_100000210426_200011215008 [1,1,0,0,0,0|1,0,1]=4 4691 B15R1.127 CCCOC(=O)COc1cccc(c1)I 34a_100000211634_200011215008 [1,1,0,0,0,0|1,0,1]=4 4692 B15R1.127 CCCOC(=O)COc1cccc(c1)I 7a_100000211634_200011215008 [1,1,0,0,0,0|1,0,1]=4 4693 B15R1.127 CCCOC(=O)COc1cccc(c1)N 34a_100000210217_200011215008 [1,1,0,0,0,0|1,0,1]=4 4694 B15R1.127 CCCOC(=O)CSc1cccc(c1)Br 62a_100000691529_200011215008 [1,1,0,0,0,0|1,0,1]=4 4695 B15R1.127 CCCOC(=O)CSc1cccc(c1)Br 62a_200011215008_100000691529 [1,1,0,0,0,0|1,0,1]=4 4696 B15R1.127 CCCOC(=O)CSc1cccc(c1)C 62a_100011215228_200011215008 [1,1,0,0,0,0|1,0,1]=4 4697 B15R1.127 CCCOC(=O)CSc1cccc(c1)C 62a_200011215008_100011215228 [1,1,0,0,0,0|1,0,1]=4 4698 B15R1.127 CCCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_200011215008 [1,1,0,0,0,0|1,0,1]=4 4699 B15R1.127 CCCOC(=O)CSc1cccc(c1)Cl 62a_200011215008_100000699651 [1,1,0,0,0,0|1,0,1]=4 4700 B15R1.127 CCCOC(=O)CSc1cccc(c1)F 62a_100000685547_200011215008 [1,1,0,0,0,0|1,0,1]=4 4701 B15R1.127 CCCOC(=O)CSc1cccc(c1)F 62a_200011215008_100000685547 [1,1,0,0,0,0|1,0,1]=4 4702 B15R1.127 CCCOC(=O)CSc1cccc(c1)N 62a_100000210019_200011215008 [1,1,0,0,0,0|1,0,1]=4 4703 B15R1.127 CCCOC(=O)CSc1cccc(c1)N 62a_200011215008_100000210019 [1,1,0,0,0,0|1,0,1]=4 4704 B15R1.127 CCCOC(=O)CSc1cccc(c1)O 62a_200011215008_100000211634 [1,1,0,0,0,0|1,0,1]=4 4705 B15R1.127 CCCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_200011215008 [1,1,0,0,0,0|1,0,1]=4 4706 B15R1.127 CCCOC(=O)CSc1cccc(c1)[S] 62a_200011215008_114929384022 [1,1,0,0,0,0|1,0,1]=4 4707 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Br 22a_100000756455_100016258244 [1,1,0,0,0,0|2,0,0]=4 4708 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)C 22a_100000756455_100000690095 [1,1,0,0,0,0|2,0,0]=4 4709 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000756455_100000184502 [1,1,0,0,0,0|2,0,0]=4 4710 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)F 22a_100000756455_100000718793 [1,1,0,0,0,0|2,0,0]=4 4711 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)I 22a_100000756455_100020647043 [1,1,0,0,0,0|2,0,0]=4 4712 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)O 22a_100000756455_100102525460 [1,1,0,0,0,0|2,0,0]=4 4713 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000209952 [1,1,0,0,0,0|1,0,0]=3 4714 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000209952 [1,1,0,0,0,0|1,0,0]=3 4715 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000209952 [1,1,0,0,0,0|1,0,0]=3 4716 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000209952 [1,1,0,0,0,0|2,0,0]=4 4717 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000209952 [1,1,0,0,0,0|2,0,0]=4 4718 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000209952 [1,1,0,0,0,0|2,0,0]=4 4719 B15R1.127 CCOCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000209952 [1,1,0,0,0,0|2,0,0]=4 4720 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216171 [1,1,0,0,0,0|1,0,0]=3 4721 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216171 [1,1,0,0,0,0|1,0,0]=3 4722 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216171 [1,1,0,0,0,0|1,0,0]=3 4723 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_200011216171 [1,1,0,0,0,0|2,0,0]=4 4724 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)C 6a_100011998712_200011216171 [1,1,0,0,0,0|2,0,0]=4 4725 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_200011216171 [1,1,0,0,0,0|2,0,0]=4 4726 B15R1.127 CCSCC(=O)C=Cc1cncc(c1)F 6a_100011361476_200011216171 [1,1,0,0,0,0|2,0,0]=4 4727 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000233755 [1,1,0,0,0,0|1,0,0]=3 4728 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000742357 [1,1,0,0,0,0|1,0,0]=3 4729 B15R1.127 COCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000233755 [1,1,0,0,0,0|1,0,0]=3 4730 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000233755 [1,1,0,0,0,0|1,0,0]=3 4731 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000233755 [1,1,0,0,0,0|1,0,0]=3 4732 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000742357 [1,1,0,0,0,0|1,0,0]=3 4733 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000233755 [1,1,0,0,0,0|1,0,0]=3 4734 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000742357 [1,1,0,0,0,0|1,0,0]=3 4735 B15R1.127 COCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000742357 [1,1,0,0,0,0|2,0,0]=4 4736 B15R1.127 COCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000742357 [1,1,0,0,0,0|2,0,0]=4 4737 B15R1.127 COCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000742357 [1,1,0,0,0,0|2,0,0]=4 4738 B15R1.127 COCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000742357 [1,1,0,0,0,0|2,0,0]=4 4739 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000751147 [1,1,0,0,0,0|1,0,0]=3 4740 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011217047 [1,1,0,0,0,0|1,0,0]=3 4741 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000751147 [1,1,0,0,0,0|1,0,0]=3 4742 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000751147 [1,1,0,0,0,0|1,0,0]=3 4743 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000751147 [1,1,0,0,0,0|1,0,0]=3 4744 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011217047 [1,1,0,0,0,0|1,0,0]=3 4745 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000751147 [1,1,0,0,0,0|1,0,0]=3 4746 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011217047 [1,1,0,0,0,0|1,0,0]=3 4747 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011217047 [1,1,0,0,0,0|2,0,0]=4 4748 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011217047 [1,1,0,0,0,0|2,0,0]=4 4749 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011217047 [1,1,0,0,0,0|2,0,0]=4 4750 B15R1.127 CSCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011217047 [1,1,0,0,0,0|2,0,0]=4 4751 B15R1.127 Cc1cccc(c1)C=CC(=O)CCC#N 1458a_100000690095_100011215226 [1,1,0,0,0,0|1,0,1]=4 4752 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCF 1458a_100000690095_100011934791 [1,1,0,0,0,0|1,0,0]=3 4753 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCO 1458a_100000690095_100011215043 [1,1,0,0,0,0|1,0,0]=3 4754 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 11a_100000724931_100000690095 [1,1,0,0,0,0|2,0,0]=4 4755 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 1626a_100000724931_100000690095 [1,1,0,0,0,0|2,0,0]=4 4756 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 240690a_100000724931_100000690095 [1,1,0,0,0,0|2,0,0]=4 4757 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCO 240690a_100000210304_100000690095 [1,1,0,0,0,0|2,0,0]=4 4758 B15R1.127 Cc1cncc(c1)C=CC(=O)CCCBr 6a_100011998712_100000685027 [1,1,0,0,0,0|2,0,0]=4 4759 B15R1.127 Cc1cncc(c1)C=CC(=O)CCCCl 6a_100011998712_100011215641 [1,1,0,0,0,0|2,0,0]=4 4760 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215226 [1,1,0,0,0,0|1,0,1]=4 4761 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215226 [1,1,0,0,0,0|1,0,1]=4 4762 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215226 [1,1,0,0,0,0|1,0,1]=4 4763 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215226 [1,1,0,0,0,0|1,0,1]=4 4764 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCBr 6a_100000210085_100000685027 [1,1,0,0,0,0|1,0,0]=3 4765 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCCl 6a_100000210085_100011215641 [1,1,0,0,0,0|1,0,0]=3 4766 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCF 1458a_100016258244_100011934791 [1,1,0,0,0,0|1,0,0]=3 4767 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCO 1458a_100016258244_100011215043 [1,1,0,0,0,0|1,0,0]=3 4768 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 11a_100000724931_100016258244 [1,1,0,0,0,0|2,0,0]=4 4769 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 1626a_100000724931_100016258244 [1,1,0,0,0,0|2,0,0]=4 4770 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 240690a_100000724931_100016258244 [1,1,0,0,0,0|2,0,0]=4 4771 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCO 240690a_100000210304_100016258244 [1,1,0,0,0,0|2,0,0]=4 4772 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCF 1458a_100000184502_100011934791 [1,1,0,0,0,0|1,0,0]=3 4773 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCO 1458a_100000184502_100011215043 [1,1,0,0,0,0|1,0,0]=3 4774 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 11a_100000724931_100000184502 [1,1,0,0,0,0|2,0,0]=4 4775 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 1626a_100000724931_100000184502 [1,1,0,0,0,0|2,0,0]=4 4776 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100000184502 [1,1,0,0,0,0|2,0,0]=4 4777 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000184502 [1,1,0,0,0,0|2,0,0]=4 4778 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCBr 6a_100000210812_100000685027 [1,1,0,0,0,0|1,0,0]=3 4779 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCCl 6a_100000210812_100011215641 [1,1,0,0,0,0|1,0,0]=3 4780 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCF 1458a_100000718793_100011934791 [1,1,0,0,0,0|1,0,0]=3 4781 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCO 1458a_100000718793_100011215043 [1,1,0,0,0,0|1,0,0]=3 4782 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 11a_100000724931_100000718793 [1,1,0,0,0,0|2,0,0]=4 4783 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 1626a_100000724931_100000718793 [1,1,0,0,0,0|2,0,0]=4 4784 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 240690a_100000724931_100000718793 [1,1,0,0,0,0|2,0,0]=4 4785 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCO 240690a_100000210304_100000718793 [1,1,0,0,0,0|2,0,0]=4 4786 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCBr 6a_100000014684_100000685027 [1,1,0,0,0,0|1,0,0]=3 4787 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCCl 6a_100000014684_100011215641 [1,1,0,0,0,0|1,0,0]=3 4788 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCF 1458a_100020647043_100011934791 [1,1,0,0,0,0|1,0,0]=3 4789 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCO 1458a_100020647043_100011215043 [1,1,0,0,0,0|1,0,0]=3 4790 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 11a_100000724931_100020647043 [1,1,0,0,0,0|2,0,0]=4 4791 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 1626a_100000724931_100020647043 [1,1,0,0,0,0|2,0,0]=4 4792 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 240690a_100000724931_100020647043 [1,1,0,0,0,0|2,0,0]=4 4793 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCO 240690a_100000210304_100020647043 [1,1,0,0,0,0|2,0,0]=4 4794 B15R1.127 O=C(C=Cc1cncc(c1)Br)CCCBr 6a_100000687066_100000685027 [1,1,0,0,0,0|2,0,0]=4 4795 B15R1.127 O=C(C=Cc1cncc(c1)Br)CCCCl 6a_100000687066_100011215641 [1,1,0,0,0,0|2,0,0]=4 4796 B15R1.127 O=C(C=Cc1cncc(c1)Cl)CCCBr 6a_100000088910_100000685027 [1,1,0,0,0,0|2,0,0]=4 4797 B15R1.127 O=C(C=Cc1cncc(c1)Cl)CCCCl 6a_100000088910_100011215641 [1,1,0,0,0,0|2,0,0]=4 4798 B15R1.127 O=C(C=Cc1cncc(c1)F)CCCBr 6a_100011361476_100000685027 [1,1,0,0,0,0|2,0,0]=4 4799 B15R1.127 O=C(C=Cc1cncc(c1)F)CCCCl 6a_100011361476_100011215641 [1,1,0,0,0,0|2,0,0]=4 4800 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000753159 [1,1,0,0,0,0|0,0,2]=4 4801 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000753159 [1,1,0,0,0,0|0,0,2]=4 4802 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000753159 [1,1,0,0,0,0|0,0,2]=4 4803 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000753159 [1,1,0,0,0,0|0,0,2]=4 4804 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000753159 [1,1,0,0,0,0|0,0,2]=4 4805 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100102629194 [1,1,0,0,0,0|0,0,2]=4 4806 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100102629194 [1,1,0,0,0,0|0,0,2]=4 4807 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100102629194 [1,1,0,0,0,0|0,0,2]=4 4808 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100102629194 [1,1,0,0,0,0|0,0,2]=4 4809 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100102629194 [1,1,0,0,0,0|0,0,2]=4 4810 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000754431 [1,1,0,0,0,0|0,0,2]=4 4811 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000762624 [1,1,0,0,0,0|0,0,2]=4 4812 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000754431 [1,1,0,0,0,0|0,0,2]=4 4813 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000754431 [1,1,0,0,0,0|0,0,2]=4 4814 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000754431 [1,1,0,0,0,0|0,0,2]=4 4815 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000762624 [1,1,0,0,0,0|0,0,2]=4 4816 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000754431 [1,1,0,0,0,0|0,0,2]=4 4817 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000762624 [1,1,0,0,0,0|0,0,2]=4 4818 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000748600 [1,1,0,0,0,0|0,0,2]=4 4819 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000748600 [1,1,0,0,0,0|0,0,2]=4 4820 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000748600 [1,1,0,0,0,0|0,0,2]=4 4821 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000748600 [1,1,0,0,0,0|0,0,2]=4 4822 B15R1.139 CC#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000748600 [1,1,0,0,0,0|0,0,2]=4 4823 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000070051 [1,1,0,0,0,0|0,0,2]=4 4824 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000070051 [1,1,0,0,0,0|0,0,2]=4 4825 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000070051 [1,1,0,0,0,0|0,0,2]=4 4826 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000070051 [1,1,0,0,0,0|0,0,2]=4 4827 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000070051 [1,1,0,0,0,0|0,0,2]=4 4828 B15R1.139 CCCCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210211 [1,1,0,0,0,0|0,0,2]=4 4829 B15R1.139 CCCCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210211 [1,1,0,0,0,0|0,0,2]=4 4830 B15R1.139 CCCCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210211 [1,1,0,0,0,0|0,0,2]=4 4831 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210211 [1,1,0,0,0,0|0,0,0]=2 4832 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000032102 [1,1,0,0,0,0|0,0,0]=2 4833 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210211 [1,1,0,0,0,0|0,0,0]=2 4834 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210211 [1,1,0,0,0,0|0,0,0]=2 4835 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210211 [1,1,0,0,0,0|0,0,0]=2 4836 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000032102 [1,1,0,0,0,0|0,0,0]=2 4837 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210211 [1,1,0,0,0,0|0,0,0]=2 4838 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000032102 [1,1,0,0,0,0|0,0,0]=2 4839 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000032102 [1,1,0,0,0,0|1,0,0]=3 4840 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210211 [1,1,0,0,0,0|1,0,0]=3 4841 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000032102 [1,1,0,0,0,0|1,0,0]=3 4842 B15R1.139 CCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210211 [1,1,0,0,0,0|1,0,0]=3 4843 B15R1.139 CCCCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100000032102 [1,1,0,0,0,0|2,0,0]=4 4844 B15R1.139 CCCCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000032102 [1,1,0,0,0,0|2,0,0]=4 4845 B15R1.139 CCCCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100000032102 [1,1,0,0,0,0|2,0,0]=4 4846 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Br 1458a_100000210183_100011740612 [1,1,0,0,0,0|0,0,2]=4 4847 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210211 [1,1,0,0,0,0|0,0,2]=4 4848 B15R1.139 CCCCC(=O)CCc1ccc(cc1)C 1458a_100000210183_100011713686 [1,1,0,0,0,0|0,0,2]=4 4849 B15R1.139 CCCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210211 [1,1,0,0,0,0|0,0,2]=4 4850 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Cl 1458a_100000210183_100011713675 [1,1,0,0,0,0|0,0,2]=4 4851 B15R1.139 CCCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210211 [1,1,0,0,0,0|0,0,2]=4 4852 B15R1.139 CCCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210211 [1,1,0,0,0,0|0,0,2]=4 4853 B15R1.139 CCCCC(=O)CCc1ccc(cc1)F 1458a_100000210183_100011217392 [1,1,0,0,0,0|0,0,2]=4 4854 B15R1.139 CCCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210211 [1,1,0,0,0,0|0,0,2]=4 4855 B15R1.139 CCCCC(=O)CCc1ccc(cc1)O 1458a_100000210183_100009816426 [1,1,0,0,0,0|0,0,2]=4 4856 B15R1.139 CCCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210211 [1,1,0,0,0,0|0,0,2]=4 4857 B15R1.139 CCCCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210211 [1,1,0,0,0,0|1,0,1]=4 4858 B15R1.139 CCCCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210211 [1,1,0,0,0,0|1,0,1]=4 4859 B15R1.139 CCCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210211 [1,1,0,0,0,0|1,0,1]=4 4860 B15R1.139 CCCCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210211 [1,1,0,0,0,0|1,0,1]=4 4861 B15R1.139 CCCCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210211 [1,1,0,0,0,0|1,0,1]=4 4862 B15R1.139 CCCCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210211 [1,1,0,0,0,0|1,0,1]=4 4863 B15R1.139 CCCCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210211 [1,1,0,0,0,0|1,0,1]=4 4864 B15R1.139 CCCCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210211 [1,1,0,0,0,0|1,0,1]=4 4865 B15R1.139 CCCCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210211 [1,1,0,0,0,0|1,0,1]=4 4866 B15R1.139 CCCCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210211 [1,1,0,0,0,0|1,0,1]=4 4867 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210183 [1,1,0,0,0,0|1,0,1]=4 4868 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210183 [1,1,0,0,0,0|1,0,1]=4 4869 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210183 [1,1,0,0,0,0|1,0,1]=4 4870 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210183 [1,1,0,0,0,0|1,0,1]=4 4871 B15R1.139 CCCCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000210183 [1,1,0,0,0,0|1,0,1]=4 4872 B15R1.139 CCCCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000210183 [1,1,0,0,0,0|1,0,1]=4 4873 B15R1.139 CCCCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000210183 [1,1,0,0,0,0|1,0,1]=4 4874 B15R1.139 CCCCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000210183 [1,1,0,0,0,0|1,0,1]=4 4875 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210183 [1,1,0,0,0,0|1,0,1]=4 4876 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210183 [1,1,0,0,0,0|1,0,1]=4 4877 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210183 [1,1,0,0,0,0|1,0,1]=4 4878 B15R1.139 CCCCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210183 [1,1,0,0,0,0|1,0,1]=4 4879 B15R1.139 CCCCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210183 [1,1,0,0,0,0|1,0,1]=4 4880 B15R1.139 CCCCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210183 [1,1,0,0,0,0|1,0,1]=4 4881 B15R1.139 CCCCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210183 [1,1,0,0,0,0|1,0,1]=4 4882 B15R1.139 CCCCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210183 [1,1,0,0,0,0|1,0,1]=4 4883 B15R1.139 CCCCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210183 [1,1,0,0,0,0|1,0,1]=4 4884 B15R1.139 CCCCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210183 [1,1,0,0,0,0|1,0,1]=4 4885 B15R1.139 CCCCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210183 [1,1,0,0,0,0|1,0,1]=4 4886 B15R1.139 CCCCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210183 [1,1,0,0,0,0|1,0,1]=4 4887 B15R1.139 CCCCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210183 [1,1,0,0,0,0|1,0,1]=4 4888 B15R1.139 CCCCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210183 [1,1,0,0,0,0|1,0,1]=4 4889 B15R1.139 CCCCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000210183 [1,1,0,0,0,0|2,0,0]=4 4890 B15R1.139 CCCCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000210183 [1,1,0,0,0,0|2,0,0]=4 4891 B15R1.139 CCCCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000210183 [1,1,0,0,0,0|2,0,0]=4 4892 B15R1.139 CCCCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000210183 [1,1,0,0,0,0|2,0,0]=4 4893 B15R1.139 CCCCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000210183 [1,1,0,0,0,0|2,0,0]=4 4894 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020643023_100016267368 [1,1,0,0,0,0|1,0,0]=3 4895 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020643023_100016267368 [1,1,0,0,0,0|1,0,0]=3 4896 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 11a_100020643023_100000716854 [1,1,0,0,0,0|1,0,0]=3 4897 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020643023_100000716854 [1,1,0,0,0,0|1,0,0]=3 4898 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020643023_100000716854 [1,1,0,0,0,0|1,0,0]=3 4899 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020643023_100000184863 [1,1,0,0,0,0|1,0,0]=3 4900 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020643023_100000184863 [1,1,0,0,0,0|1,0,0]=3 4901 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020643023_100000184863 [1,1,0,0,0,0|1,0,0]=3 4902 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 11a_100020643023_100000182136 [1,1,0,0,0,0|1,0,0]=3 4903 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020643023_100000182136 [1,1,0,0,0,0|1,0,0]=3 4904 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020643023_100000182136 [1,1,0,0,0,0|1,0,0]=3 4905 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 11a_100020643023_100102526154 [1,1,0,0,0,0|1,0,0]=3 4906 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020643023_100102526154 [1,1,0,0,0,0|1,0,0]=3 4907 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020643023_100102526154 [1,1,0,0,0,0|1,0,0]=3 4908 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020643023_100016269017 [1,1,0,0,0,0|1,0,0]=3 4909 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 11a_100020643023_100020630499 [1,1,0,0,0,0|2,0,0]=4 4910 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100020643023_100020630499 [1,1,0,0,0,0|2,0,0]=4 4911 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100020643023_100020630499 [1,1,0,0,0,0|2,0,0]=4 4912 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100020643023_100020588214 [1,1,0,0,0,0|2,0,0]=4 4913 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020643023_100020588214 [1,1,0,0,0,0|2,0,0]=4 4914 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020643023_100020588214 [1,1,0,0,0,0|2,0,0]=4 4915 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_200011215008 [1,1,0,0,0,0|1,0,1]=4 4916 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_200011215008 [1,1,0,0,0,0|1,0,1]=4 4917 B15R1.139 CCCOC(=O)CNc1ccc(cc1)C 34a_100000124888_200011215008 [1,1,0,0,0,0|1,0,1]=4 4918 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_200011215008 [1,1,0,0,0,0|1,0,1]=4 4919 B15R1.139 CCCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_200011215008 [1,1,0,0,0,0|1,0,1]=4 4920 B15R1.139 CCCOC(=O)CNc1ccc(cc1)F 34a_100000185862_200011215008 [1,1,0,0,0,0|1,0,1]=4 4921 B15R1.139 CCCOC(=O)CNc1ccc(cc1)I 34a_100000185761_200011215008 [1,1,0,0,0,0|1,0,1]=4 4922 B15R1.139 CCCOC(=O)CNc1ccc(cc1)O 34a_100000185829_200011215008 [1,1,0,0,0,0|1,0,1]=4 4923 B15R1.139 CCCOC(=O)COc1ccc(cc1)Br 34a_100000185759_200011215008 [1,1,0,0,0,0|1,0,1]=4 4924 B15R1.139 CCCOC(=O)COc1ccc(cc1)Br 7a_100000185759_200011215008 [1,1,0,0,0,0|1,0,1]=4 4925 B15R1.139 CCCOC(=O)COc1ccc(cc1)C 34a_100000210336_200011215008 [1,1,0,0,0,0|1,0,1]=4 4926 B15R1.139 CCCOC(=O)COc1ccc(cc1)C 7a_100000210336_200011215008 [1,1,0,0,0,0|1,0,1]=4 4927 B15R1.139 CCCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_200011215008 [1,1,0,0,0,0|1,0,1]=4 4928 B15R1.139 CCCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_200011215008 [1,1,0,0,0,0|1,0,1]=4 4929 B15R1.139 CCCOC(=O)COc1ccc(cc1)F 34a_100000210339_200011215008 [1,1,0,0,0,0|1,0,1]=4 4930 B15R1.139 CCCOC(=O)COc1ccc(cc1)I 34a_100000212066_200011215008 [1,1,0,0,0,0|1,0,1]=4 4931 B15R1.139 CCCOC(=O)COc1ccc(cc1)I 7a_100000212066_200011215008 [1,1,0,0,0,0|1,0,1]=4 4932 B15R1.139 CCCOC(=O)COc1ccc(cc1)N 34a_100000185829_200011215008 [1,1,0,0,0,0|1,0,1]=4 4933 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_200011215008 [1,1,0,0,0,0|1,0,1]=4 4934 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Br 62a_200011215008_100000752885 [1,1,0,0,0,0|1,0,1]=4 4935 B15R1.139 CCCOC(=O)CSc1ccc(cc1)C 62a_100000186775_200011215008 [1,1,0,0,0,0|1,0,1]=4 4936 B15R1.139 CCCOC(=O)CSc1ccc(cc1)C 62a_200011215008_100000186775 [1,1,0,0,0,0|1,0,1]=4 4937 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_200011215008 [1,1,0,0,0,0|1,0,1]=4 4938 B15R1.139 CCCOC(=O)CSc1ccc(cc1)Cl 62a_200011215008_100000755918 [1,1,0,0,0,0|1,0,1]=4 4939 B15R1.139 CCCOC(=O)CSc1ccc(cc1)F 62a_100000211213_200011215008 [1,1,0,0,0,0|1,0,1]=4 4940 B15R1.139 CCCOC(=O)CSc1ccc(cc1)F 62a_200011215008_100000211213 [1,1,0,0,0,0|1,0,1]=4 4941 B15R1.139 CCCOC(=O)CSc1ccc(cc1)N 62a_100000185761_200011215008 [1,1,0,0,0,0|1,0,1]=4 4942 B15R1.139 CCCOC(=O)CSc1ccc(cc1)N 62a_200011215008_100000185761 [1,1,0,0,0,0|1,0,1]=4 4943 B15R1.139 CCCOC(=O)CSc1ccc(cc1)O 62a_200011215008_100000185759 [1,1,0,0,0,0|1,0,1]=4 4944 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000756455_100016267368 [1,1,0,0,0,0|2,0,0]=4 4945 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)C 22a_100000756455_100000716854 [1,1,0,0,0,0|2,0,0]=4 4946 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000756455_100000184863 [1,1,0,0,0,0|2,0,0]=4 4947 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)F 22a_100000756455_100000182136 [1,1,0,0,0,0|2,0,0]=4 4948 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)I 22a_100000756455_100102526154 [1,1,0,0,0,0|2,0,0]=4 4949 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)O 22a_100000756455_100016269017 [1,1,0,0,0,0|2,0,0]=4 4950 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000209952 [1,1,0,0,0,0|1,0,0]=3 4951 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000209952 [1,1,0,0,0,0|1,0,0]=3 4952 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000209952 [1,1,0,0,0,0|1,0,0]=3 4953 B15R1.139 CCOCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000209952 [1,1,0,0,0,0|2,0,0]=4 4954 B15R1.139 CCOCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000209952 [1,1,0,0,0,0|2,0,0]=4 4955 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216171 [1,1,0,0,0,0|1,0,0]=3 4956 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216171 [1,1,0,0,0,0|1,0,0]=3 4957 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216171 [1,1,0,0,0,0|1,0,0]=3 4958 B15R1.139 CCSCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_200011216171 [1,1,0,0,0,0|2,0,0]=4 4959 B15R1.139 CCSCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_200011216171 [1,1,0,0,0,0|2,0,0]=4 4960 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000233755 [1,1,0,0,0,0|1,0,0]=3 4961 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000742357 [1,1,0,0,0,0|1,0,0]=3 4962 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000233755 [1,1,0,0,0,0|1,0,0]=3 4963 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000233755 [1,1,0,0,0,0|1,0,0]=3 4964 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000233755 [1,1,0,0,0,0|1,0,0]=3 4965 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000742357 [1,1,0,0,0,0|1,0,0]=3 4966 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000233755 [1,1,0,0,0,0|1,0,0]=3 4967 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000742357 [1,1,0,0,0,0|1,0,0]=3 4968 B15R1.139 COCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000742357 [1,1,0,0,0,0|2,0,0]=4 4969 B15R1.139 COCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000233755 [1,1,0,0,0,0|2,0,0]=4 4970 B15R1.139 COCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000742357 [1,1,0,0,0,0|2,0,0]=4 4971 B15R1.139 COCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000233755 [1,1,0,0,0,0|2,0,0]=4 4972 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000751147 [1,1,0,0,0,0|1,0,0]=3 4973 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011217047 [1,1,0,0,0,0|1,0,0]=3 4974 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000751147 [1,1,0,0,0,0|1,0,0]=3 4975 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000751147 [1,1,0,0,0,0|1,0,0]=3 4976 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000751147 [1,1,0,0,0,0|1,0,0]=3 4977 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011217047 [1,1,0,0,0,0|1,0,0]=3 4978 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000751147 [1,1,0,0,0,0|1,0,0]=3 4979 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011217047 [1,1,0,0,0,0|1,0,0]=3 4980 B15R1.139 CSCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011217047 [1,1,0,0,0,0|2,0,0]=4 4981 B15R1.139 CSCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000751147 [1,1,0,0,0,0|2,0,0]=4 4982 B15R1.139 CSCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011217047 [1,1,0,0,0,0|2,0,0]=4 4983 B15R1.139 CSCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000751147 [1,1,0,0,0,0|2,0,0]=4 4984 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCC#N 1458a_100000716854_100011215226 [1,1,0,0,0,0|1,0,1]=4 4985 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCF 1458a_100000716854_100011934791 [1,1,0,0,0,0|1,0,0]=3 4986 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCO 1458a_100000716854_100011215043 [1,1,0,0,0,0|1,0,0]=3 4987 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000716854 [1,1,0,0,0,0|2,0,0]=4 4988 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000716854 [1,1,0,0,0,0|2,0,0]=4 4989 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100000716854 [1,1,0,0,0,0|2,0,0]=4 4990 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100000716854 [1,1,0,0,0,0|2,0,0]=4 4991 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215226 [1,1,0,0,0,0|1,0,1]=4 4992 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215226 [1,1,0,0,0,0|1,0,1]=4 4993 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215226 [1,1,0,0,0,0|1,0,1]=4 4994 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215226 [1,1,0,0,0,0|1,0,1]=4 4995 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCBr 6a_100000186029_100000685027 [1,1,0,0,0,0|1,0,0]=3 4996 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCCl 6a_100000186029_100011215641 [1,1,0,0,0,0|1,0,0]=3 4997 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCF 1458a_100016267368_100011934791 [1,1,0,0,0,0|1,0,0]=3 4998 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCO 1458a_100016267368_100011215043 [1,1,0,0,0,0|1,0,0]=3 4999 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 11a_100000724931_100016267368 [1,1,0,0,0,0|2,0,0]=4 5000 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 1626a_100000724931_100016267368 [1,1,0,0,0,0|2,0,0]=4 5001 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCF 1458a_100000184863_100011934791 [1,1,0,0,0,0|1,0,0]=3 5002 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCO 1458a_100000184863_100011215043 [1,1,0,0,0,0|1,0,0]=3 5003 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 11a_100000724931_100000184863 [1,1,0,0,0,0|2,0,0]=4 5004 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 1626a_100000724931_100000184863 [1,1,0,0,0,0|2,0,0]=4 5005 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000184863 [1,1,0,0,0,0|2,0,0]=4 5006 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000184863 [1,1,0,0,0,0|2,0,0]=4 5007 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCBr 6a_100000210084_100000685027 [1,1,0,0,0,0|1,0,0]=3 5008 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCCl 6a_100000210084_100011215641 [1,1,0,0,0,0|1,0,0]=3 5009 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCF 1458a_100000182136_100011934791 [1,1,0,0,0,0|1,0,0]=3 5010 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCO 1458a_100000182136_100011215043 [1,1,0,0,0,0|1,0,0]=3 5011 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 11a_100000724931_100000182136 [1,1,0,0,0,0|2,0,0]=4 5012 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 1626a_100000724931_100000182136 [1,1,0,0,0,0|2,0,0]=4 5013 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000182136 [1,1,0,0,0,0|2,0,0]=4 5014 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000182136 [1,1,0,0,0,0|2,0,0]=4 5015 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCBr 6a_100000188517_100000685027 [1,1,0,0,0,0|1,0,0]=3 5016 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCCl 6a_100000188517_100011215641 [1,1,0,0,0,0|1,0,0]=3 5017 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCF 1458a_100102526154_100011934791 [1,1,0,0,0,0|1,0,0]=3 5018 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCO 1458a_100102526154_100011215043 [1,1,0,0,0,0|1,0,0]=3 5019 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 11a_100000724931_100102526154 [1,1,0,0,0,0|2,0,0]=4 5020 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 1626a_100000724931_100102526154 [1,1,0,0,0,0|2,0,0]=4 5021 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 240690a_100000724931_100102526154 [1,1,0,0,0,0|2,0,0]=4 5022 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCO 240690a_100000210304_100102526154 [1,1,0,0,0,0|2,0,0]=4 5023 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCF 240690a_100000724931_100016269017 [1,1,0,0,0,0|2,0,0]=4 5024 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCO 240690a_100000210304_100016269017 [1,1,0,0,0,0|2,0,0]=4 5025 B15R1.139 O=C(C=Cc1ccc(cn1)Br)CCCBr 6a_100000754260_100000685027 [1,1,0,0,0,0|2,0,0]=4 5026 B15R1.139 O=C(C=Cc1ccc(cn1)Br)CCCCl 6a_100000754260_100011215641 [1,1,0,0,0,0|2,0,0]=4 5027 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCBr 6a_100011934744_100000685027 [1,1,0,0,0,0|2,0,0]=4 5028 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCCl 6a_100011934744_100011215641 [1,1,0,0,0,0|2,0,0]=4 5029 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCF 1458a_100020630499_100011934791 [1,1,0,0,0,0|2,0,0]=4 5030 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCO 1458a_100020630499_100011215043 [1,1,0,0,0,0|2,0,0]=4 5031 B15R1.139 O=C(C=Cc1ccc(nc1)Br)CCCF 1458a_100020588214_100011934791 [1,1,0,0,0,0|2,0,0]=4 5032 B15R1.139 O=C(C=Cc1ccc(nc1)Br)CCCO 1458a_100020588214_100011215043 [1,1,0,0,0,0|2,0,0]=4 5033 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000753159 [1,1,0,0,0,0|0,0,2]=4 5034 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000753159 [1,1,0,0,0,0|0,0,2]=4 5035 B15R1.551 C#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000753159 [1,1,0,0,0,0|0,0,2]=4 5036 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCC#N 1458a_100016990649_100011215226 [1,1,0,0,0,0|1,0,1]=4 5037 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCF 1458a_100016990649_100011934791 [1,1,0,0,0,0|1,0,0]=3 5038 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCO 1458a_100016990649_100011215043 [1,1,0,0,0,0|1,0,0]=3 5039 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 11a_100000724931_100016990649 [1,1,0,0,0,0|2,0,0]=4 5040 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 1626a_100000724931_100016990649 [1,1,0,0,0,0|2,0,0]=4 5041 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 527a_100000724931_100016990649 [1,1,0,0,0,0|2,0,0]=4 5042 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCO 527a_100000210304_100016990649 [1,1,0,0,0,0|2,0,0]=4 5043 B15R1.551 C/C(=C\c1ccccn1)/C(=O)CCCF 1458a_100025712827_100011934791 [1,1,0,0,0,0|2,0,0]=4 5044 B15R1.551 C/C(=C\c1ccccn1)/C(=O)CCCO 1458a_100025712827_100011215043 [1,1,0,0,0,0|2,0,0]=4 5045 B15R1.551 C/C=C/CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100102629194 [1,1,0,0,0,0|0,0,2]=4 5046 B15R1.551 C/C=C/CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100102629194 [1,1,0,0,0,0|0,0,2]=4 5047 B15R1.551 C/C=C/CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100102629194 [1,1,0,0,0,0|0,0,2]=4 5048 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 11a_100020643023_100000066491 [1,1,0,0,0,0|1,0,1]=4 5049 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 1626a_100020643023_100000066491 [1,1,0,0,0,0|1,0,1]=4 5050 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000754431 [1,1,0,0,0,0|0,0,2]=4 5051 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000754431 [1,1,0,0,0,0|0,0,2]=4 5052 B15R1.551 C=CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000754431 [1,1,0,0,0,0|0,0,2]=4 5053 B15R1.551 CC#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000748600 [1,1,0,0,0,0|0,0,2]=4 5054 B15R1.551 CC#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000748600 [1,1,0,0,0,0|0,0,2]=4 5055 B15R1.551 CC#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000748600 [1,1,0,0,0,0|0,0,2]=4 5056 B15R1.551 CC=CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000070051 [1,1,0,0,0,0|0,0,2]=4 5057 B15R1.551 CC=CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000070051 [1,1,0,0,0,0|0,0,2]=4 5058 B15R1.551 CC=CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000070051 [1,1,0,0,0,0|0,0,2]=4 5059 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210211 [1,1,0,0,0,0|0,0,0]=2 5060 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210211 [1,1,0,0,0,0|0,0,0]=2 5061 B15R1.551 CCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210211 [1,1,0,0,0,0|1,0,0]=3 5062 B15R1.551 CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210211 [1,1,0,0,0,0|0,0,0]=2 5063 B15R1.551 CCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210211 [1,1,0,0,0,0|1,0,0]=3 5064 B15R1.551 CCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210211 [1,1,0,0,0,0|1,0,0]=3 5065 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000210183_200011218536 [1,1,0,0,0,0|0,0,2]=4 5066 B15R1.551 CCCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210211 [1,1,0,0,0,0|0,0,2]=4 5067 B15R1.551 CCCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210211 [1,1,0,0,0,0|1,0,1]=4 5068 B15R1.551 CCCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210211 [1,1,0,0,0,0|1,0,1]=4 5069 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210183 [1,1,0,0,0,0|1,0,1]=4 5070 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210183 [1,1,0,0,0,0|1,0,1]=4 5071 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210183 [1,1,0,0,0,0|1,0,1]=4 5072 B15R1.551 CCCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210183 [1,1,0,0,0,0|1,0,1]=4 5073 B15R1.551 CCCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210211 [1,1,0,0,0,0|0,0,2]=4 5074 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020643023_100016990649 [1,1,0,0,0,0|1,0,0]=3 5075 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020643023_100016990649 [1,1,0,0,0,0|1,0,0]=3 5076 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020643023_100016990649 [1,1,0,0,0,0|1,0,0]=3 5077 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 5078 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 5079 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 5080 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020643023_200020598536 [1,1,0,0,0,0|1,0,0]=3 5081 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 11a_100020643023_100025712827 [1,1,0,0,0,0|2,0,0]=4 5082 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020643023_100025712827 [1,1,0,0,0,0|2,0,0]=4 5083 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 527a_100020643023_100025712827 [1,1,0,0,0,0|2,0,0]=4 5084 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020643023_100020889036 [1,1,0,0,0,0|1,0,0]=3 5085 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020643023_100020889036 [1,1,0,0,0,0|1,0,0]=3 5086 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 11a_100020643023_100000731744 [1,1,0,0,0,0|2,0,0]=4 5087 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 240690a_100020643023_100000731744 [1,1,0,0,0,0|2,0,0]=4 5088 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 527a_100020643023_100000731744 [1,1,0,0,0,0|2,0,0]=4 5089 B15R1.551 CCCNC(=O)C(=O)Cc1ccccc1 1458a_200011297150_100015291786 [1,1,0,0,0,0|1,0,1]=4 5090 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297150 [1,1,0,0,0,0|2,0,0]=4 5091 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297150 [1,1,0,0,0,0|2,0,0]=4 5092 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 240690a_100020643023_100000738435 [1,1,0,0,0,0|2,0,0]=4 5093 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297150 [1,1,0,0,0,0|2,0,0]=4 5094 B15R1.551 CCCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100000760410 [1,1,0,0,0,0|1,0,1]=4 5095 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100000760410 [1,1,0,0,0,0|1,0,1]=4 5096 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100000760410 [1,1,0,0,0,0|1,0,1]=4 5097 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100000760410 [1,1,0,0,0,0|1,0,1]=4 5098 B15R1.551 CCCOC(=O)C(C)Sc1ccccc1 62a_100000760410_100000041952 [1,1,0,0,0,0|1,0,1]=4 5099 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000756455_100016990649 [1,1,0,0,0,0|2,0,0]=4 5100 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000756455_200020598536 [1,1,0,0,0,0|2,0,0]=4 5101 B15R1.551 CCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000756455_100020889036 [1,1,0,0,0,0|2,0,0]=4 5102 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000233755 [1,1,0,0,0,0|1,0,0]=3 5103 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000233755 [1,1,0,0,0,0|1,0,0]=3 5104 B15R1.551 COCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000233755 [1,1,0,0,0,0|2,0,0]=4 5105 B15R1.551 COCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000233755 [1,1,0,0,0,0|1,0,0]=3 5106 B15R1.551 COCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000233755 [1,1,0,0,0,0|2,0,0]=4 5107 B15R1.551 COCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000233755 [1,1,0,0,0,0|2,0,0]=4 5108 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000751147 [1,1,0,0,0,0|1,0,0]=3 5109 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000751147 [1,1,0,0,0,0|1,0,0]=3 5110 B15R1.551 CSCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000751147 [1,1,0,0,0,0|2,0,0]=4 5111 B15R1.551 CSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000751147 [1,1,0,0,0,0|1,0,0]=3 5112 B15R1.551 CSCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000751147 [1,1,0,0,0,0|2,0,0]=4 5113 B15R1.551 CSCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000751147 [1,1,0,0,0,0|2,0,0]=4 5114 B15R1.551 N#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215226 [1,1,0,0,0,0|1,0,1]=4 5115 B15R1.551 N#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215226 [1,1,0,0,0,0|1,0,1]=4 5116 B15R1.551 O=C(CCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011934791 [1,1,0,0,0,0|1,0,0]=3 5117 B15R1.551 O=C(CCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011934791 [1,1,0,0,0,0|1,0,0]=3 5118 B15R1.551 O=C(CCCF)C(=Cc1cccnc1)F 1458a_100000731744_100011934791 [1,1,0,0,0,0|2,0,0]=4 5119 B15R1.551 O=C(CCCF)C(=O)Nc1ccccc1 1458a_100000738435_100011934791 [1,1,0,0,0,0|2,0,0]=4 5120 B15R1.551 O=C(CCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215043 [1,1,0,0,0,0|1,0,0]=3 5121 B15R1.551 O=C(CCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215043 [1,1,0,0,0,0|1,0,0]=3 5122 B15R1.551 O=C(CCCO)C(=Cc1cccnc1)F 1458a_100000731744_100011215043 [1,1,0,0,0,0|2,0,0]=4 5123 B15R1.551 O=C(CCCO)C(=O)Nc1ccccc1 1458a_100000738435_100011215043 [1,1,0,0,0,0|2,0,0]=4 5124 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 11a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 5125 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 1626a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 5126 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 240690a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 5127 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 527a_100000724931_200020598536 [1,1,0,0,0,0|2,0,0]=4 5128 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 11a_100000724931_100020889036 [1,1,0,0,0,0|2,0,0]=4 5129 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 527a_100000724931_100020889036 [1,1,0,0,0,0|2,0,0]=4 5130 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 240690a_100000210304_200020598536 [1,1,0,0,0,0|2,0,0]=4 5131 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 527a_100000210304_200020598536 [1,1,0,0,0,0|2,0,0]=4 5132 B15R1.551 O=C(NCCO)/C(=C\c1ccccc1)/F 527a_100000210304_100020889036 [1,1,0,0,0,0|2,0,0]=4 5133 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747405 [1,1,0,0,0,0|0,0,1]=3 5134 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000747405 [1,1,0,0,0,0|1,0,1]=4 5135 B15R1.741 CCC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000747405 [1,1,0,0,0,0|1,0,1]=4 5136 B15R1.741 CCC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000747405 [1,1,0,0,0,0|1,0,1]=4 5137 B15R1.741 CCC(C)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000748023 [1,1,0,0,0,0|0,0,2]=4 5138 B15R1.741 CCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748023 [1,1,0,0,0,0|0,0,0]=2 5139 B15R1.741 CCC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748023 [1,1,0,0,0,0|1,0,0]=3 5140 B15R1.741 CCC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748023 [1,1,0,0,0,0|1,0,0]=3 5141 B15R1.741 CCC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748023 [1,1,0,0,0,0|1,0,0]=3 5142 B15R1.741 CCC(C)CC(=O)C=Cc1cncnc1 6a_100000749868_100011710205 [1,1,0,0,0,0|2,0,0]=4 5143 B15R1.741 CCC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000748023 [1,1,0,0,0,0|0,0,2]=4 5144 B15R1.741 CCC(C)CC(=O)CCc1ccccc1 1458a_100000708755_100000765856 [1,1,0,0,0,0|0,0,2]=4 5145 B15R1.741 CCC(C)CC(=O)COc1ccccc1 1458a_100000186222_100000748023 [1,1,0,0,0,0|1,0,1]=4 5146 B15R1.741 CCC(C)CC(=O)CSc1ccccc1 1458a_100000211596_100000748023 [1,1,0,0,0,0|1,0,1]=4 5147 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 11a_100015324214_100000708755 [1,1,0,0,0,0|1,0,1]=4 5148 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 1626a_100015324214_100000708755 [1,1,0,0,0,0|1,0,1]=4 5149 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 240690a_100015324214_100000708755 [1,1,0,0,0,0|1,0,1]=4 5150 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 527a_100015324214_100000708755 [1,1,0,0,0,0|1,0,1]=4 5151 B15R1.741 CCC(C)CC(=O)NNc1ccccc1 22a_100015195140_100000708755 [1,1,0,0,0,0|2,0,0]=4 5152 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 11a_100000209981_100000210462 [1,1,0,0,0,0|1,0,0]=3 5153 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 1626a_100000209981_100000210462 [1,1,0,0,0,0|1,0,0]=3 5154 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 11a_100000209981_100000740811 [1,1,0,0,0,0|2,0,0]=4 5155 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 240690a_100000209981_100000740811 [1,1,0,0,0,0|2,0,0]=4 5156 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 11a_100000209981_100000735890 [1,1,0,0,0,0|2,0,0]=4 5157 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 240690a_100000209981_100000735890 [1,1,0,0,0,0|2,0,0]=4 5158 B15R1.741 CCC(C)NC(=O)C=Cc1ccncc1 240690a_100000209981_100000682801 [1,1,0,0,0,0|2,0,0]=4 5159 B15R1.741 CCC(O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100011218378 [1,1,0,0,0,0|0,0,2]=4 5160 B15R1.741 CCC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218378 [1,1,0,0,0,0|0,0,0]=2 5161 B15R1.741 CCC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218378 [1,1,0,0,0,0|1,0,0]=3 5162 B15R1.741 CCC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218378 [1,1,0,0,0,0|1,0,0]=3 5163 B15R1.741 CCC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218378 [1,1,0,0,0,0|1,0,0]=3 5164 B15R1.741 CCC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218378 [1,1,0,0,0,0|0,0,2]=4 5165 B15R1.741 CCC(O)CC(=O)CCc1ccccc1 1458a_100011667805_100000765856 [1,1,0,0,0,0|0,0,2]=4 5166 B15R1.741 CCC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218378 [1,1,0,0,0,0|1,0,1]=4 5167 B15R1.741 CCC(O)CC(=O)CSc1ccccc1 1458a_100000211596_100011218378 [1,1,0,0,0,0|1,0,1]=4 5168 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 1626a_100015324214_100011667805 [1,1,0,0,0,0|1,0,1]=4 5169 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 240690a_100015324214_100011667805 [1,1,0,0,0,0|1,0,1]=4 5170 B15R1.741 CCC(O)CC(=O)NNc1ccccc1 22a_100015195140_100011667805 [1,1,0,0,0,0|2,0,0]=4 5171 B15R1.741 CC[C@H](C)CC(=O)C#Cc1ccccc1 1458a_100000736102_100009816398 [1,1,0,0,0,0|0,0,2]=4 5172 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009816398 [1,1,0,0,0,0|0,0,0]=2 5173 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100009816398 [1,1,0,0,0,0|1,0,0]=3 5174 B15R1.741 CC[C@H](C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100009816398 [1,1,0,0,0,0|1,0,0]=3 5175 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100009816398 [1,1,0,0,0,0|1,0,0]=3 5176 B15R1.741 CC[C@H](C)CC(=O)CCc1ccccc1 1458a_100000185753_100009816398 [1,1,0,0,0,0|0,0,2]=4 5177 B15R1.741 CC[C@H](C)CC(=O)COc1ccccc1 1458a_100000186222_100009816398 [1,1,0,0,0,0|1,0,1]=4 5178 B15R1.741 CC[C@H](C)CC(=O)CSc1ccccc1 1458a_100000211596_100009816398 [1,1,0,0,0,0|1,0,1]=4 5179 B15R1.741 CNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183359 [1,1,0,0,0,0|1,0,1]=4 5180 B15R1.741 COC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747449 [1,1,0,0,0,0|1,0,1]=4 5181 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000059175 [1,1,0,0,0,0|1,0,0]=3 5182 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000059175 [1,1,0,0,0,0|2,0,0]=4 5183 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000059175 [1,1,0,0,0,0|2,0,0]=4 5184 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000059175 [1,1,0,0,0,0|2,0,0]=4 5185 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 11a_100102880703_100000210462 [1,1,0,0,0,0|2,0,0]=4 5186 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 1626a_100102880703_100000210462 [1,1,0,0,0,0|2,0,0]=4 5187 B15R1.826 CC(CC#N)C(=O)C=Cc1ccccc1 1458a_100000210462_100009813641 [1,1,0,0,0,0|1,0,1]=4 5188 B15R1.826 CC(CCO)C(=O)C=Cc1ccccc1 1458a_100000210462_100009893172 [1,1,0,0,0,0|1,0,0]=3 5189 B15R1.826 CC(CCO)C(=O)C=Cc1ccccn1 1458a_100000740811_100009893172 [1,1,0,0,0,0|2,0,0]=4 5190 B15R1.826 CC(CCO)C(=O)C=Cc1cccnc1 1458a_100000735890_100009893172 [1,1,0,0,0,0|2,0,0]=4 5191 B15R1.826 CC(CCO)C(=O)C=Cc1ccncc1 1458a_100000682801_100009893172 [1,1,0,0,0,0|2,0,0]=4 5192 B15R1.826 CCCC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000766640 [1,1,0,0,0,0|0,0,2]=4 5193 B15R1.826 CCCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000766640 [1,1,0,0,0,0|0,0,0]=2 5194 B15R1.826 CCCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000766640 [1,1,0,0,0,0|1,0,0]=3 5195 B15R1.826 CCCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000766640 [1,1,0,0,0,0|1,0,0]=3 5196 B15R1.826 CCCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000766640 [1,1,0,0,0,0|1,0,0]=3 5197 B15R1.826 CCCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000766640 [1,1,0,0,0,0|0,0,2]=4 5198 B15R1.826 CCCC(C)C(=O)CCc1ccccc1 1458a_100000210906_100000765856 [1,1,0,0,0,0|0,0,2]=4 5199 B15R1.826 CCCC(C)C(=O)COc1ccccc1 1458a_100000186222_100000766640 [1,1,0,0,0,0|1,0,1]=4 5200 B15R1.826 CCCC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000766640 [1,1,0,0,0,0|1,0,1]=4 5201 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210906 [1,1,0,0,0,0|1,0,1]=4 5202 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210906 [1,1,0,0,0,0|1,0,1]=4 5203 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210906 [1,1,0,0,0,0|1,0,1]=4 5204 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210906 [1,1,0,0,0,0|1,0,1]=4 5205 B15R1.826 CCCC(C)C(=O)NNc1ccccc1 22a_100015195140_100000210906 [1,1,0,0,0,0|2,0,0]=4 5206 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 11a_100000747261_100000210462 [1,1,0,0,0,0|1,0,0]=3 5207 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 1626a_100000747261_100000210462 [1,1,0,0,0,0|1,0,0]=3 5208 B15R1.826 CCCN(C)C(=O)C=Cc1ccccn1 11a_100000747261_100000740811 [1,1,0,0,0,0|2,0,0]=4 5209 B15R1.826 CCCN(C)C(=O)C=Cc1ccccn1 240690a_100000747261_100000740811 [1,1,0,0,0,0|2,0,0]=4 5210 B15R1.826 CCCN(C)C(=O)C=Cc1cccnc1 11a_100000747261_100000735890 [1,1,0,0,0,0|2,0,0]=4 5211 B15R1.826 CCCN(C)C(=O)C=Cc1cccnc1 240690a_100000747261_100000735890 [1,1,0,0,0,0|2,0,0]=4 5212 B15R1.826 CCCN(C)C(=O)C=Cc1ccncc1 240690a_100000747261_100000682801 [1,1,0,0,0,0|2,0,0]=4 5213 B15R1.826 CCC[C@H](O)C(=O)CCc1ccccc1 1458a_100009822183_100000765856 [1,1,0,0,0,0|0,0,2]=4 5214 B15R1.826 CCC[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100009822183 [1,1,0,0,0,0|1,0,1]=4 5215 B15R1.826 CCC[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_100009822183 [1,1,0,0,0,0|2,0,0]=4 5216 B15R1.826 COCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000765312 [1,1,0,0,0,0|1,0,0]=3 5217 B15R1.826 COCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000765312 [1,1,0,0,0,0|2,0,0]=4 5218 B15R1.826 COCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000765312 [1,1,0,0,0,0|2,0,0]=4 5219 B15R1.826 COCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000765312 [1,1,0,0,0,0|2,0,0]=4 5220 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000753159 [1,1,0,0,0,0|0,0,2]=4 5221 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000753159 [1,1,0,0,0,0|0,0,2]=4 5222 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000753159 [1,1,0,0,0,0|0,0,2]=4 5223 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000753159 [1,1,0,0,0,0|0,0,2]=4 5224 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100102629194 [1,1,0,0,0,0|0,0,2]=4 5225 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100102629194 [1,1,0,0,0,0|0,0,2]=4 5226 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1F 1458a_100016256065_100102629194 [1,1,0,0,0,0|0,0,2]=4 5227 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1O 1458a_100016263591_100102629194 [1,1,0,0,0,0|0,0,2]=4 5228 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000754431 [1,1,0,0,0,0|0,0,2]=4 5229 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000754431 [1,1,0,0,0,0|0,0,2]=4 5230 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000754431 [1,1,0,0,0,0|0,0,2]=4 5231 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000754431 [1,1,0,0,0,0|0,0,2]=4 5232 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000748600 [1,1,0,0,0,0|0,0,2]=4 5233 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000748600 [1,1,0,0,0,0|0,0,2]=4 5234 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000748600 [1,1,0,0,0,0|0,0,2]=4 5235 B15R1.1208 CC#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000748600 [1,1,0,0,0,0|0,0,2]=4 5236 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000070051 [1,1,0,0,0,0|0,0,2]=4 5237 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000070051 [1,1,0,0,0,0|0,0,2]=4 5238 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000070051 [1,1,0,0,0,0|0,0,2]=4 5239 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000070051 [1,1,0,0,0,0|0,0,2]=4 5240 B15R1.1208 CCCCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210211 [1,1,0,0,0,0|0,0,2]=4 5241 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210211 [1,1,0,0,0,0|0,0,0]=2 5242 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210211 [1,1,0,0,0,0|0,0,0]=2 5243 B15R1.1208 CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210211 [1,1,0,0,0,0|0,0,0]=2 5244 B15R1.1208 CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210211 [1,1,0,0,0,0|0,0,0]=2 5245 B15R1.1208 CCCCC(=O)CCc1ccccc1Br 1458a_100000210183_100012161201 [1,1,0,0,0,0|0,0,2]=4 5246 B15R1.1208 CCCCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210211 [1,1,0,0,0,0|0,0,2]=4 5247 B15R1.1208 CCCCC(=O)CCc1ccccc1C 1458a_100000210183_100011713688 [1,1,0,0,0,0|0,0,2]=4 5248 B15R1.1208 CCCCC(=O)CCc1ccccc1C 1458a_100000748742_100000210211 [1,1,0,0,0,0|0,0,2]=4 5249 B15R1.1208 CCCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210211 [1,1,0,0,0,0|0,0,2]=4 5250 B15R1.1208 CCCCC(=O)CCc1ccccc1Cl 1458a_100000210183_100011713703 [1,1,0,0,0,0|0,0,2]=4 5251 B15R1.1208 CCCCC(=O)CCc1ccccc1F 1458a_100000189703_100000210211 [1,1,0,0,0,0|0,0,2]=4 5252 B15R1.1208 CCCCC(=O)CCc1ccccc1F 1458a_100000210183_100000720011 [1,1,0,0,0,0|0,0,2]=4 5253 B15R1.1208 CCCCC(=O)CCc1ccccc1I 1458a_100000037306_100000210211 [1,1,0,0,0,0|0,0,2]=4 5254 B15R1.1208 CCCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210211 [1,1,0,0,0,0|0,0,2]=4 5255 B15R1.1208 CCCCC(=O)CCc1ccccc1O 1458a_100000210183_100000722297 [1,1,0,0,0,0|0,0,2]=4 5256 B15R1.1208 CCCCC(=O)COc1ccccc1Br 1458a_100000216496_100000210211 [1,1,0,0,0,0|1,0,1]=4 5257 B15R1.1208 CCCCC(=O)COc1ccccc1C 1458a_100000182418_100000210211 [1,1,0,0,0,0|1,0,1]=4 5258 B15R1.1208 CCCCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210211 [1,1,0,0,0,0|1,0,1]=4 5259 B15R1.1208 CCCCC(=O)COc1ccccc1F 1458a_100000182486_100000210211 [1,1,0,0,0,0|1,0,1]=4 5260 B15R1.1208 CCCCC(=O)COc1ccccc1O 1458a_100000183020_100000210211 [1,1,0,0,0,0|1,0,1]=4 5261 B15R1.1208 CCCCC(=O)CSc1ccccc1C 1458a_100000183026_100000210211 [1,1,0,0,0,0|1,0,1]=4 5262 B15R1.1208 CCCCC(=O)CSc1ccccc1F 1458a_100000179528_100000210211 [1,1,0,0,0,0|1,0,1]=4 5263 B15R1.1208 CCCCC(=O)CSc1ccccc1O 1458a_100000695322_100000210211 [1,1,0,0,0,0|1,0,1]=4 5264 B15R1.1208 CCCCC(=O)NCc1ccccc1Br 11a_100000689332_100000210183 [1,1,0,0,0,0|1,0,1]=4 5265 B15R1.1208 CCCCC(=O)NCc1ccccc1Br 1626a_100000689332_100000210183 [1,1,0,0,0,0|1,0,1]=4 5266 B15R1.1208 CCCCC(=O)NCc1ccccc1Br 240690a_100000689332_100000210183 [1,1,0,0,0,0|1,0,1]=4 5267 B15R1.1208 CCCCC(=O)NCc1ccccc1Br 527a_100000689332_100000210183 [1,1,0,0,0,0|1,0,1]=4 5268 B15R1.1208 CCCCC(=O)NCc1ccccc1C 11a_100000174972_100000210183 [1,1,0,0,0,0|1,0,1]=4 5269 B15R1.1208 CCCCC(=O)NCc1ccccc1C 1626a_100000174972_100000210183 [1,1,0,0,0,0|1,0,1]=4 5270 B15R1.1208 CCCCC(=O)NCc1ccccc1C 240690a_100000174972_100000210183 [1,1,0,0,0,0|1,0,1]=4 5271 B15R1.1208 CCCCC(=O)NCc1ccccc1C 527a_100000174972_100000210183 [1,1,0,0,0,0|1,0,1]=4 5272 B15R1.1208 CCCCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210183 [1,1,0,0,0,0|1,0,1]=4 5273 B15R1.1208 CCCCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210183 [1,1,0,0,0,0|1,0,1]=4 5274 B15R1.1208 CCCCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210183 [1,1,0,0,0,0|1,0,1]=4 5275 B15R1.1208 CCCCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210183 [1,1,0,0,0,0|1,0,1]=4 5276 B15R1.1208 CCCCC(=O)NCc1ccccc1F 11a_100000174869_100000210183 [1,1,0,0,0,0|1,0,1]=4 5277 B15R1.1208 CCCCC(=O)NCc1ccccc1F 1626a_100000174869_100000210183 [1,1,0,0,0,0|1,0,1]=4 5278 B15R1.1208 CCCCC(=O)NCc1ccccc1F 240690a_100000174869_100000210183 [1,1,0,0,0,0|1,0,1]=4 5279 B15R1.1208 CCCCC(=O)NCc1ccccc1F 527a_100000174869_100000210183 [1,1,0,0,0,0|1,0,1]=4 5280 B15R1.1208 CCCCC(=O)NCc1ccccc1I 11a_100015347259_100000210183 [1,1,0,0,0,0|1,0,1]=4 5281 B15R1.1208 CCCCC(=O)NCc1ccccc1I 1626a_100015347259_100000210183 [1,1,0,0,0,0|1,0,1]=4 5282 B15R1.1208 CCCCC(=O)NCc1ccccc1I 240690a_100015347259_100000210183 [1,1,0,0,0,0|1,0,1]=4 5283 B15R1.1208 CCCCC(=O)NCc1ccccc1I 527a_100015347259_100000210183 [1,1,0,0,0,0|1,0,1]=4 5284 B15R1.1208 CCCCC(=O)NCc1ccccc1O 240690a_100000185550_100000210183 [1,1,0,0,0,0|1,0,1]=4 5285 B15R1.1208 CCCCC(=O)NCc1ccccc1O 527a_100000185550_100000210183 [1,1,0,0,0,0|1,0,1]=4 5286 B15R1.1208 CCCCC(=O)NNc1ccccc1Br 22a_100000241748_100000210183 [1,1,0,0,0,0|2,0,0]=4 5287 B15R1.1208 CCCCC(=O)NNc1ccccc1C 22a_100000184220_100000210183 [1,1,0,0,0,0|2,0,0]=4 5288 B15R1.1208 CCCCC(=O)NNc1ccccc1Cl 22a_100000683529_100000210183 [1,1,0,0,0,0|2,0,0]=4 5289 B15R1.1208 CCCCC(=O)NNc1ccccc1F 22a_100000239246_100000210183 [1,1,0,0,0,0|2,0,0]=4 5290 B15R1.1208 CCCCC(=O)NNc1ccccc1I 22a_100011218156_100000210183 [1,1,0,0,0,0|2,0,0]=4 5291 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 11a_100020643023_100000719032 [1,1,0,0,0,0|1,0,0]=3 5292 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 1626a_100020643023_100000719032 [1,1,0,0,0,0|1,0,0]=3 5293 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 240690a_100020643023_100000719032 [1,1,0,0,0,0|1,0,0]=3 5294 B15R1.1208 CCCNC(=O)C=Cc1ccccc1C 1626a_100020643023_100016266485 [1,1,0,0,0,0|1,0,0]=3 5295 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 11a_100020643023_100000720304 [1,1,0,0,0,0|1,0,0]=3 5296 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 1626a_100020643023_100000720304 [1,1,0,0,0,0|1,0,0]=3 5297 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 240690a_100020643023_100000720304 [1,1,0,0,0,0|1,0,0]=3 5298 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 11a_100020643023_100016256065 [1,1,0,0,0,0|1,0,0]=3 5299 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 1626a_100020643023_100016256065 [1,1,0,0,0,0|1,0,0]=3 5300 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 240690a_100020643023_100016256065 [1,1,0,0,0,0|1,0,0]=3 5301 B15R1.1208 CCCOC(=O)CNc1ccccc1Br 34a_100000210017_200011215008 [1,1,0,0,0,0|1,0,1]=4 5302 B15R1.1208 CCCOC(=O)CNc1ccccc1C 34a_100015192222_200011215008 [1,1,0,0,0,0|1,0,1]=4 5303 B15R1.1208 CCCOC(=O)CNc1ccccc1Cl 34a_100000185783_200011215008 [1,1,0,0,0,0|1,0,1]=4 5304 B15R1.1208 CCCOC(=O)CNc1ccccc1F 34a_100000210422_200011215008 [1,1,0,0,0,0|1,0,1]=4 5305 B15R1.1208 CCCOC(=O)CNc1ccccc1I 34a_100000210053_200011215008 [1,1,0,0,0,0|1,0,1]=4 5306 B15R1.1208 CCCOC(=O)CNc1ccccc1O 34a_100000185747_200011215008 [1,1,0,0,0,0|1,0,1]=4 5307 B15R1.1208 CCCOC(=O)COc1ccccc1Br 34a_100000181306_200011215008 [1,1,0,0,0,0|1,0,1]=4 5308 B15R1.1208 CCCOC(=O)COc1ccccc1Br 7a_100000181306_200011215008 [1,1,0,0,0,0|1,0,1]=4 5309 B15R1.1208 CCCOC(=O)COc1ccccc1C 34a_100000210338_200011215008 [1,1,0,0,0,0|1,0,1]=4 5310 B15R1.1208 CCCOC(=O)COc1ccccc1C 7a_100000210338_200011215008 [1,1,0,0,0,0|1,0,1]=4 5311 B15R1.1208 CCCOC(=O)COc1ccccc1Cl 34a_100000210172_200011215008 [1,1,0,0,0,0|1,0,1]=4 5312 B15R1.1208 CCCOC(=O)COc1ccccc1Cl 7a_100000210172_200011215008 [1,1,0,0,0,0|1,0,1]=4 5313 B15R1.1208 CCCOC(=O)COc1ccccc1F 34a_100000210171_200011215008 [1,1,0,0,0,0|1,0,1]=4 5314 B15R1.1208 CCCOC(=O)COc1ccccc1F 7a_100000210171_200011215008 [1,1,0,0,0,0|1,0,1]=4 5315 B15R1.1208 CCCOC(=O)COc1ccccc1I 34a_100000739446_200011215008 [1,1,0,0,0,0|1,0,1]=4 5316 B15R1.1208 CCCOC(=O)COc1ccccc1I 7a_100000739446_200011215008 [1,1,0,0,0,0|1,0,1]=4 5317 B15R1.1208 CCCOC(=O)COc1ccccc1N 34a_100000185747_200011215008 [1,1,0,0,0,0|1,0,1]=4 5318 B15R1.1208 CCCOC(=O)COc1ccccc1N 7a_100000185747_200011215008 [1,1,0,0,0,0|1,0,1]=4 5319 B15R1.1208 CCCOC(=O)CSc1ccccc1Br 62a_100000695589_200011215008 [1,1,0,0,0,0|1,0,1]=4 5320 B15R1.1208 CCCOC(=O)CSc1ccccc1Br 62a_200011215008_100000695589 [1,1,0,0,0,0|1,0,1]=4 5321 B15R1.1208 CCCOC(=O)CSc1ccccc1C 62a_100000210755_200011215008 [1,1,0,0,0,0|1,0,1]=4 5322 B15R1.1208 CCCOC(=O)CSc1ccccc1C 62a_200011215008_100000210755 [1,1,0,0,0,0|1,0,1]=4 5323 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl 62a_100000764095_200011215008 [1,1,0,0,0,0|1,0,1]=4 5324 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl 62a_200011215008_100000764095 [1,1,0,0,0,0|1,0,1]=4 5325 B15R1.1208 CCCOC(=O)CSc1ccccc1F 62a_100011215700_200011215008 [1,1,0,0,0,0|1,0,1]=4 5326 B15R1.1208 CCCOC(=O)CSc1ccccc1F 62a_200011215008_100011215700 [1,1,0,0,0,0|1,0,1]=4 5327 B15R1.1208 CCCOC(=O)CSc1ccccc1N 62a_100000210017_200011215008 [1,1,0,0,0,0|1,0,1]=4 5328 B15R1.1208 CCCOC(=O)CSc1ccccc1N 62a_200011215008_100000210017 [1,1,0,0,0,0|1,0,1]=4 5329 B15R1.1208 CCCOC(=O)CSc1ccccc1O 62a_100000739446_200011215008 [1,1,0,0,0,0|1,0,1]=4 5330 B15R1.1208 CCCOC(=O)CSc1ccccc1O 62a_200011215008_100000739446 [1,1,0,0,0,0|1,0,1]=4 5331 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Br 22a_100000756455_100000719032 [1,1,0,0,0,0|2,0,0]=4 5332 B15R1.1208 CCNNC(=O)C=Cc1ccccc1C 22a_100000756455_100016266485 [1,1,0,0,0,0|2,0,0]=4 5333 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Cl 22a_100000756455_100000720304 [1,1,0,0,0,0|2,0,0]=4 5334 B15R1.1208 CCNNC(=O)C=Cc1ccccc1F 22a_100000756455_100016256065 [1,1,0,0,0,0|2,0,0]=4 5335 B15R1.1208 CCNNC(=O)C=Cc1ccccc1O 22a_100000756455_100016263591 [1,1,0,0,0,0|2,0,0]=4 5336 B15R1.1208 COCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000233755 [1,1,0,0,0,0|1,0,0]=3 5337 B15R1.1208 COCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000233755 [1,1,0,0,0,0|1,0,0]=3 5338 B15R1.1208 COCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000233755 [1,1,0,0,0,0|1,0,0]=3 5339 B15R1.1208 COCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000233755 [1,1,0,0,0,0|1,0,0]=3 5340 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000751147 [1,1,0,0,0,0|1,0,0]=3 5341 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000751147 [1,1,0,0,0,0|1,0,0]=3 5342 B15R1.1208 CSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000751147 [1,1,0,0,0,0|1,0,0]=3 5343 B15R1.1208 CSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000751147 [1,1,0,0,0,0|1,0,0]=3 5344 B15R1.1208 Cc1ccccc1C=CC(=O)NCCF 1626a_100000724931_100016266485 [1,1,0,0,0,0|2,0,0]=4 5345 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215226 [1,1,0,0,0,0|1,0,1]=4 5346 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215226 [1,1,0,0,0,0|1,0,1]=4 5347 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215226 [1,1,0,0,0,0|1,0,1]=4 5348 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215226 [1,1,0,0,0,0|1,0,1]=4 5349 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCF 1458a_100000719032_100011934791 [1,1,0,0,0,0|1,0,0]=3 5350 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCO 1458a_100000719032_100011215043 [1,1,0,0,0,0|1,0,0]=3 5351 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 11a_100000724931_100000719032 [1,1,0,0,0,0|2,0,0]=4 5352 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 1626a_100000724931_100000719032 [1,1,0,0,0,0|2,0,0]=4 5353 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 240690a_100000724931_100000719032 [1,1,0,0,0,0|2,0,0]=4 5354 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCO 240690a_100000210304_100000719032 [1,1,0,0,0,0|2,0,0]=4 5355 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCF 1458a_100000720304_100011934791 [1,1,0,0,0,0|1,0,0]=3 5356 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCO 1458a_100000720304_100011215043 [1,1,0,0,0,0|1,0,0]=3 5357 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 11a_100000724931_100000720304 [1,1,0,0,0,0|2,0,0]=4 5358 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 1626a_100000724931_100000720304 [1,1,0,0,0,0|2,0,0]=4 5359 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 240690a_100000724931_100000720304 [1,1,0,0,0,0|2,0,0]=4 5360 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCO 240690a_100000210304_100000720304 [1,1,0,0,0,0|2,0,0]=4 5361 B15R1.1208 O=C(C=Cc1ccccc1F)CCCF 1458a_100016256065_100011934791 [1,1,0,0,0,0|1,0,0]=3 5362 B15R1.1208 O=C(C=Cc1ccccc1F)CCCO 1458a_100016256065_100011215043 [1,1,0,0,0,0|1,0,0]=3 5363 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 11a_100000724931_100016256065 [1,1,0,0,0,0|2,0,0]=4 5364 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 1626a_100000724931_100016256065 [1,1,0,0,0,0|2,0,0]=4 5365 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 240690a_100000724931_100016256065 [1,1,0,0,0,0|2,0,0]=4 5366 B15R1.1208 O=C(C=Cc1ccccc1F)NCCO 240690a_100000210304_100016256065 [1,1,0,0,0,0|2,0,0]=4 5367 B15R1.1208 O=C(C=Cc1ccccc1O)CCCF 1458a_100016263591_100011934791 [1,1,0,0,0,0|1,0,0]=3 5368 B15R1.1208 O=C(C=Cc1ccccc1O)CCCO 1458a_100016263591_100011215043 [1,1,0,0,0,0|1,0,0]=3 5369 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730704 [1,1,0,0,0,0|0,0,1]=3 5370 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730704 [1,1,0,0,0,0|1,0,1]=4 5371 B15R1.5919 C=C(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730704 [1,1,0,0,0,0|1,0,1]=4 5372 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730704 [1,1,0,0,0,0|1,0,1]=4 5373 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 11a_100000765925_100000210462 [1,1,0,0,0,0|1,0,1]=4 5374 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 1626a_100000765925_100000210462 [1,1,0,0,0,0|1,0,1]=4 5375 B15R1.5919 CC(=CCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100000761012 [1,1,0,0,0,0|0,0,2]=4 5376 B15R1.5919 CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200000210301 [1,1,0,0,0,0|1,0,1]=4 5377 B15R1.5919 CC(C)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210312 [1,1,0,0,0,0|0,0,2]=4 5378 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [1,1,0,0,0,0|0,0,0]=2 5379 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210312 [1,1,0,0,0,0|1,0,0]=3 5380 B15R1.5919 CC(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210312 [1,1,0,0,0,0|1,0,0]=3 5381 B15R1.5919 CC(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210312 [1,1,0,0,0,0|1,0,0]=3 5382 B15R1.5919 CC(C)CCC(=O)C=Cc1cncnc1 6a_100000749868_100000210476 [1,1,0,0,0,0|2,0,0]=4 5383 B15R1.5919 CC(C)CCC(=O)CCc1ccccc1 1458a_100000181311_100000765856 [1,1,0,0,0,0|0,0,2]=4 5384 B15R1.5919 CC(C)CCC(=O)CCc1ccccc1 1458a_100000185753_100000210312 [1,1,0,0,0,0|0,0,2]=4 5385 B15R1.5919 CC(C)CCC(=O)COc1ccccc1 1458a_100000186222_100000210312 [1,1,0,0,0,0|1,0,1]=4 5386 B15R1.5919 CC(C)CCC(=O)CSc1ccccc1 1458a_100000211596_100000210312 [1,1,0,0,0,0|1,0,1]=4 5387 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 11a_100015324214_100000181311 [1,1,0,0,0,0|1,0,1]=4 5388 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 1626a_100015324214_100000181311 [1,1,0,0,0,0|1,0,1]=4 5389 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 240690a_100015324214_100000181311 [1,1,0,0,0,0|1,0,1]=4 5390 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 527a_100015324214_100000181311 [1,1,0,0,0,0|1,0,1]=4 5391 B15R1.5919 CC(C)CCC(=O)NNc1ccccc1 22a_100015195140_100000181311 [1,1,0,0,0,0|2,0,0]=4 5392 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 11a_100000210953_100000210462 [1,1,0,0,0,0|1,0,0]=3 5393 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 1626a_100000210953_100000210462 [1,1,0,0,0,0|1,0,0]=3 5394 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 11a_100000210953_100000740811 [1,1,0,0,0,0|2,0,0]=4 5395 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 240690a_100000210953_100000740811 [1,1,0,0,0,0|2,0,0]=4 5396 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 11a_100000210953_100000735890 [1,1,0,0,0,0|2,0,0]=4 5397 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 240690a_100000210953_100000735890 [1,1,0,0,0,0|2,0,0]=4 5398 B15R1.5919 CC(C)CNC(=O)C=Cc1ccncc1 240690a_100000210953_100000682801 [1,1,0,0,0,0|2,0,0]=4 5399 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccc1 22a_100000741168_100000210462 [1,1,0,0,0,0|2,0,0]=4 5400 B15R1.5919 CC(O)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100012276601 [1,1,0,0,0,0|0,0,2]=4 5401 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100012276601 [1,1,0,0,0,0|0,0,0]=2 5402 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100012276601 [1,1,0,0,0,0|1,0,0]=3 5403 B15R1.5919 CC(O)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100012276601 [1,1,0,0,0,0|1,0,0]=3 5404 B15R1.5919 CC(O)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100012276601 [1,1,0,0,0,0|1,0,0]=3 5405 B15R1.5919 CC(O)CCC(=O)CCc1ccccc1 1458a_100000185753_100012276601 [1,1,0,0,0,0|0,0,2]=4 5406 B15R1.5919 CC(O)CCC(=O)COc1ccccc1 1458a_100000186222_100012276601 [1,1,0,0,0,0|1,0,1]=4 5407 B15R1.5919 CC(O)CCC(=O)CSc1ccccc1 1458a_100000211596_100012276601 [1,1,0,0,0,0|1,0,1]=4 5408 B15R1.5919 CC(O)CCC(=O)NCc1ccccc1 1626a_100015324214_100000718519 [1,1,0,0,0,0|1,0,1]=4 5409 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccc1 11a_100000210904_100000210462 [1,1,0,0,0,0|1,0,0]=3 5410 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 11a_100000210904_100000740811 [1,1,0,0,0,0|2,0,0]=4 5411 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 240690a_100000210904_100000740811 [1,1,0,0,0,0|2,0,0]=4 5412 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 11a_100000210904_100000735890 [1,1,0,0,0,0|2,0,0]=4 5413 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 240690a_100000210904_100000735890 [1,1,0,0,0,0|2,0,0]=4 5414 B15R1.5919 CC(O)CNC(=O)C=Cc1ccncc1 240690a_100000210904_100000682801 [1,1,0,0,0,0|2,0,0]=4 5415 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 11a_100000765723_100000210462 [1,1,0,0,0,0|2,0,0]=4 5416 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 1626a_100000765723_100000210462 [1,1,0,0,0,0|2,0,0]=4 5417 B15R1.5919 [13CH3]C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200025704644 [1,1,0,0,0,0|1,0,1]=4 5418 B15R1.5934 CCCNS(=O)(=O)C=Cc1ccccc1 40a_100020643023_100011098038 [1,1,0,0,0,0|2,0,0]=4 5419 B15R1.77 CCCCCC(=O)C=Cc1cc(c[nH]1)I 6a_100000071964_100011215151 [0,1,0,0,1,0|2,0,0]=4 5420 B15R1.77 CCCCCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100011215151 [0,1,0,0,1,0|2,0,0]=4 5421 B15R1.77 CCCCCC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_100000210326 [0,1,0,0,1,0|2,0,0]=4 5422 B15R1.77 CCCCCC(=O)C=Cc1cc(cs1)Br 6a_100000211722_100011215151 [0,1,0,0,1,0|2,0,0]=4 5423 B15R1.77 CCCCCC(=O)C=Cc1cc(cs1)I 6a_100010179861_100011215151 [0,1,0,0,1,0|2,0,0]=4 5424 B15R1.77 CCCCCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210326 [0,1,0,0,1,0|2,0,0]=4 5425 B15R1.77 CCCCCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210326 [0,1,0,0,1,0|2,0,0]=4 5426 B15R1.77 CCCCCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210326 [0,1,0,0,1,0|2,0,0]=4 5427 B15R1.77 CCCCCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100011215151 [0,1,0,0,1,0|2,0,0]=4 5428 B15R1.77 CCCCCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100000210326 [0,1,0,0,1,0|2,0,0]=4 5429 B15R1.77 CCCCCC(=O)C=Cc1ccc(s1)C 1458a_100102558089_100000210326 [0,1,0,0,1,0|2,0,0]=4 5430 B15R1.77 CCCCCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100000210326 [0,1,0,0,1,0|2,0,0]=4 5431 B15R1.77 CCCCCC(=O)C=Cc1csc(c1)Br 6a_100000737087_100011215151 [0,1,0,0,1,0|2,0,0]=4 5432 B15R1.77 CCCCNC(=O)C=Cc1cc(cs1)Br 11a_100000102301_100102601599 [0,1,0,0,1,0|2,0,0]=4 5433 B15R1.77 CCCCNC(=O)C=Cc1cc(cs1)Br 1626a_100000102301_100102601599 [0,1,0,0,1,0|2,0,0]=4 5434 B15R1.77 CCCCNC(=O)C=Cc1cc(cs1)Br 240690a_100000102301_100102601599 [0,1,0,0,1,0|2,0,0]=4 5435 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)Br 11a_100000102301_100000182240 [0,1,0,0,1,0|2,0,0]=4 5436 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)Br 240690a_100000102301_100000182240 [0,1,0,0,1,0|2,0,0]=4 5437 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)C 11a_100000102301_100000183563 [0,1,0,0,1,0|2,0,0]=4 5438 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)C 1626a_100000102301_100000183563 [0,1,0,0,1,0|2,0,0]=4 5439 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)C 240690a_100000102301_100000183563 [0,1,0,0,1,0|2,0,0]=4 5440 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)C 527a_100000102301_100000183563 [0,1,0,0,1,0|2,0,0]=4 5441 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)I 11a_100000102301_100000679848 [0,1,0,0,1,0|2,0,0]=4 5442 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)I 1626a_100000102301_100000679848 [0,1,0,0,1,0|2,0,0]=4 5443 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)I 240690a_100000102301_100000679848 [0,1,0,0,1,0|2,0,0]=4 5444 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)Br 11a_100000102301_100102558031 [0,1,0,0,1,0|2,0,0]=4 5445 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)Br 1626a_100000102301_100102558031 [0,1,0,0,1,0|2,0,0]=4 5446 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)Br 240690a_100000102301_100102558031 [0,1,0,0,1,0|2,0,0]=4 5447 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)C 11a_100000102301_100102558089 [0,1,0,0,1,0|2,0,0]=4 5448 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)C 1626a_100000102301_100102558089 [0,1,0,0,1,0|2,0,0]=4 5449 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)C 240690a_100000102301_100102558089 [0,1,0,0,1,0|2,0,0]=4 5450 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)Cl 11a_100000102301_100102558157 [0,1,0,0,1,0|2,0,0]=4 5451 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)Cl 1626a_100000102301_100102558157 [0,1,0,0,1,0|2,0,0]=4 5452 B15R1.77 CCCCNC(=O)C=Cc1ccc(s1)Cl 240690a_100000102301_100102558157 [0,1,0,0,1,0|2,0,0]=4 5453 B15R1.503 CC(C)CCCC(=O)C=Cc1cccs1 1458a_100000182767_100011214892 [0,1,0,0,1,0|2,0,0]=4 5454 B15R1.503 CC(C)CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100011214892 [0,1,0,0,1,0|2,0,0]=4 5455 B15R1.503 CC(C)CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100011214892 [0,1,0,0,1,0|2,0,0]=4 5456 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 11a_100000210545_100000182767 [0,1,0,0,1,0|2,0,0]=4 5457 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 1626a_100000210545_100000182767 [0,1,0,0,1,0|2,0,0]=4 5458 B15R1.503 CC(C)CCNC(=O)C=Cc1cccs1 240690a_100000210545_100000182767 [0,1,0,0,1,0|2,0,0]=4 5459 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 11a_100000210545_100000238621 [0,1,0,0,1,0|2,0,0]=4 5460 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 1626a_100000210545_100000238621 [0,1,0,0,1,0|2,0,0]=4 5461 B15R1.503 CC(C)CCNC(=O)C=Cc1ccoc1 240690a_100000210545_100000238621 [0,1,0,0,1,0|2,0,0]=4 5462 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 11a_100000210545_100000698588 [0,1,0,0,1,0|2,0,0]=4 5463 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 1626a_100000210545_100000698588 [0,1,0,0,1,0|2,0,0]=4 5464 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 240690a_100000210545_100000698588 [0,1,0,0,1,0|2,0,0]=4 5465 B15R1.503 CC(C)CCNC(=O)C=Cc1ccsc1 527a_100000210545_100000698588 [0,1,0,0,1,0|2,0,0]=4 5466 B15R1.503 CC(O)CCCC(=O)C=Cc1cccs1 1458a_100000182767_200000718107 [0,1,0,0,1,0|2,0,0]=4 5467 B15R1.503 CC(O)CCCC(=O)C=Cc1ccoc1 1458a_100000238621_200000718107 [0,1,0,0,1,0|2,0,0]=4 5468 B15R1.503 CC(O)CCCC(=O)C=Cc1ccsc1 1458a_100000698588_200000718107 [0,1,0,0,1,0|2,0,0]=4 5469 B15R1.503 CC(O)CCNC(=O)C=Cc1cccs1 240690a_200000755665_100000182767 [0,1,0,0,1,0|2,0,0]=4 5470 B15R1.503 CC(O)CCNC(=O)C=Cc1ccoc1 240690a_200000755665_100000238621 [0,1,0,0,1,0|2,0,0]=4 5471 B15R1.503 CC(O)CCNC(=O)C=Cc1ccsc1 240690a_200000755665_100000698588 [0,1,0,0,1,0|2,0,0]=4 5472 B15R1.503 CC(O)CCNC(=O)C=Cc1ccsc1 527a_200000755665_100000698588 [0,1,0,0,1,0|2,0,0]=4 5473 B15R1.579 CCCCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210757 [0,1,0,0,1,0|2,0,0]=4 5474 B15R1.579 CCCCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210757 [0,1,0,0,1,0|2,0,0]=4 5475 B15R1.579 CCCCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210757 [0,1,0,0,1,0|2,0,0]=4 5476 B15R1.579 CCCCCNC(=O)C=Cc1cccs1 11a_100000209983_100000182767 [0,1,0,0,1,0|2,0,0]=4 5477 B15R1.579 CCCCCNC(=O)C=Cc1cccs1 1626a_100000209983_100000182767 [0,1,0,0,1,0|2,0,0]=4 5478 B15R1.579 CCCCCNC(=O)C=Cc1cccs1 240690a_100000209983_100000182767 [0,1,0,0,1,0|2,0,0]=4 5479 B15R1.579 CCCCCNC(=O)C=Cc1ccoc1 11a_100000209983_100000238621 [0,1,0,0,1,0|2,0,0]=4 5480 B15R1.579 CCCCCNC(=O)C=Cc1ccoc1 1626a_100000209983_100000238621 [0,1,0,0,1,0|2,0,0]=4 5481 B15R1.579 CCCCCNC(=O)C=Cc1ccoc1 240690a_100000209983_100000238621 [0,1,0,0,1,0|2,0,0]=4 5482 B15R1.579 CCCCCNC(=O)C=Cc1ccsc1 11a_100000209983_100000698588 [0,1,0,0,1,0|2,0,0]=4 5483 B15R1.579 CCCCCNC(=O)C=Cc1ccsc1 1626a_100000209983_100000698588 [0,1,0,0,1,0|2,0,0]=4 5484 B15R1.579 CCCCCNC(=O)C=Cc1ccsc1 240690a_100000209983_100000698588 [0,1,0,0,1,0|2,0,0]=4 5485 B15R1.579 CCCCCNC(=O)C=Cc1ccsc1 527a_100000209983_100000698588 [0,1,0,0,1,0|2,0,0]=4 5486 B15R1.579 CCCCNNC(=O)C=Cc1ccco1 22a_100025702795_100000720202 [0,1,0,0,1,0|2,0,0]=4 5487 B15R1.579 CCCCNNC(=O)C=Cc1cccs1 22a_100025702795_100000182767 [0,1,0,0,1,0|2,0,0]=4 5488 B15R1.579 CCCCNNC(=O)C=Cc1ccoc1 22a_100025702795_100000238621 [0,1,0,0,1,0|2,0,0]=4 5489 B15R1.579 CCCCNNC(=O)C=Cc1ccsc1 22a_100025702795_100000698588 [0,1,0,0,1,0|2,0,0]=4 5490 B15R1.579 CCCCOCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100011995733 [0,1,0,0,1,0|2,0,0]=4 5491 B15R1.579 CCCCOCC(=O)C=Cc1cccs1 1458a_100000182767_100011995733 [0,1,0,0,1,0|1,0,0]=3 5492 B15R1.579 CCCCOCC(=O)C=Cc1ccoc1 1458a_100000238621_100011995733 [0,1,0,0,1,0|1,0,0]=3 5493 B15R1.579 CCCCOCC(=O)C=Cc1ccsc1 1458a_100000698588_100011995733 [0,1,0,0,1,0|1,0,0]=3 5494 B15R1.579 CCCCOCC(=O)C=Cc1cscn1 1458a_200000747928_100011995733 [0,1,0,0,1,0|2,0,0]=4 5495 B15R1.579 CCCCOCC(=O)C=Cc1nccs1 1458a_100102558208_100011995733 [0,1,0,0,1,0|2,0,0]=4 5496 B15R1.579 CCCOCCC(=O)C=Cc1cccs1 1458a_100000182767_100011215938 [0,1,0,0,1,0|2,0,0]=4 5497 B15R1.579 CCCOCCC(=O)C=Cc1ccoc1 1458a_100000238621_100011215938 [0,1,0,0,1,0|2,0,0]=4 5498 B15R1.579 CCCOCCC(=O)C=Cc1ccsc1 1458a_100000698588_100011215938 [0,1,0,0,1,0|2,0,0]=4 5499 B15R1.579 CCOCCCC(=O)C=Cc1cccs1 1458a_100000182767_100012232248 [0,1,0,0,1,0|2,0,0]=4 5500 B15R1.579 CCOCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100012232248 [0,1,0,0,1,0|2,0,0]=4 5501 B15R1.579 CCOCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100012232248 [0,1,0,0,1,0|2,0,0]=4 5502 B15R1.579 CCOCCNC(=O)C=Cc1cccs1 11a_100011200944_100000182767 [0,1,0,0,1,0|2,0,0]=4 5503 B15R1.579 CCOCCNC(=O)C=Cc1cccs1 1626a_102516460346_100000182767 [0,1,0,0,1,0|2,0,0]=4 5504 B15R1.579 CCOCCNC(=O)C=Cc1cccs1 240690a_100011200944_100000182767 [0,1,0,0,1,0|2,0,0]=4 5505 B15R1.579 CCOCCNC(=O)C=Cc1ccoc1 11a_100011200944_100000238621 [0,1,0,0,1,0|2,0,0]=4 5506 B15R1.579 CCOCCNC(=O)C=Cc1ccoc1 1626a_102516460346_100000238621 [0,1,0,0,1,0|2,0,0]=4 5507 B15R1.579 CCOCCNC(=O)C=Cc1ccoc1 240690a_100011200944_100000238621 [0,1,0,0,1,0|2,0,0]=4 5508 B15R1.579 CCOCCNC(=O)C=Cc1ccsc1 11a_100011200944_100000698588 [0,1,0,0,1,0|2,0,0]=4 5509 B15R1.579 CCOCCNC(=O)C=Cc1ccsc1 1626a_102516460346_100000698588 [0,1,0,0,1,0|2,0,0]=4 5510 B15R1.579 CCOCCNC(=O)C=Cc1ccsc1 240690a_100011200944_100000698588 [0,1,0,0,1,0|2,0,0]=4 5511 B15R1.579 CCOCCNC(=O)C=Cc1ccsc1 527a_100011200944_100000698588 [0,1,0,0,1,0|2,0,0]=4 5512 B15R1.579 CCSCCNC(=O)C=Cc1cccs1 11a_100000106463_100000182767 [0,1,0,0,1,0|2,0,0]=4 5513 B15R1.579 CCSCCNC(=O)C=Cc1cccs1 1626a_100000106463_100000182767 [0,1,0,0,1,0|2,0,0]=4 5514 B15R1.579 CCSCCNC(=O)C=Cc1cccs1 240690a_100000106463_100000182767 [0,1,0,0,1,0|2,0,0]=4 5515 B15R1.579 CCSCCNC(=O)C=Cc1ccoc1 11a_100000106463_100000238621 [0,1,0,0,1,0|2,0,0]=4 5516 B15R1.579 CCSCCNC(=O)C=Cc1ccoc1 1626a_100000106463_100000238621 [0,1,0,0,1,0|2,0,0]=4 5517 B15R1.579 CCSCCNC(=O)C=Cc1ccoc1 240690a_100000106463_100000238621 [0,1,0,0,1,0|2,0,0]=4 5518 B15R1.579 CCSCCNC(=O)C=Cc1ccsc1 11a_100000106463_100000698588 [0,1,0,0,1,0|2,0,0]=4 5519 B15R1.579 CCSCCNC(=O)C=Cc1ccsc1 1626a_100000106463_100000698588 [0,1,0,0,1,0|2,0,0]=4 5520 B15R1.579 CCSCCNC(=O)C=Cc1ccsc1 240690a_100000106463_100000698588 [0,1,0,0,1,0|2,0,0]=4 5521 B15R1.579 CCSCCNC(=O)C=Cc1ccsc1 527a_100000106463_100000698588 [0,1,0,0,1,0|2,0,0]=4 5522 B15R1.579 COCCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000755781 [0,1,0,0,1,0|2,0,0]=4 5523 B15R1.579 COCCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000755781 [0,1,0,0,1,0|2,0,0]=4 5524 B15R1.579 COCCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000755781 [0,1,0,0,1,0|2,0,0]=4 5525 B15R1.579 COCCCNC(=O)C=Cc1cccs1 1626a_100150723488_100000182767 [0,1,0,0,1,0|2,0,0]=4 5526 B15R1.579 COCCCNC(=O)C=Cc1cccs1 240690a_100150723488_100000182767 [0,1,0,0,1,0|2,0,0]=4 5527 B15R1.579 COCCCNC(=O)C=Cc1ccoc1 1626a_100150723488_100000238621 [0,1,0,0,1,0|2,0,0]=4 5528 B15R1.579 COCCCNC(=O)C=Cc1ccoc1 240690a_100150723488_100000238621 [0,1,0,0,1,0|2,0,0]=4 5529 B15R1.579 COCCCNC(=O)C=Cc1ccsc1 1626a_100150723488_100000698588 [0,1,0,0,1,0|2,0,0]=4 5530 B15R1.579 COCCCNC(=O)C=Cc1ccsc1 240690a_100150723488_100000698588 [0,1,0,0,1,0|2,0,0]=4 5531 B15R1.579 COCCCNC(=O)C=Cc1ccsc1 527a_100150723488_100000698588 [0,1,0,0,1,0|2,0,0]=4 5532 B15R1.579 CSCCCNC(=O)C=Cc1cccs1 11a_100000749238_100000182767 [0,1,0,0,1,0|2,0,0]=4 5533 B15R1.579 CSCCCNC(=O)C=Cc1cccs1 1626a_100000749238_100000182767 [0,1,0,0,1,0|2,0,0]=4 5534 B15R1.579 CSCCCNC(=O)C=Cc1cccs1 240690a_100000749238_100000182767 [0,1,0,0,1,0|2,0,0]=4 5535 B15R1.579 CSCCCNC(=O)C=Cc1ccoc1 11a_100000749238_100000238621 [0,1,0,0,1,0|2,0,0]=4 5536 B15R1.579 CSCCCNC(=O)C=Cc1ccoc1 1626a_100000749238_100000238621 [0,1,0,0,1,0|2,0,0]=4 5537 B15R1.579 CSCCCNC(=O)C=Cc1ccoc1 240690a_100000749238_100000238621 [0,1,0,0,1,0|2,0,0]=4 5538 B15R1.579 CSCCCNC(=O)C=Cc1ccsc1 11a_100000749238_100000698588 [0,1,0,0,1,0|2,0,0]=4 5539 B15R1.579 CSCCCNC(=O)C=Cc1ccsc1 1626a_100000749238_100000698588 [0,1,0,0,1,0|2,0,0]=4 5540 B15R1.579 CSCCCNC(=O)C=Cc1ccsc1 240690a_100000749238_100000698588 [0,1,0,0,1,0|2,0,0]=4 5541 B15R1.579 CSCCCNC(=O)C=Cc1ccsc1 527a_100000749238_100000698588 [0,1,0,0,1,0|2,0,0]=4 5542 B15R1.579 O=C(C=Cc1cccs1)CCCCCF 1458a_100000182767_100000729378 [0,1,0,0,1,0|2,0,0]=4 5543 B15R1.579 O=C(C=Cc1cccs1)CCCCCO 1458a_100000182767_100000746330 [0,1,0,0,1,0|2,0,0]=4 5544 B15R1.579 O=C(C=Cc1cccs1)NCCCCO 240690a_100000750430_100000182767 [0,1,0,0,1,0|2,0,0]=4 5545 B15R1.579 O=C(C=Cc1ccoc1)CCCCCF 1458a_100000238621_100000729378 [0,1,0,0,1,0|2,0,0]=4 5546 B15R1.579 O=C(C=Cc1ccoc1)CCCCCO 1458a_100000238621_100000746330 [0,1,0,0,1,0|2,0,0]=4 5547 B15R1.579 O=C(C=Cc1ccoc1)NCCCCO 240690a_100000750430_100000238621 [0,1,0,0,1,0|2,0,0]=4 5548 B15R1.579 O=C(C=Cc1ccsc1)CCCCCF 1458a_100000698588_100000729378 [0,1,0,0,1,0|2,0,0]=4 5549 B15R1.579 O=C(C=Cc1ccsc1)CCCCCO 1458a_100000698588_100000746330 [0,1,0,0,1,0|2,0,0]=4 5550 B15R1.579 O=C(C=Cc1ccsc1)NCCCCO 240690a_100000750430_100000698588 [0,1,0,0,1,0|2,0,0]=4 5551 B15R1.579 O=C(C=Cc1ccsc1)NCCCCO 527a_100000750430_100000698588 [0,1,0,0,1,0|2,0,0]=4 5552 B15R1.1021 CCCCCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210326 [0,1,0,0,1,0|2,0,0]=4 5553 B15R1.1021 CCCCNC(=O)C(=Cc1ccco1)C 11a_100000102301_100011995979 [0,1,0,0,1,0|2,0,0]=4 5554 B15R1.1021 CCCCNC(=O)C(=Cc1ccco1)C 1626a_100000102301_100011995979 [0,1,0,0,1,0|2,0,0]=4 5555 B15R1.1021 CCCCNC(=O)C(=Cc1ccco1)C 527a_100000102301_100011995979 [0,1,0,0,1,0|2,0,0]=4 5556 B15R1.1115 CCC(C)CNC(=O)C=Cc1cccs1 11a_100020588543_100000182767 [0,1,0,0,1,0|2,0,0]=4 5557 B15R1.1115 CCC(C)CNC(=O)C=Cc1cccs1 1626a_100020588543_100000182767 [0,1,0,0,1,0|2,0,0]=4 5558 B15R1.1115 CCC(C)CNC(=O)C=Cc1cccs1 240690a_100020588543_100000182767 [0,1,0,0,1,0|2,0,0]=4 5559 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccoc1 11a_100020588543_100000238621 [0,1,0,0,1,0|2,0,0]=4 5560 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccoc1 1626a_100020588543_100000238621 [0,1,0,0,1,0|2,0,0]=4 5561 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccoc1 240690a_100020588543_100000238621 [0,1,0,0,1,0|2,0,0]=4 5562 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 11a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 5563 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 1626a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 5564 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 240690a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 5565 B15R1.1115 CCC(C)CNC(=O)C=Cc1ccsc1 527a_100020588543_100000698588 [0,1,0,0,1,0|2,0,0]=4 5566 B15R1.1115 CCC(O)CNC(=O)C=Cc1cccs1 11a_100011218483_100000182767 [0,1,0,0,1,0|2,0,0]=4 5567 B15R1.1115 CCC(O)CNC(=O)C=Cc1cccs1 240690a_100011218483_100000182767 [0,1,0,0,1,0|2,0,0]=4 5568 B15R1.1115 CCC(O)CNC(=O)C=Cc1ccoc1 11a_100011218483_100000238621 [0,1,0,0,1,0|2,0,0]=4 5569 B15R1.1115 CCC(O)CNC(=O)C=Cc1ccoc1 240690a_100011218483_100000238621 [0,1,0,0,1,0|2,0,0]=4 5570 B15R1.1115 CCC(O)CNC(=O)C=Cc1ccsc1 11a_100011218483_100000698588 [0,1,0,0,1,0|2,0,0]=4 5571 B15R1.1115 CCC(O)CNC(=O)C=Cc1ccsc1 240690a_100011218483_100000698588 [0,1,0,0,1,0|2,0,0]=4 5572 B15R1.1115 CCC(O)CNC(=O)C=Cc1ccsc1 527a_100011218483_100000698588 [0,1,0,0,1,0|2,0,0]=4 5573 B15R1.1250 CCCCC(C)C(=O)C=Cc1cccs1 1458a_100000182767_200011215066 [0,1,0,0,1,0|2,0,0]=4 5574 B15R1.1250 CCCCC(C)C(=O)C=Cc1ccoc1 1458a_100000238621_200011215066 [0,1,0,0,1,0|2,0,0]=4 5575 B15R1.1250 CCCCC(C)C(=O)C=Cc1ccsc1 1458a_100000698588_200011215066 [0,1,0,0,1,0|2,0,0]=4 5576 B15R1.1250 CCCCN(C)C(=O)C=Cc1cccs1 11a_100000207549_100000182767 [0,1,0,0,1,0|2,0,0]=4 5577 B15R1.1250 CCCCN(C)C(=O)C=Cc1cccs1 1626a_100000207549_100000182767 [0,1,0,0,1,0|2,0,0]=4 5578 B15R1.1250 CCCCN(C)C(=O)C=Cc1cccs1 240690a_100000207549_100000182767 [0,1,0,0,1,0|2,0,0]=4 5579 B15R1.1250 CCCCN(C)C(=O)C=Cc1ccoc1 11a_100000207549_100000238621 [0,1,0,0,1,0|2,0,0]=4 5580 B15R1.1250 CCCCN(C)C(=O)C=Cc1ccoc1 1626a_100000207549_100000238621 [0,1,0,0,1,0|2,0,0]=4 5581 B15R1.1250 CCCCN(C)C(=O)C=Cc1ccoc1 240690a_100000207549_100000238621 [0,1,0,0,1,0|2,0,0]=4 5582 B15R1.1250 CCCCN(C)C(=O)C=Cc1ccsc1 11a_100000207549_100000698588 [0,1,0,0,1,0|2,0,0]=4 5583 B15R1.1250 CCCCN(C)C(=O)C=Cc1ccsc1 1626a_100000207549_100000698588 [0,1,0,0,1,0|2,0,0]=4 5584 B15R1.1250 CCCCN(C)C(=O)C=Cc1ccsc1 240690a_100000207549_100000698588 [0,1,0,0,1,0|2,0,0]=4 5585 B15R1.1250 CCCCN(C)C(=O)C=Cc1ccsc1 527a_100000207549_100000698588 [0,1,0,0,1,0|2,0,0]=4 5586 B15R1.1284 CCCC(C)CC(=O)C=Cc1cccs1 1458a_100000182767_100011216630 [0,1,0,0,1,0|2,0,0]=4 5587 B15R1.1284 CCCC(C)CC(=O)C=Cc1ccoc1 1458a_100000238621_100011216630 [0,1,0,0,1,0|2,0,0]=4 5588 B15R1.1284 CCCC(C)CC(=O)C=Cc1ccsc1 1458a_100000698588_100011216630 [0,1,0,0,1,0|2,0,0]=4 5589 B15R1.1284 CCCC(C)NC(=O)C=Cc1cccs1 11a_100000741246_100000182767 [0,1,0,0,1,0|2,0,0]=4 5590 B15R1.1284 CCCC(C)NC(=O)C=Cc1cccs1 1626a_100000741246_100000182767 [0,1,0,0,1,0|2,0,0]=4 5591 B15R1.1284 CCCC(C)NC(=O)C=Cc1cccs1 240690a_100000741246_100000182767 [0,1,0,0,1,0|2,0,0]=4 5592 B15R1.1284 CCCC(C)NC(=O)C=Cc1ccoc1 11a_100000741246_100000238621 [0,1,0,0,1,0|2,0,0]=4 5593 B15R1.1284 CCCC(C)NC(=O)C=Cc1ccoc1 1626a_100000741246_100000238621 [0,1,0,0,1,0|2,0,0]=4 5594 B15R1.1284 CCCC(C)NC(=O)C=Cc1ccoc1 240690a_100000741246_100000238621 [0,1,0,0,1,0|2,0,0]=4 5595 B15R1.1284 CCCC(C)NC(=O)C=Cc1ccsc1 11a_100000741246_100000698588 [0,1,0,0,1,0|2,0,0]=4 5596 B15R1.1284 CCCC(C)NC(=O)C=Cc1ccsc1 1626a_100000741246_100000698588 [0,1,0,0,1,0|2,0,0]=4 5597 B15R1.1284 CCCC(C)NC(=O)C=Cc1ccsc1 240690a_100000741246_100000698588 [0,1,0,0,1,0|2,0,0]=4 5598 B15R1.1284 CCCC(C)NC(=O)C=Cc1ccsc1 527a_100000741246_100000698588 [0,1,0,0,1,0|2,0,0]=4 5599 B15R1.1378 CCCCCC(=O)C=Cc1sccc1C 1458a_100000185125_100000210326 [0,1,0,0,1,0|2,0,0]=4 5600 B15R1.1378 CCCCNC(=O)C=Cc1sccc1C 11a_100000102301_100000185125 [0,1,0,0,1,0|2,0,0]=4 5601 B15R1.1378 CCCCNC(=O)C=Cc1sccc1C 1626a_100000102301_100000185125 [0,1,0,0,1,0|2,0,0]=4 5602 B15R1.1378 CCCCNC(=O)C=Cc1sccc1C 240690a_100000102301_100000185125 [0,1,0,0,1,0|2,0,0]=4 5603 B15R1.1378 CCCCNC(=O)C=Cc1sccc1C 527a_100000102301_100000185125 [0,1,0,0,1,0|2,0,0]=4 5604 B15R1.93 C=C(C(=O)CCCCC)c1ccccc1 1458a_100000065200_100000210326 [0,1,0,0,1,0|1,0,0]=3 5605 B15R1.93 C=C(C(=O)CCCCF)c1ccccc1 1458a_100000065200_100000729493 [0,1,0,0,1,0|2,0,0]=4 5606 B15R1.93 C=C(C(=O)CCCCO)c1ccccc1 1458a_100000065200_100000210776 [0,1,0,0,1,0|2,0,0]=4 5607 B15R1.93 C=C(C(=O)CCCOC)c1ccccc1 1458a_100000065200_100000740836 [0,1,0,0,1,0|2,0,0]=4 5608 B15R1.93 C=C(C(=O)CCOCC)c1ccccc1 1458a_100000065200_100011215890 [0,1,0,0,1,0|2,0,0]=4 5609 B15R1.93 C=C(C(=O)CCSCC)c1ccccc1 1458a_100000065200_100000757381 [0,1,0,0,1,0|2,0,0]=4 5610 B15R1.93 C=C(C(=O)NCCCC)c1ccccc1 1626a_100000102301_100000065200 [0,1,0,0,1,0|1,0,0]=3 5611 B15R1.93 C=C(C(=O)NCCCF)c1ccccc1 1626a_100015189416_100000065200 [0,1,0,0,1,0|2,0,0]=4 5612 B15R1.93 C=C(C(=O)NCCOC)c1ccccc1 1626a_100000209980_100000065200 [0,1,0,0,1,0|2,0,0]=4 5613 B15R1.93 C=C(C(=O)NCCSC)c1ccccc1 1626a_100020590264_100000065200 [0,1,0,0,1,0|2,0,0]=4 5614 B15R1.93 C=C(C(=O)NNCCC)c1ccccc1 22a_100000740057_100000065200 [0,1,0,0,1,0|2,0,0]=4 5615 B15R1.93 CCCCCC(=O)C(C)c1ccccc1 1458a_100000212188_100000230085 [0,1,0,0,1,0|1,0,1]=4 5616 B15R1.93 CCCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210326 [0,1,0,0,1,0|1,0,1]=4 5617 B15R1.93 CCCCCC(=O)N(C)c1ccccc1 11a_100000210012_100000212188 [0,1,0,0,1,0|2,0,0]=4 5618 B15R1.93 CCCCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000212188 [0,1,0,0,1,0|2,0,0]=4 5619 B15R1.93 CCCCCC(=O)N(C)c1ccccc1 22a_100000210012_100000212188 [0,1,0,0,1,0|2,0,0]=4 5620 B15R1.93 CCCCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210326 [0,1,0,0,1,0|1,0,1]=4 5621 B15R1.93 CCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210326 [0,1,0,0,1,0|1,0,1]=4 5622 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 11a_100000102301_100000698975 [0,1,0,0,1,0|1,0,1]=4 5623 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 1626a_100000102301_100000698975 [0,1,0,0,1,0|1,0,1]=4 5624 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 240690a_100000102301_100000698975 [0,1,0,0,1,0|1,0,1]=4 5625 B15R1.93 CCCCNC(=O)C(F)c1ccccc1 527a_100000102301_100000698975 [0,1,0,0,1,0|1,0,1]=4 5626 B15R1.93 CCCCNC(=O)N(C)c1ccccc1 512a_100000102301_100000210012 [0,1,0,0,1,0|2,0,0]=4 5627 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 11a_100000102301_100000751047 [0,1,0,0,1,0|1,0,1]=4 5628 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 1626a_100000102301_100000751047 [0,1,0,0,1,0|1,0,1]=4 5629 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 240690a_100000102301_100000751047 [0,1,0,0,1,0|1,0,1]=4 5630 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 527a_100000102301_100000751047 [0,1,0,0,1,0|1,0,1]=4 5631 B15R1.93 CCCCNC(=O)[C@H](O)c1ccccc1 240690a_100000102301_100000684486 [0,1,0,0,1,0|1,0,1]=4 5632 B15R1.93 CCCCOC(C)C(=O)c1ccccc1 7a_100000210227_100000239700 [0,1,0,0,1,0|1,0,1]=4 5633 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210326 [0,1,0,0,1,0|1,0,1]=4 5634 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Br 1458a_100000212188_100000189115 [0,1,0,0,1,0|1,0,1]=4 5635 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)C 1458a_100000212188_100000210814 [0,1,0,0,1,0|1,0,1]=4 5636 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210326 [0,1,0,0,1,0|1,0,1]=4 5637 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210326 [0,1,0,0,1,0|1,0,1]=4 5638 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000212188_100000694040 [0,1,0,0,1,0|1,0,1]=4 5639 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210326 [0,1,0,0,1,0|1,0,1]=4 5640 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)F 1458a_100000212188_100000198546 [0,1,0,0,1,0|1,0,1]=4 5641 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)I 1458a_100000212188_100000189116 [0,1,0,0,1,0|1,0,1]=4 5642 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210326 [0,1,0,0,1,0|1,0,1]=4 5643 B15R1.128 CCCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210326 [0,1,0,0,1,0|1,0,1]=4 5644 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000212188 [0,1,0,0,1,0|2,0,0]=4 5645 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000212188 [0,1,0,0,1,0|2,0,0]=4 5646 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000212188 [0,1,0,0,1,0|2,0,0]=4 5647 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000212188 [0,1,0,0,1,0|2,0,0]=4 5648 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000212188 [0,1,0,0,1,0|2,0,0]=4 5649 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000212188 [0,1,0,0,1,0|2,0,0]=4 5650 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000212188 [0,1,0,0,1,0|2,0,0]=4 5651 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000212188 [0,1,0,0,1,0|2,0,0]=4 5652 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000212188 [0,1,0,0,1,0|2,0,0]=4 5653 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000212188 [0,1,0,0,1,0|2,0,0]=4 5654 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000212188 [0,1,0,0,1,0|2,0,0]=4 5655 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000212188 [0,1,0,0,1,0|2,0,0]=4 5656 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000212188 [0,1,0,0,1,0|2,0,0]=4 5657 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000212188 [0,1,0,0,1,0|2,0,0]=4 5658 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000212188 [0,1,0,0,1,0|2,0,0]=4 5659 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000212188 [0,1,0,0,1,0|2,0,0]=4 5660 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000212188 [0,1,0,0,1,0|2,0,0]=4 5661 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000212188 [0,1,0,0,1,0|2,0,0]=4 5662 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000212188 [0,1,0,0,1,0|2,0,0]=4 5663 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000212188 [0,1,0,0,1,0|2,0,0]=4 5664 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000212188 [0,1,0,0,1,0|2,0,0]=4 5665 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 11a_100000102301_100000198978 [0,1,0,0,1,0|1,0,1]=4 5666 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 240690a_100000102301_100000198978 [0,1,0,0,1,0|1,0,1]=4 5667 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br 527a_100000102301_100000198978 [0,1,0,0,1,0|1,0,1]=4 5668 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 11a_100000102301_100000212244 [0,1,0,0,1,0|1,0,1]=4 5669 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 240690a_100000102301_100000212244 [0,1,0,0,1,0|1,0,1]=4 5670 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C 527a_100000102301_100000212244 [0,1,0,0,1,0|1,0,1]=4 5671 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 11a_100000102301_100000211027 [0,1,0,0,1,0|1,0,1]=4 5672 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 240690a_100000102301_100000211027 [0,1,0,0,1,0|1,0,1]=4 5673 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl 527a_100000102301_100000211027 [0,1,0,0,1,0|1,0,1]=4 5674 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 11a_100000102301_100000210951 [0,1,0,0,1,0|1,0,1]=4 5675 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 1626a_100000102301_100000210951 [0,1,0,0,1,0|1,0,1]=4 5676 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 240690a_100000102301_100000210951 [0,1,0,0,1,0|1,0,1]=4 5677 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F 527a_100000102301_100000210951 [0,1,0,0,1,0|1,0,1]=4 5678 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 11a_100000102301_100000688869 [0,1,0,0,1,0|1,0,1]=4 5679 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 1626a_100000102301_100000688869 [0,1,0,0,1,0|1,0,1]=4 5680 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 240690a_100000102301_100000688869 [0,1,0,0,1,0|1,0,1]=4 5681 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)I 527a_100000102301_100000688869 [0,1,0,0,1,0|1,0,1]=4 5682 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 1626a_100000102301_100000198540 [0,1,0,0,1,0|1,0,1]=4 5683 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 240690a_100000102301_100000198540 [0,1,0,0,1,0|1,0,1]=4 5684 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)O 527a_100000102301_100000198540 [0,1,0,0,1,0|1,0,1]=4 5685 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000102301 [0,1,0,0,1,0|2,0,0]=4 5686 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100000102301 [0,1,0,0,1,0|2,0,0]=4 5687 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000102301 [0,1,0,0,1,0|2,0,0]=4 5688 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000102301 [0,1,0,0,1,0|2,0,0]=4 5689 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000102301 [0,1,0,0,1,0|2,0,0]=4 5690 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000102301 [0,1,0,0,1,0|2,0,0]=4 5691 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)O 271570a_203496583355_200000163291 [0,1,0,0,1,0|2,0,0]=4 5692 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Br 1458a_100000212188_100000211773 [0,1,0,0,1,0|1,0,1]=4 5693 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210326 [0,1,0,0,1,0|1,0,1]=4 5694 B15R1.129 CCCCCC(=O)Cc1cccc(c1)C 1458a_100000212188_100000211840 [0,1,0,0,1,0|1,0,1]=4 5695 B15R1.129 CCCCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210326 [0,1,0,0,1,0|1,0,1]=4 5696 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Cl 1458a_100000212188_100000181238 [0,1,0,0,1,0|1,0,1]=4 5697 B15R1.129 CCCCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210326 [0,1,0,0,1,0|1,0,1]=4 5698 B15R1.129 CCCCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210326 [0,1,0,0,1,0|1,0,1]=4 5699 B15R1.129 CCCCCC(=O)Cc1cccc(c1)F 1458a_100000212188_100000230114 [0,1,0,0,1,0|1,0,1]=4 5700 B15R1.129 CCCCCC(=O)Cc1cccc(c1)I 1458a_100000212188_100011218688 [0,1,0,0,1,0|1,0,1]=4 5701 B15R1.129 CCCCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210326 [0,1,0,0,1,0|1,0,1]=4 5702 B15R1.129 CCCCCC(=O)Cc1cccc(c1)O 1458a_100000212188_100011660834 [0,1,0,0,1,0|1,0,1]=4 5703 B15R1.129 CCCCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210326 [0,1,0,0,1,0|1,0,1]=4 5704 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000212188 [0,1,0,0,1,0|2,0,0]=4 5705 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000212188 [0,1,0,0,1,0|2,0,0]=4 5706 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000212188 [0,1,0,0,1,0|2,0,0]=4 5707 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000212188 [0,1,0,0,1,0|2,0,0]=4 5708 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000212188 [0,1,0,0,1,0|2,0,0]=4 5709 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000212188 [0,1,0,0,1,0|2,0,0]=4 5710 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000212188 [0,1,0,0,1,0|2,0,0]=4 5711 B15R1.129 CCCCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000212188 [0,1,0,0,1,0|2,0,0]=4 5712 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000212188 [0,1,0,0,1,0|2,0,0]=4 5713 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000212188 [0,1,0,0,1,0|2,0,0]=4 5714 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000212188 [0,1,0,0,1,0|2,0,0]=4 5715 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000212188 [0,1,0,0,1,0|2,0,0]=4 5716 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000212188 [0,1,0,0,1,0|2,0,0]=4 5717 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000212188 [0,1,0,0,1,0|2,0,0]=4 5718 B15R1.129 CCCCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000212188 [0,1,0,0,1,0|2,0,0]=4 5719 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000212188 [0,1,0,0,1,0|2,0,0]=4 5720 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000212188 [0,1,0,0,1,0|2,0,0]=4 5721 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000212188 [0,1,0,0,1,0|2,0,0]=4 5722 B15R1.129 CCCCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000212188 [0,1,0,0,1,0|2,0,0]=4 5723 B15R1.129 CCCCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000212188 [0,1,0,0,1,0|2,0,0]=4 5724 B15R1.129 CCCCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000212188 [0,1,0,0,1,0|2,0,0]=4 5725 B15R1.129 CCCCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000212188 [0,1,0,0,1,0|2,0,0]=4 5726 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br 11a_100000102301_100000747190 [0,1,0,0,1,0|1,0,1]=4 5727 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br 240690a_100000102301_100000747190 [0,1,0,0,1,0|1,0,1]=4 5728 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br 527a_100000102301_100000747190 [0,1,0,0,1,0|1,0,1]=4 5729 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 11a_100000102301_100011206899 [0,1,0,0,1,0|1,0,1]=4 5730 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 1626a_100000102301_100011206899 [0,1,0,0,1,0|1,0,1]=4 5731 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 240690a_100000102301_100011206899 [0,1,0,0,1,0|1,0,1]=4 5732 B15R1.129 CCCCNC(=O)Cc1cccc(c1)C 527a_100000102301_100011206899 [0,1,0,0,1,0|1,0,1]=4 5733 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 11a_100000102301_100000749307 [0,1,0,0,1,0|1,0,1]=4 5734 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 1626a_100000102301_100000749307 [0,1,0,0,1,0|1,0,1]=4 5735 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 240690a_100000102301_100000749307 [0,1,0,0,1,0|1,0,1]=4 5736 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl 527a_100000102301_100000749307 [0,1,0,0,1,0|1,0,1]=4 5737 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 11a_100000102301_100000211661 [0,1,0,0,1,0|1,0,1]=4 5738 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 1626a_100000102301_100000211661 [0,1,0,0,1,0|1,0,1]=4 5739 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 240690a_100000102301_100000211661 [0,1,0,0,1,0|1,0,1]=4 5740 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F 527a_100000102301_100000211661 [0,1,0,0,1,0|1,0,1]=4 5741 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 11a_100000102301_100000238430 [0,1,0,0,1,0|1,0,1]=4 5742 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 1626a_100000102301_100000238430 [0,1,0,0,1,0|1,0,1]=4 5743 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 240690a_100000102301_100000238430 [0,1,0,0,1,0|1,0,1]=4 5744 B15R1.129 CCCCNC(=O)Cc1cccc(c1)I 527a_100000102301_100000238430 [0,1,0,0,1,0|1,0,1]=4 5745 B15R1.129 CCCCNC(=O)Cc1cccc(c1)O 240690a_100000102301_100000745134 [0,1,0,0,1,0|1,0,1]=4 5746 B15R1.129 CCCCNC(=O)Cc1cccc(c1)O 527a_100000102301_100000745134 [0,1,0,0,1,0|1,0,1]=4 5747 B15R1.129 CCCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000102301 [0,1,0,0,1,0|2,0,0]=4 5748 B15R1.129 CCCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000102301 [0,1,0,0,1,0|2,0,0]=4 5749 B15R1.129 CCCCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100000102301 [0,1,0,0,1,0|2,0,0]=4 5750 B15R1.129 CCCCNC(=O)Nc1cccc(c1)C 512a_100000188690_100000102301 [0,1,0,0,1,0|2,0,0]=4 5751 B15R1.129 CCCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000102301 [0,1,0,0,1,0|2,0,0]=4 5752 B15R1.129 CCCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000102301 [0,1,0,0,1,0|2,0,0]=4 5753 B15R1.129 CCCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100000102301 [0,1,0,0,1,0|2,0,0]=4 5754 B15R1.129 CCCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000102301 [0,1,0,0,1,0|2,0,0]=4 5755 B15R1.129 CCCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100000102301 [0,1,0,0,1,0|2,0,0]=4 5756 B15R1.129 CCCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000102301 [0,1,0,0,1,0|2,0,0]=4 5757 B15R1.129 CCCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100000102301 [0,1,0,0,1,0|2,0,0]=4 5758 B15R1.129 CNCCOC(=O)Nc1cccc(c1)Br 34a_100102657272_100015757870 [0,1,0,0,1,0|2,0,0]=4 5759 B15R1.129 CNCCOC(=O)Nc1cccc(c1)Br 7a_106832991635_100015757870 [0,1,0,0,1,0|2,0,0]=4 5760 B15R1.129 COCCOC(=O)Nc1cccc(c1)Br 34a_100138415774_100015757870 [0,1,0,0,1,0|2,0,0]=4 5761 B15R1.129 CSCCOC(=O)Nc1cccc(c1)Br 62a_200000210301_100015757870 [0,1,0,0,1,0|2,0,0]=4 5762 B15R1.129 [13CH3]SCCOC(=O)Nc1cccc(c1)Br 62a_200025704644_100015757870 [0,1,0,0,1,0|2,0,0]=4 5763 B15R1.809 CCCC(C)CC(=O)Cc1ccccc1 1458a_100000748435_100015291786 [0,1,0,0,1,0|1,0,1]=4 5764 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000748435 [0,1,0,0,1,0|2,0,0]=4 5765 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000748435 [0,1,0,0,1,0|2,0,0]=4 5766 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000748435 [0,1,0,0,1,0|2,0,0]=4 5767 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000748435 [0,1,0,0,1,0|2,0,0]=4 5768 B15R1.809 CCCC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000741246 [0,1,0,0,1,0|2,0,0]=4 5769 B15R1.964 CCC(C)CCC(=O)Cc1ccccc1 1458a_100000701222_100015291786 [0,1,0,0,1,0|1,0,1]=4 5770 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 5771 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 5772 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 5773 B15R1.964 CCC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000701222 [0,1,0,0,1,0|2,0,0]=4 5774 B15R1.964 CCC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100020588543 [0,1,0,0,1,0|2,0,0]=4 5775 B15R1.964 CCC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_203496584001 [0,1,0,0,1,0|2,0,0]=4 5776 B15R1.964 CCC(O)CCC(=O)Nc1ccccc1 22a_100000106764_203496584001 [0,1,0,0,1,0|2,0,0]=4 5777 B15R1.964 CCC(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100011218483 [0,1,0,0,1,0|2,0,0]=4 5778 B15R1.1081 CC(C)CCCC(=O)Cc1ccccc1 1458a_100011216857_100015291786 [0,1,0,0,1,0|1,0,1]=4 5779 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 11a_100000106764_100011216857 [0,1,0,0,1,0|2,0,0]=4 5780 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 1626a_100000106764_100011216857 [0,1,0,0,1,0|2,0,0]=4 5781 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 22a_100000106764_100011216857 [0,1,0,0,1,0|2,0,0]=4 5782 B15R1.1081 CC(C)CCCC(=O)Nc1ccccc1 527a_100000106764_100011216857 [0,1,0,0,1,0|2,0,0]=4 5783 B15R1.1081 CC(C)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000210545 [0,1,0,0,1,0|2,0,0]=4 5784 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 1626a_100000106764_100000761597 [0,1,0,0,1,0|2,0,0]=4 5785 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 22a_100000106764_100000761597 [0,1,0,0,1,0|2,0,0]=4 5786 B15R1.1081 CC(O)CCCC(=O)Nc1ccccc1 527a_100000106764_100000761597 [0,1,0,0,1,0|2,0,0]=4 5787 B15R1.1081 CC(O)CCNC(=O)Nc1ccccc1 2430a_100000106764_200000755665 [0,1,0,0,1,0|2,0,0]=4 5788 B15R1.1409 CCCCCC(=O)Cc1ccccc1Br 1458a_100000212188_100000184730 [0,1,0,0,1,0|1,0,1]=4 5789 B15R1.1409 CCCCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210326 [0,1,0,0,1,0|1,0,1]=4 5790 B15R1.1409 CCCCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210326 [0,1,0,0,1,0|1,0,1]=4 5791 B15R1.1409 CCCCCC(=O)Cc1ccccc1C 1458a_100000212188_100000211839 [0,1,0,0,1,0|1,0,1]=4 5792 B15R1.1409 CCCCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210326 [0,1,0,0,1,0|1,0,1]=4 5793 B15R1.1409 CCCCCC(=O)Cc1ccccc1Cl 1458a_100000212188_100000187162 [0,1,0,0,1,0|1,0,1]=4 5794 B15R1.1409 CCCCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210326 [0,1,0,0,1,0|1,0,1]=4 5795 B15R1.1409 CCCCCC(=O)Cc1ccccc1F 1458a_100000212188_100000187165 [0,1,0,0,1,0|1,0,1]=4 5796 B15R1.1409 CCCCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210326 [0,1,0,0,1,0|1,0,1]=4 5797 B15R1.1409 CCCCCC(=O)Cc1ccccc1I 1458a_100000212188_100011216222 [0,1,0,0,1,0|1,0,1]=4 5798 B15R1.1409 CCCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210326 [0,1,0,0,1,0|1,0,1]=4 5799 B15R1.1409 CCCCCC(=O)Nc1ccccc1Br 11a_100000210017_100000212188 [0,1,0,0,1,0|2,0,0]=4 5800 B15R1.1409 CCCCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000212188 [0,1,0,0,1,0|2,0,0]=4 5801 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 11a_100015192222_100000212188 [0,1,0,0,1,0|2,0,0]=4 5802 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 1626a_100015192222_100000212188 [0,1,0,0,1,0|2,0,0]=4 5803 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 22a_100015192222_100000212188 [0,1,0,0,1,0|2,0,0]=4 5804 B15R1.1409 CCCCCC(=O)Nc1ccccc1C 527a_100015192222_100000212188 [0,1,0,0,1,0|2,0,0]=4 5805 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000212188 [0,1,0,0,1,0|2,0,0]=4 5806 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000212188 [0,1,0,0,1,0|2,0,0]=4 5807 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000212188 [0,1,0,0,1,0|2,0,0]=4 5808 B15R1.1409 CCCCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000212188 [0,1,0,0,1,0|2,0,0]=4 5809 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 11a_100000210422_100000212188 [0,1,0,0,1,0|2,0,0]=4 5810 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 1626a_100000210422_100000212188 [0,1,0,0,1,0|2,0,0]=4 5811 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 22a_100000210422_100000212188 [0,1,0,0,1,0|2,0,0]=4 5812 B15R1.1409 CCCCCC(=O)Nc1ccccc1F 527a_100000210422_100000212188 [0,1,0,0,1,0|2,0,0]=4 5813 B15R1.1409 CCCCCC(=O)Nc1ccccc1I 11a_100000210053_100000212188 [0,1,0,0,1,0|2,0,0]=4 5814 B15R1.1409 CCCCCC(=O)Nc1ccccc1I 1626a_100000210053_100000212188 [0,1,0,0,1,0|2,0,0]=4 5815 B15R1.1409 CCCCCC(=O)Nc1ccccc1O 22a_100000185747_100000212188 [0,1,0,0,1,0|2,0,0]=4 5816 B15R1.1409 CCCCCC(=O)Nc1ccccc1O 527a_100000185747_100000212188 [0,1,0,0,1,0|2,0,0]=4 5817 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br 11a_100000102301_100000751119 [0,1,0,0,1,0|1,0,1]=4 5818 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br 240690a_100000102301_100000751119 [0,1,0,0,1,0|1,0,1]=4 5819 B15R1.1409 CCCCNC(=O)Cc1ccccc1Br 527a_100000102301_100000751119 [0,1,0,0,1,0|1,0,1]=4 5820 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 11a_100000102301_100000212180 [0,1,0,0,1,0|1,0,1]=4 5821 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 1626a_100000102301_100000212180 [0,1,0,0,1,0|1,0,1]=4 5822 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 240690a_100000102301_100000212180 [0,1,0,0,1,0|1,0,1]=4 5823 B15R1.1409 CCCCNC(=O)Cc1ccccc1C 527a_100000102301_100000212180 [0,1,0,0,1,0|1,0,1]=4 5824 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 11a_100000102301_100000183793 [0,1,0,0,1,0|1,0,1]=4 5825 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 1626a_100000102301_100000183793 [0,1,0,0,1,0|1,0,1]=4 5826 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 240690a_100000102301_100000183793 [0,1,0,0,1,0|1,0,1]=4 5827 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl 527a_100000102301_100000183793 [0,1,0,0,1,0|1,0,1]=4 5828 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 11a_100000102301_100000212012 [0,1,0,0,1,0|1,0,1]=4 5829 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 1626a_100000102301_100000212012 [0,1,0,0,1,0|1,0,1]=4 5830 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 240690a_100000102301_100000212012 [0,1,0,0,1,0|1,0,1]=4 5831 B15R1.1409 CCCCNC(=O)Cc1ccccc1F 527a_100000102301_100000212012 [0,1,0,0,1,0|1,0,1]=4 5832 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 11a_100000102301_100000036491 [0,1,0,0,1,0|1,0,1]=4 5833 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 1626a_100000102301_100000036491 [0,1,0,0,1,0|1,0,1]=4 5834 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 240690a_100000102301_100000036491 [0,1,0,0,1,0|1,0,1]=4 5835 B15R1.1409 CCCCNC(=O)Cc1ccccc1I 527a_100000102301_100000036491 [0,1,0,0,1,0|1,0,1]=4 5836 B15R1.1409 CCCCNC(=O)Cc1ccccc1O 240690a_100000102301_100000743006 [0,1,0,0,1,0|1,0,1]=4 5837 B15R1.1409 CCCCNC(=O)Cc1ccccc1O 527a_100000102301_100000743006 [0,1,0,0,1,0|1,0,1]=4 5838 B15R1.1409 CCCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100000102301 [0,1,0,0,1,0|2,0,0]=4 5839 B15R1.1409 CCCCNC(=O)Nc1ccccc1C 2430a_100015192222_100000102301 [0,1,0,0,1,0|2,0,0]=4 5840 B15R1.1409 CCCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000102301 [0,1,0,0,1,0|2,0,0]=4 5841 B15R1.1409 CCCCNC(=O)Nc1ccccc1F 2430a_100000210422_100000102301 [0,1,0,0,1,0|2,0,0]=4 5842 B15R1.1409 CCCCNC(=O)Nc1ccccc1I 2430a_100000210053_100000102301 [0,1,0,0,1,0|2,0,0]=4 5843 B15R1.1409 CCCCNC(=O)Nc1ccccc1O 2430a_100000185747_100000102301 [0,1,0,0,1,0|2,0,0]=4 5844 B15R1.1409 CNCCOC(=O)Nc1ccccc1Br 34a_100102657272_100020589338 [0,1,0,0,1,0|2,0,0]=4 5845 B15R1.1409 CNCCOC(=O)Nc1ccccc1Br 7a_106832991635_100020589338 [0,1,0,0,1,0|2,0,0]=4 5846 B15R1.1409 CNCCOC(=O)Nc1ccccc1Cl 34a_100102657272_200000178450 [0,1,0,0,1,0|2,0,0]=4 5847 B15R1.1409 CNCCOC(=O)Nc1ccccc1Cl 7a_106832991635_200000178450 [0,1,0,0,1,0|2,0,0]=4 5848 B15R1.1409 COCCOC(=O)Nc1ccccc1Br 34a_100138415774_100020589338 [0,1,0,0,1,0|2,0,0]=4 5849 B15R1.1409 COCCOC(=O)Nc1ccccc1Cl 34a_100138415774_200000178450 [0,1,0,0,1,0|2,0,0]=4 5850 B15R1.1409 CSCCOC(=O)Nc1ccccc1Br 62a_100020589338_200000210301 [0,1,0,0,1,0|2,0,0]=4 5851 B15R1.1409 CSCCOC(=O)Nc1ccccc1Br 62a_200000210301_100020589338 [0,1,0,0,1,0|2,0,0]=4 5852 B15R1.1409 CSCCOC(=O)Nc1ccccc1Cl 62a_200000210301_200000178450 [0,1,0,0,1,0|2,0,0]=4 5853 B15R1.1409 [13CH3]SCCOC(=O)Nc1ccccc1Br 62a_100020589338_200025704644 [0,1,0,0,1,0|2,0,0]=4 5854 B15R1.1409 [13CH3]SCCOC(=O)Nc1ccccc1Br 62a_200025704644_100020589338 [0,1,0,0,1,0|2,0,0]=4 5855 B15R1.1409 [13CH3]SCCOC(=O)Nc1ccccc1Cl 62a_200025704644_200000178450 [0,1,0,0,1,0|2,0,0]=4 5856 B17R1.4 CCCCCC(=O)NN=Cc1ccc(cc1)Br 4a_100000189784_100000186029 [0,1,0,0,0,1|2,0,0]=4 5857 B17R1.4 CCCCCC(=O)NN=Cc1ccc(cc1)C 4a_100000189784_100000211033 [0,1,0,0,0,1|2,0,0]=4 5858 B17R1.4 CCCCCC(=O)NN=Cc1ccc(cc1)Cl 4a_100000189784_100000189385 [0,1,0,0,0,1|2,0,0]=4 5859 B17R1.4 CCCCCC(=O)NN=Cc1ccc(cc1)F 4a_100000189784_100000210084 [0,1,0,0,0,1|2,0,0]=4 5860 B17R1.4 CCCCCC(=O)NN=Cc1ccc(cc1)I 4a_100000189784_100000188517 [0,1,0,0,0,1|2,0,0]=4 5861 B17R1.4 CCCCCC(=O)NN=Cc1ccc(cc1)O 4a_100000189784_100000185832 [0,1,0,0,0,1|2,0,0]=4 5862 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000211628 [0,1,0,0,0,1|0,0,2]=4 5863 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000211628 [0,1,0,0,0,1|0,0,2]=4 5864 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000211628 [0,1,0,0,0,1|0,0,2]=4 5865 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000211628 [0,1,0,0,0,1|0,0,2]=4 5866 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000211628 [0,1,0,0,0,1|0,0,2]=4 5867 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000211628 [0,1,0,0,0,1|0,0,2]=4 5868 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000211628 [0,1,0,0,0,1|0,0,2]=4 5869 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000211628 [0,1,0,0,0,1|0,0,2]=4 5870 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000211628 [0,1,0,0,0,1|0,0,2]=4 5871 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000211628 [0,1,0,0,0,1|0,0,2]=4 5872 B17R1.4 CCCCOC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000211628 [0,1,0,0,0,1|0,0,2]=4 5873 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000211628 [0,1,0,0,0,1|0,0,2]=4 5874 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)C 34a_100011215236_100000211628 [0,1,0,0,0,1|0,0,2]=4 5875 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)C 7a_100011215236_100000211628 [0,1,0,0,0,1|0,0,2]=4 5876 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000211628 [0,1,0,0,0,1|0,0,2]=4 5877 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000211628 [0,1,0,0,0,1|0,0,2]=4 5878 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)F 34a_100000210977_100000211628 [0,1,0,0,0,1|0,0,2]=4 5879 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)F 7a_100000210977_100000211628 [0,1,0,0,0,1|0,0,2]=4 5880 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)I 34a_100000690907_100000211628 [0,1,0,0,0,1|0,0,2]=4 5881 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)I 7a_100000690907_100000211628 [0,1,0,0,0,1|0,0,2]=4 5882 B17R1.4 CCCCOC(=O)COCc1ccc(cc1)N 34a_100011215238_100000211628 [0,1,0,0,0,1|0,0,2]=4 5883 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000211628 [0,1,0,0,0,1|0,0,2]=4 5884 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)Br 62a_100000211628_100000189115 [0,1,0,0,0,1|0,0,2]=4 5885 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000211628 [0,1,0,0,0,1|0,0,2]=4 5886 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)C 62a_100000211628_100000210814 [0,1,0,0,0,1|0,0,2]=4 5887 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000211628 [0,1,0,0,0,1|0,0,2]=4 5888 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)Cl 62a_100000211628_100000187161 [0,1,0,0,0,1|0,0,2]=4 5889 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000211628 [0,1,0,0,0,1|0,0,2]=4 5890 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)F 62a_100000211628_100000187164 [0,1,0,0,0,1|0,0,2]=4 5891 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000211628 [0,1,0,0,0,1|0,0,2]=4 5892 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)I 62a_100000211628_100000189116 [0,1,0,0,0,1|0,0,2]=4 5893 B17R1.1299 CCCCCC(=O)CCC(=O)c1ccccc1 1458a_100000212188_100000750707 [0,1,0,0,0,1|1,0,1]=4 5894 B17R1.1299 CCCCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210326 [0,1,0,0,0,1|1,0,1]=4 5895 B17R1.1299 CCCCCC(=O)COC(=O)c1ccccc1 1458a_100000212188_100000073877 [0,1,0,0,0,1|1,0,1]=4 5896 B17R1.1299 CCCCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210326 [0,1,0,0,0,1|1,0,1]=4 5897 B17R1.1299 CCCCCC(=O)NN=C(C)c1ccccc1 4a_100000189784_100000185851 [0,1,0,0,0,1|2,0,0]=4 5898 B17R1.1299 CCCCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000212188 [0,1,0,0,0,1|2,0,0]=4 5899 B17R1.1299 CCCCCC(=O)NNC(=O)c1ccccc1 22a_100000189784_100000185807 [0,1,0,0,0,1|2,0,0]=4 5900 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 11a_100000102301_100000182045 [0,1,0,0,0,1|1,0,1]=4 5901 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 1626a_100000102301_100000182045 [0,1,0,0,0,1|1,0,1]=4 5902 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 240690a_100000102301_100000182045 [0,1,0,0,0,1|1,0,1]=4 5903 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 527a_100000102301_100000182045 [0,1,0,0,0,1|1,0,1]=4 5904 B17R1.1299 CCCCNC(=O)CSC(=S)c1ccccc1 1626a_100000102301_100000043459 [0,1,0,0,0,1|1,0,1]=4 5905 B17R1.1299 CCCCNC(=O)CSC(=S)c1ccccc1 240690a_100000102301_100000043459 [0,1,0,0,0,1|1,0,1]=4 5906 B17R1.1299 CCCCNC(=O)CSC(=S)c1ccccc1 527a_100000102301_100000043459 [0,1,0,0,0,1|1,0,1]=4 5907 B17R1.1299 CCCCNC(=O)NNC(=O)c1ccccc1 273464a_100000102301_100000184135 [0,1,0,0,0,1|2,0,0]=4 5908 B17R1.1299 CCCCNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100000102301 [0,1,0,0,0,1|2,0,0]=4 5909 B17R1.1299 CCCCOC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000211628 [0,1,0,0,0,1|0,0,2]=4 5910 B17R1.1299 CCCCOC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000211628 [0,1,0,0,0,1|0,0,2]=4 5911 B17R1.1299 CCCCOC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000211628 [0,1,0,0,0,1|0,0,2]=4 5912 B17R1.1299 CCCCOC(=O)CSC(C)c1ccccc1 62a_100000211628_100000230085 [0,1,0,0,0,1|0,0,2]=4 5913 B17R1.1299 CCCCOC(=O)CSC(C)c1ccccc1 62a_100000230085_100000211628 [0,1,0,0,0,1|0,0,2]=4 5914 B17R1.1832 CCCCCC(=O)NN=Cc1cccc(c1)Br 4a_100000189784_100000210085 [0,1,0,0,0,1|2,0,0]=4 5915 B17R1.1832 CCCCCC(=O)NN=Cc1cccc(c1)C 4a_100000189784_100000211157 [0,1,0,0,0,1|2,0,0]=4 5916 B17R1.1832 CCCCCC(=O)NN=Cc1cccc(c1)Cl 4a_100000189784_100000210801 [0,1,0,0,0,1|2,0,0]=4 5917 B17R1.1832 CCCCCC(=O)NN=Cc1cccc(c1)F 4a_100000189784_100000210812 [0,1,0,0,0,1|2,0,0]=4 5918 B17R1.1832 CCCCCC(=O)NN=Cc1cccc(c1)I 4a_100000189784_100000014684 [0,1,0,0,0,1|2,0,0]=4 5919 B17R1.1832 CCCCCC(=O)NN=Cc1cccc(c1)O 4a_100000189784_100000188321 [0,1,0,0,0,1|2,0,0]=4 5920 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000211628 [0,1,0,0,0,1|0,0,2]=4 5921 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000211628 [0,1,0,0,0,1|0,0,2]=4 5922 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000211628 [0,1,0,0,0,1|0,0,2]=4 5923 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)C 34a_100000185548_100000211628 [0,1,0,0,0,1|0,0,2]=4 5924 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000211628 [0,1,0,0,0,1|0,0,2]=4 5925 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000211628 [0,1,0,0,0,1|0,0,2]=4 5926 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000211628 [0,1,0,0,0,1|0,0,2]=4 5927 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)F 34a_100000174948_100000211628 [0,1,0,0,0,1|0,0,2]=4 5928 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000211628 [0,1,0,0,0,1|0,0,2]=4 5929 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)I 34a_100000106179_100000211628 [0,1,0,0,0,1|0,0,2]=4 5930 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000211628 [0,1,0,0,0,1|0,0,2]=4 5931 B17R1.1832 CCCCOC(=O)CNCc1cccc(c1)O 34a_100000743036_100000211628 [0,1,0,0,0,1|0,0,2]=4 5932 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)Br 34a_100000687537_100000211628 [0,1,0,0,0,1|0,0,2]=4 5933 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)Br 7a_100000687537_100000211628 [0,1,0,0,0,1|0,0,2]=4 5934 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)C 34a_100011217746_100000211628 [0,1,0,0,0,1|0,0,2]=4 5935 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)C 7a_100011217746_100000211628 [0,1,0,0,0,1|0,0,2]=4 5936 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000211628 [0,1,0,0,0,1|0,0,2]=4 5937 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000211628 [0,1,0,0,0,1|0,0,2]=4 5938 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)F 34a_100000210976_100000211628 [0,1,0,0,0,1|0,0,2]=4 5939 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)F 7a_100000210976_100000211628 [0,1,0,0,0,1|0,0,2]=4 5940 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)I 34a_100011215336_100000211628 [0,1,0,0,0,1|0,0,2]=4 5941 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)I 7a_100011215336_100000211628 [0,1,0,0,0,1|0,0,2]=4 5942 B17R1.1832 CCCCOC(=O)COCc1cccc(c1)N 34a_100000211919_100000211628 [0,1,0,0,0,1|0,0,2]=4 5943 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)Br 62a_100000211628_100000211773 [0,1,0,0,0,1|0,0,2]=4 5944 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000211628 [0,1,0,0,0,1|0,0,2]=4 5945 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)C 62a_100000211628_100000211840 [0,1,0,0,0,1|0,0,2]=4 5946 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)C 62a_100000211840_100000211628 [0,1,0,0,0,1|0,0,2]=4 5947 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000211628 [0,1,0,0,0,1|0,0,2]=4 5948 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)Cl 62a_100000211628_100000187163 [0,1,0,0,0,1|0,0,2]=4 5949 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)F 62a_100000211628_100000230114 [0,1,0,0,0,1|0,0,2]=4 5950 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)F 62a_100000230114_100000211628 [0,1,0,0,0,1|0,0,2]=4 5951 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)I 62a_100000211628_100011218688 [0,1,0,0,0,1|0,0,2]=4 5952 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)I 62a_100011218688_100000211628 [0,1,0,0,0,1|0,0,2]=4 5953 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)O 62a_100000211628_100011660834 [0,1,0,0,0,1|0,0,2]=4 5954 B17R1.1832 CCCCOC(=O)CSCc1cccc(c1)O 62a_100011660834_100000211628 [0,1,0,0,0,1|0,0,2]=4 5955 B17R1.1889 CCCCCC(=O)CC(=O)Cc1ccccc1 1458a_100000212188_100000233483 [0,1,0,0,0,1|1,0,1]=4 5956 B17R1.1889 CCCCCC(=O)CC(=O)Nc1ccccc1 1458a_100000212188_100000182850 [0,1,0,0,0,1|1,0,1]=4 5957 B17R1.1889 CCCCCC(=O)CC(=O)Oc1ccccc1 1458a_100000212188_100009813826 [0,1,0,0,0,1|1,0,1]=4 5958 B17R1.1889 CCCCNC(=O)CC(=O)Oc1ccccc1 240690a_100000102301_200000075362 [0,1,0,0,0,1|1,0,1]=4 5959 B17R1.1889 CCCCOC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000211628 [0,1,0,0,0,1|1,0,1]=4 5960 B17R1.1889 CCCCOC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000211628 [0,1,0,0,0,1|1,0,1]=4 5961 B17R1.1889 CCCCOC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000211628 [0,1,0,0,0,1|1,0,1]=4 5962 B17R1.1889 CCCCOC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000211628 [0,1,0,0,0,1|0,0,2]=4 5963 B17R1.1889 CCCCOC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000211628 [0,1,0,0,0,1|0,0,2]=4 5964 B17R1.1909 CCCCOC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000759602 [0,1,0,0,0,1|0,0,2]=4 5965 B17R1.1909 CCCCOC(=O)C(C)NCc1ccccc1 34a_100015324214_100000759602 [0,1,0,0,0,1|0,0,2]=4 5966 B17R1.1909 CCCCOC(=O)C(C)OCc1ccccc1 34a_100000038973_100015291786 [0,1,0,0,0,1|0,0,2]=4 5967 B17R1.1909 CCCCOC(=O)C(C)OCc1ccccc1 34a_100000210790_100000759602 [0,1,0,0,0,1|0,0,2]=4 5968 B17R1.1909 CCCCOC(=O)C(C)OCc1ccccc1 7a_100000038973_100000211182 [0,1,0,0,0,1|0,0,2]=4 5969 B17R1.1909 CCCCOC(=O)C(C)OCc1ccccc1 7a_100000210790_100000759602 [0,1,0,0,0,1|0,0,2]=4 5970 B17R1.1909 CCCCOC(=O)C(C)SCc1ccccc1 62a_100000211182_100000759602 [0,1,0,0,0,1|0,0,2]=4 5971 B17R1.1909 CCCCOC(=O)C(C)SCc1ccccc1 62a_100000759602_100015291786 [0,1,0,0,0,1|0,0,2]=4 5972 B17R1.7823 C#CCCCCC(=O)C/C=C/c1ccccc1 1458a_100000696528_100016265936 [0,1,0,0,0,1|1,0,1]=4 5973 B17R1.7823 C#CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100010269958 [0,1,0,0,0,1|1,0,1]=4 5974 B17R1.7823 C#CCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100010269958 [0,1,0,0,0,1|1,0,1]=4 5975 B17R1.7823 C#CCCCNC(=O)C/C=C/c1ccccc1 11a_100000718082_100011219626 [0,1,0,0,0,1|1,0,1]=4 5976 B17R1.7823 C#CCCCNC(=O)C/C=C/c1ccccc1 1626a_100000718082_100011219626 [0,1,0,0,0,1|1,0,1]=4 5977 B17R1.7823 C#CCCCNC(=O)C/C=C/c1ccccc1 240690a_100000718082_100011219626 [0,1,0,0,0,1|1,0,1]=4 5978 B17R1.7823 C#CCCCNC(=O)C=CSc1ccccc1 11a_100000718082_100016262050 [0,1,0,0,0,1|1,0,1]=4 5979 B17R1.7823 C#CCCCNC(=O)C=CSc1ccccc1 1626a_100000718082_100016262050 [0,1,0,0,0,1|1,0,1]=4 5980 B17R1.7823 C#CCCCNC(=O)C=CSc1ccccc1 240690a_100000718082_100016262050 [0,1,0,0,0,1|1,0,1]=4 5981 B17R1.7823 C=CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011215552_100016265936 [0,1,0,0,0,1|1,0,1]=4 5982 B17R1.7823 C=CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215482 [0,1,0,0,0,1|1,0,1]=4 5983 B17R1.7823 C=CCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215482 [0,1,0,0,0,1|1,0,1]=4 5984 B17R1.7823 C=CCCCNC(=O)C/C=C/c1ccccc1 11a_100000700776_100011219626 [0,1,0,0,0,1|1,0,1]=4 5985 B17R1.7823 C=CCCCNC(=O)C/C=C/c1ccccc1 1626a_100000700776_100011219626 [0,1,0,0,0,1|1,0,1]=4 5986 B17R1.7823 C=CCCCNC(=O)C/C=C/c1ccccc1 240690a_100000700776_100011219626 [0,1,0,0,0,1|1,0,1]=4 5987 B17R1.7823 C=CCCCNC(=O)C=CSc1ccccc1 11a_100000700776_100016262050 [0,1,0,0,0,1|1,0,1]=4 5988 B17R1.7823 C=CCCCNC(=O)C=CSc1ccccc1 1626a_100000700776_100016262050 [0,1,0,0,0,1|1,0,1]=4 5989 B17R1.7823 C=CCCCNC(=O)C=CSc1ccccc1 240690a_100000700776_100016262050 [0,1,0,0,0,1|1,0,1]=4 5990 B17R1.7823 CC/C=C\CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100015370543 [0,1,0,0,0,1|1,0,1]=4 5991 B17R1.7823 CC/C=C\CCC(=O)C=CSc1ccccc1 1458a_100016262050_100015370543 [0,1,0,0,0,1|1,0,1]=4 5992 B17R1.7823 CCC/C=C/CC(=O)C/C=C/c1ccccc1 1458a_200016266809_100016265936 [0,1,0,0,0,1|1,0,1]=4 5993 B17R1.7823 CCCCC=CC(=O)C/C=C/c1ccccc1 1458a_100016266645_100016265936 [0,1,0,0,0,1|1,0,0]=3 5994 B17R1.7823 CCCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210757 [0,1,0,0,0,1|1,0,0]=3 5995 B17R1.7823 CCCCCCC(=O)C/C=C/c1ccccc1 1458a_100102632555_100016265936 [0,1,0,0,0,1|1,0,0]=3 5996 B17R1.7823 CCCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210757 [0,1,0,0,0,1|1,0,0]=3 5997 B17R1.7823 CCCCCCC(=O)NN=Cc1ccccc1 4a_100011221127_100015611070 [0,1,0,0,0,1|2,0,0]=4 5998 B17R1.7823 CCCCCNC(=O)C/C=C/c1ccccc1 11a_100000209983_100011219626 [0,1,0,0,0,1|1,0,0]=3 5999 B17R1.7823 CCCCCNC(=O)C/C=C/c1ccccc1 1626a_100000209983_100011219626 [0,1,0,0,0,1|1,0,0]=3 6000 B17R1.7823 CCCCCNC(=O)C/C=C/c1ccccc1 240690a_100000209983_100011219626 [0,1,0,0,0,1|1,0,0]=3 6001 B17R1.7823 CCCCCNC(=O)C=CSc1ccccc1 11a_100000209983_100016262050 [0,1,0,0,0,1|1,0,0]=3 6002 B17R1.7823 CCCCCNC(=O)C=CSc1ccccc1 1626a_100000209983_100016262050 [0,1,0,0,0,1|1,0,0]=3 6003 B17R1.7823 CCCCCNC(=O)C=CSc1ccccc1 240690a_100000209983_100016262050 [0,1,0,0,0,1|1,0,0]=3 6004 B17R1.7823 CCCCNNC(=O)C/C=C/c1ccccc1 22a_100025702795_100011219626 [0,1,0,0,0,1|1,0,0]=3 6005 B17R1.7823 CCCCNNC(=O)C=CSc1ccccc1 22a_100025702795_100016262050 [0,1,0,0,0,1|1,0,0]=3 6006 B17R1.7823 CCCCOCC(=O)C/C=C/c1ccccc1 1458a_100000757543_100016265936 [0,1,0,0,0,1|0,0,0]=2 6007 B17R1.7823 CCCCOCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011995733 [0,1,0,0,0,1|0,0,0]=2 6008 B17R1.7823 CCCCOCC(=O)C=CSc1ccccc1 1458a_100016262050_100011995733 [0,1,0,0,0,1|0,0,0]=2 6009 B17R1.7823 CCCCOCC(=O)CC#Cc1ccccc1 1458a_100000757543_100011352542 [0,1,0,0,0,1|0,0,2]=4 6010 B17R1.7823 CCCCOCC(=O)CCCc1ccccc1 1458a_100000757543_100000211621 [0,1,0,0,0,1|0,0,2]=4 6011 B17R1.7823 CCCCOCC(=O)CCCc1ccccc1 1458a_100011207963_100011995733 [0,1,0,0,0,1|0,0,2]=4 6012 B17R1.7823 CCCCOCC(=O)CCOc1ccccc1 1458a_100000182761_100011995733 [0,1,0,0,0,1|0,0,2]=4 6013 B17R1.7823 CCCCOCC(=O)CCOc1ccccc1 1458a_100000757543_100000184471 [0,1,0,0,0,1|0,0,2]=4 6014 B17R1.7823 CCCCOCC(=O)CCSc1ccccc1 1458a_100000182436_100011995733 [0,1,0,0,0,1|0,0,2]=4 6015 B17R1.7823 CCCCOCC(=O)CCSc1ccccc1 1458a_100000757543_100000246102 [0,1,0,0,0,1|0,0,2]=4 6016 B17R1.7823 CCCCOCC(=O)COCc1ccccc1 1458a_100000230186_100011995733 [0,1,0,0,0,1|0,0,2]=4 6017 B17R1.7823 CCCCOCC(=O)CSCc1ccccc1 1458a_100000150264_100011995733 [0,1,0,0,0,1|0,0,2]=4 6018 B17R1.7823 CCCCOCC(=O)CSCc1ccccc1 1458a_100000757543_200011217039 [0,1,0,0,0,1|0,0,2]=4 6019 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 11a_100000106460_100000757543 [0,1,0,0,0,1|0,0,2]=4 6020 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 1626a_100000106460_100000757543 [0,1,0,0,0,1|0,0,2]=4 6021 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 240690a_100000106460_100000757543 [0,1,0,0,0,1|0,0,2]=4 6022 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 34a_100000210227_100000183012 [0,1,0,0,0,1|0,0,2]=4 6023 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 527a_100000106460_100000757543 [0,1,0,0,0,1|0,0,2]=4 6024 B17R1.7823 CCCCOCC(=O)NCCc1ccccc1 7a_100000210227_100000183012 [0,1,0,0,0,1|0,0,2]=4 6025 B17R1.7823 CCCCOCC(=O)NNCc1ccccc1 22a_100000007032_100000757543 [0,1,0,0,0,1|1,0,1]=4 6026 B17R1.7823 CCCCOCC(=O)NOCc1ccccc1 34a_100000210227_100000230105 [0,1,0,0,0,1|1,0,1]=4 6027 B17R1.7823 CCCCOCC(=O)NOCc1ccccc1 7a_100000210227_100000230105 [0,1,0,0,0,1|1,0,1]=4 6028 B17R1.7823 CCCCOCC(=O)OCCc1ccccc1 34a_100000210227_200000077782 [0,1,0,0,0,1|0,0,2]=4 6029 B17R1.7823 CCCCOCC(=O)OCCc1ccccc1 7a_100000210227_200000077782 [0,1,0,0,0,1|0,0,2]=4 6030 B17R1.7823 CCCCSCC(=O)C/C=C/c1ccccc1 1458a_100000191162_100016265936 [0,1,0,0,0,1|0,1,0]=3 6031 B17R1.7823 CCCOCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215938 [0,1,0,0,0,1|1,0,0]=3 6032 B17R1.7823 CCCOCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215938 [0,1,0,0,0,1|1,0,0]=3 6033 B17R1.7823 CCOCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100012232248 [0,1,0,0,0,1|1,0,0]=3 6034 B17R1.7823 CCOCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100012232248 [0,1,0,0,0,1|1,0,0]=3 6035 B17R1.7823 CCOCCNC(=O)C/C=C/c1ccccc1 11a_100011200944_100011219626 [0,1,0,0,0,1|1,0,0]=3 6036 B17R1.7823 CCOCCNC(=O)C/C=C/c1ccccc1 1626a_102516460346_100011219626 [0,1,0,0,0,1|1,0,0]=3 6037 B17R1.7823 CCOCCNC(=O)C/C=C/c1ccccc1 240690a_100011200944_100011219626 [0,1,0,0,0,1|1,0,0]=3 6038 B17R1.7823 CCOCCNC(=O)C=CSc1ccccc1 11a_100011200944_100016262050 [0,1,0,0,0,1|1,0,0]=3 6039 B17R1.7823 CCOCCNC(=O)C=CSc1ccccc1 1626a_102516460346_100016262050 [0,1,0,0,0,1|1,0,0]=3 6040 B17R1.7823 CCOCCNC(=O)C=CSc1ccccc1 240690a_100011200944_100016262050 [0,1,0,0,0,1|1,0,0]=3 6041 B17R1.7823 CCOCCOC(=O)CNCc1ccccc1 2230a_100015324214_200000101388 [0,1,0,0,0,1|0,0,2]=4 6042 B17R1.7823 CCOCCOC(=O)CNCc1ccccc1 34a_100015324214_200000101388 [0,1,0,0,0,1|0,0,2]=4 6043 B17R1.7823 CCOCCOC(=O)COCc1ccccc1 34a_100000210790_200000101388 [0,1,0,0,0,1|0,0,2]=4 6044 B17R1.7823 CCOCCOC(=O)COCc1ccccc1 7a_100000210790_200000101388 [0,1,0,0,0,1|0,0,2]=4 6045 B17R1.7823 CCOCCOC(=O)CSCc1ccccc1 62a_100000211182_200000101388 [0,1,0,0,0,1|0,0,2]=4 6046 B17R1.7823 CCOCCOC(=O)CSCc1ccccc1 62a_200000101388_100015291786 [0,1,0,0,0,1|0,0,2]=4 6047 B17R1.7823 CCSCCNC(=O)C/C=C/c1ccccc1 11a_100000106463_100011219626 [0,1,0,0,0,1|1,0,0]=3 6048 B17R1.7823 CCSCCNC(=O)C/C=C/c1ccccc1 1626a_100000106463_100011219626 [0,1,0,0,0,1|1,0,0]=3 6049 B17R1.7823 CCSCCNC(=O)C/C=C/c1ccccc1 240690a_100000106463_100011219626 [0,1,0,0,0,1|1,0,0]=3 6050 B17R1.7823 CCSCCNC(=O)C=CSc1ccccc1 11a_100000106463_100016262050 [0,1,0,0,0,1|1,0,0]=3 6051 B17R1.7823 CCSCCNC(=O)C=CSc1ccccc1 1626a_100000106463_100016262050 [0,1,0,0,0,1|1,0,0]=3 6052 B17R1.7823 CCSCCNC(=O)C=CSc1ccccc1 240690a_100000106463_100016262050 [0,1,0,0,0,1|1,0,0]=3 6053 B17R1.7823 COCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000755781 [0,1,0,0,0,1|1,0,0]=3 6054 B17R1.7823 COCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000755781 [0,1,0,0,0,1|1,0,0]=3 6055 B17R1.7823 COCCCNC(=O)C/C=C/c1ccccc1 1626a_100150723488_100011219626 [0,1,0,0,0,1|1,0,0]=3 6056 B17R1.7823 COCCCNC(=O)C/C=C/c1ccccc1 240690a_100150723488_100011219626 [0,1,0,0,0,1|1,0,0]=3 6057 B17R1.7823 COCCCNC(=O)C=CSc1ccccc1 1626a_100150723488_100016262050 [0,1,0,0,0,1|1,0,0]=3 6058 B17R1.7823 COCCCNC(=O)C=CSc1ccccc1 240690a_100150723488_100016262050 [0,1,0,0,0,1|1,0,0]=3 6059 B17R1.7823 COCCNNC(=O)C/C=C/c1ccccc1 22a_100000741390_100011219626 [0,1,0,0,0,1|2,0,0]=4 6060 B17R1.7823 COCCNNC(=O)C=CSc1ccccc1 22a_100000741390_100016262050 [0,1,0,0,0,1|2,0,0]=4 6061 B17R1.7823 COCCOCC(=O)C/C=C/c1ccccc1 1458a_100000211095_100016265936 [0,1,0,0,0,1|1,0,0]=3 6062 B17R1.7823 CSCCCNC(=O)C/C=C/c1ccccc1 11a_100000749238_100011219626 [0,1,0,0,0,1|1,0,0]=3 6063 B17R1.7823 CSCCCNC(=O)C/C=C/c1ccccc1 1626a_100000749238_100011219626 [0,1,0,0,0,1|1,0,0]=3 6064 B17R1.7823 CSCCCNC(=O)C/C=C/c1ccccc1 240690a_100000749238_100011219626 [0,1,0,0,0,1|1,0,0]=3 6065 B17R1.7823 CSCCCNC(=O)C=CSc1ccccc1 11a_100000749238_100016262050 [0,1,0,0,0,1|1,0,0]=3 6066 B17R1.7823 CSCCCNC(=O)C=CSc1ccccc1 1626a_100000749238_100016262050 [0,1,0,0,0,1|1,0,0]=3 6067 B17R1.7823 CSCCCNC(=O)C=CSc1ccccc1 240690a_100000749238_100016262050 [0,1,0,0,0,1|1,0,0]=3 6068 B17R1.7823 N#CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000211819 [0,1,0,0,0,1|1,0,1]=4 6069 B17R1.7823 N#CCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000211819 [0,1,0,0,0,1|1,0,1]=4 6070 B17R1.7823 O=C(C/C=C/c1ccccc1)CCCCCF 1458a_100011219626_100000729378 [0,1,0,0,0,1|1,0,0]=3 6071 B17R1.7823 O=C(C/C=C/c1ccccc1)CCCCCO 1458a_100011219626_100000746330 [0,1,0,0,0,1|1,0,0]=3 6072 B17R1.7823 O=C(C/C=C/c1ccccc1)CCCCCO 1458a_100102619762_100016265936 [0,1,0,0,0,1|1,0,0]=3 6073 B17R1.7823 O=C(C/C=C/c1ccccc1)CCOCCO 1458a_100011219626_100011215305 [0,1,0,0,0,1|2,0,0]=4 6074 B17R1.7823 O=C(C/C=C/c1ccccc1)CCOCCO 1458a_100011229844_100016265936 [0,1,0,0,0,1|2,0,0]=4 6075 B17R1.7823 O=C(C/C=C/c1ccccc1)NCCCCO 240690a_100000750430_100011219626 [0,1,0,0,0,1|1,0,0]=3 6076 B17R1.7823 O=C(C=CSc1ccccc1)CCCCCF 1458a_100016262050_100000729378 [0,1,0,0,0,1|1,0,0]=3 6077 B17R1.7823 O=C(C=CSc1ccccc1)CCCCCO 1458a_100016262050_100000746330 [0,1,0,0,0,1|1,0,0]=3 6078 B17R1.7823 O=C(C=CSc1ccccc1)CCOCCO 1458a_100016262050_100011215305 [0,1,0,0,0,1|2,0,0]=4 6079 B17R1.7823 O=C(C=CSc1ccccc1)NCCCCO 240690a_100000750430_100016262050 [0,1,0,0,0,1|1,0,0]=3 6080 B17R1.8944 CCCCCC(=O)NN=Cc1ccccc1Br 4a_100000189784_100000211189 [0,1,0,0,0,1|2,0,0]=4 6081 B17R1.8944 CCCCCC(=O)NN=Cc1ccccc1C 4a_100000189784_100000211143 [0,1,0,0,0,1|2,0,0]=4 6082 B17R1.8944 CCCCCC(=O)NN=Cc1ccccc1Cl 4a_100000189784_100000210073 [0,1,0,0,0,1|2,0,0]=4 6083 B17R1.8944 CCCCCC(=O)NN=Cc1ccccc1F 4a_100000189784_100000210811 [0,1,0,0,0,1|2,0,0]=4 6084 B17R1.8944 CCCCCC(=O)NN=Cc1ccccc1I 4a_100000189784_100000010305 [0,1,0,0,0,1|2,0,0]=4 6085 B17R1.8944 CCCCCC(=O)NN=Cc1ccccc1O 4a_100000189784_100000185834 [0,1,0,0,0,1|2,0,0]=4 6086 B17R1.8944 CCCCOC(=O)CNCc1ccccc1Br 2230a_100000689332_100000211628 [0,1,0,0,0,1|0,0,2]=4 6087 B17R1.8944 CCCCOC(=O)CNCc1ccccc1Br 34a_100000689332_100000211628 [0,1,0,0,0,1|0,0,2]=4 6088 B17R1.8944 CCCCOC(=O)CNCc1ccccc1C 34a_100000174972_100000211628 [0,1,0,0,0,1|0,0,2]=4 6089 B17R1.8944 CCCCOC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000211628 [0,1,0,0,0,1|0,0,2]=4 6090 B17R1.8944 CCCCOC(=O)CNCc1ccccc1Cl 34a_100000174879_100000211628 [0,1,0,0,0,1|0,0,2]=4 6091 B17R1.8944 CCCCOC(=O)CNCc1ccccc1F 34a_100000174869_100000211628 [0,1,0,0,0,1|0,0,2]=4 6092 B17R1.8944 CCCCOC(=O)CNCc1ccccc1O 34a_100000185550_100000211628 [0,1,0,0,0,1|0,0,2]=4 6093 B17R1.8944 CCCCOC(=O)COCc1ccccc1Br 34a_100000756307_100000211628 [0,1,0,0,0,1|0,0,2]=4 6094 B17R1.8944 CCCCOC(=O)COCc1ccccc1Br 7a_100000756307_100000211628 [0,1,0,0,0,1|0,0,2]=4 6095 B17R1.8944 CCCCOC(=O)COCc1ccccc1C 34a_100000698903_100000211628 [0,1,0,0,0,1|0,0,2]=4 6096 B17R1.8944 CCCCOC(=O)COCc1ccccc1C 7a_100000698903_100000211628 [0,1,0,0,0,1|0,0,2]=4 6097 B17R1.8944 CCCCOC(=O)COCc1ccccc1Cl 34a_100000210847_100000211628 [0,1,0,0,0,1|0,0,2]=4 6098 B17R1.8944 CCCCOC(=O)COCc1ccccc1Cl 7a_100000210847_100000211628 [0,1,0,0,0,1|0,0,2]=4 6099 B17R1.8944 CCCCOC(=O)COCc1ccccc1F 34a_100000211962_100000211628 [0,1,0,0,0,1|0,0,2]=4 6100 B17R1.8944 CCCCOC(=O)COCc1ccccc1F 7a_100000211962_100000211628 [0,1,0,0,0,1|0,0,2]=4 6101 B17R1.8944 CCCCOC(=O)COCc1ccccc1I 34a_100000187465_100000211628 [0,1,0,0,0,1|0,0,2]=4 6102 B17R1.8944 CCCCOC(=O)COCc1ccccc1I 7a_100000187465_100000211628 [0,1,0,0,0,1|0,0,2]=4 6103 B17R1.8944 CCCCOC(=O)COCc1ccccc1N 34a_100000212039_100000211628 [0,1,0,0,0,1|0,0,2]=4 6104 B17R1.8944 CCCCOC(=O)CSCc1ccccc1Br 62a_100000184730_100000211628 [0,1,0,0,0,1|0,0,2]=4 6105 B17R1.8944 CCCCOC(=O)CSCc1ccccc1Br 62a_100000211628_100000184730 [0,1,0,0,0,1|0,0,2]=4 6106 B17R1.8944 CCCCOC(=O)CSCc1ccccc1C 62a_100000211628_100000211839 [0,1,0,0,0,1|0,0,2]=4 6107 B17R1.8944 CCCCOC(=O)CSCc1ccccc1C 62a_100000211839_100000211628 [0,1,0,0,0,1|0,0,2]=4 6108 B17R1.8944 CCCCOC(=O)CSCc1ccccc1Cl 62a_100000187162_100000211628 [0,1,0,0,0,1|0,0,2]=4 6109 B17R1.8944 CCCCOC(=O)CSCc1ccccc1Cl 62a_100000211628_100000187162 [0,1,0,0,0,1|0,0,2]=4 6110 B17R1.8944 CCCCOC(=O)CSCc1ccccc1F 62a_100000211605_100000211628 [0,1,0,0,0,1|0,0,2]=4 6111 B17R1.8944 CCCCOC(=O)CSCc1ccccc1F 62a_100000211628_100000211605 [0,1,0,0,0,1|0,0,2]=4 6112 B17R1.8944 CCCCOC(=O)CSCc1ccccc1I 62a_100000211628_100011216222 [0,1,0,0,0,1|0,0,2]=4 6113 B17R1.8944 CCCCOC(=O)CSCc1ccccc1I 62a_100011216222_100000211628 [0,1,0,0,0,1|0,0,2]=4 6114 B17R1.9781 CCC/C=C(\C)/C(=O)C/C=C/c1ccccc1 1458a_200020648666_100016265936 [0,1,0,0,0,1|1,0,1]=4 6115 B17R1.9781 CCCCC(C)C(=O)C/C=C/c1ccccc1 1458a_100000725509_100016265936 [0,1,0,0,0,1|1,0,0]=3 6116 B17R1.9781 CCCCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_200011215066 [0,1,0,0,0,1|1,0,0]=3 6117 B17R1.9781 CCCCC(C)C(=O)C=CSc1ccccc1 1458a_100016262050_200011215066 [0,1,0,0,0,1|1,0,0]=3 6118 B17R1.9781 CCCCC(O)C(=O)C/C=C/c1ccccc1 1458a_100000720857_100016265936 [0,1,0,0,0,1|1,0,0]=3 6119 B17R1.9781 CCCCN(C)C(=O)C/C=C/c1ccccc1 11a_100000207549_100011219626 [0,1,0,0,0,1|1,0,0]=3 6120 B17R1.9781 CCCCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000207549_100011219626 [0,1,0,0,0,1|1,0,0]=3 6121 B17R1.9781 CCCCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000207549_100011219626 [0,1,0,0,0,1|1,0,0]=3 6122 B17R1.9781 CCCCN(C)C(=O)C=CSc1ccccc1 11a_100000207549_100016262050 [0,1,0,0,0,1|1,0,0]=3 6123 B17R1.9781 CCCCN(C)C(=O)C=CSc1ccccc1 1626a_100000207549_100016262050 [0,1,0,0,0,1|1,0,0]=3 6124 B17R1.9781 CCCCN(C)C(=O)C=CSc1ccccc1 240690a_100000207549_100016262050 [0,1,0,0,0,1|1,0,0]=3 6125 B17R1.9781 CCCNC(=O)C(=O)C/C=C/c1ccccc1 1458a_200011297150_100016265936 [0,1,0,0,0,1|2,0,0]=4 6126 B17R1.9781 CN(CCCO)C(=O)C/C=C/c1ccccc1 240690a_100000213112_100011219626 [0,1,0,0,0,1|2,0,0]=4 6127 B17R1.9781 CN(CCCO)C(=O)C=CSc1ccccc1 240690a_100000213112_100016262050 [0,1,0,0,0,1|2,0,0]=4 6128 B17R1.9781 COCCN(C)C(=O)C/C=C/c1ccccc1 11a_100000743101_100011219626 [0,1,0,0,0,1|2,0,0]=4 6129 B17R1.9781 COCCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000743101_100011219626 [0,1,0,0,0,1|2,0,0]=4 6130 B17R1.9781 COCCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000743101_100011219626 [0,1,0,0,0,1|2,0,0]=4 6131 B17R1.9781 COCCN(C)C(=O)C=CSc1ccccc1 11a_100000743101_100016262050 [0,1,0,0,0,1|2,0,0]=4 6132 B17R1.9781 COCCN(C)C(=O)C=CSc1ccccc1 1626a_100000743101_100016262050 [0,1,0,0,0,1|2,0,0]=4 6133 B17R1.9781 COCCN(C)C(=O)C=CSc1ccccc1 240690a_100000743101_100016262050 [0,1,0,0,0,1|2,0,0]=4 6134 B17R1.9781 CSCCC(O)C(=O)C/C=C/c1ccccc1 1458a_100000685904_100016265936 [0,1,0,0,0,1|2,0,0]=4 6135 B17R1.9781 CSCCN(C)C(=O)C/C=C/c1ccccc1 11a_100000686725_100011219626 [0,1,0,0,0,1|2,0,0]=4 6136 B17R1.9781 CSCCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000686725_100011219626 [0,1,0,0,0,1|2,0,0]=4 6137 B17R1.9781 CSCCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000686725_100011219626 [0,1,0,0,0,1|2,0,0]=4 6138 B17R1.9781 CSCCN(C)C(=O)C=CSc1ccccc1 11a_100000686725_100016262050 [0,1,0,0,0,1|2,0,0]=4 6139 B17R1.9781 CSCCN(C)C(=O)C=CSc1ccccc1 1626a_100000686725_100016262050 [0,1,0,0,0,1|2,0,0]=4 6140 B17R1.9781 CSCCN(C)C(=O)C=CSc1ccccc1 240690a_100000686725_100016262050 [0,1,0,0,0,1|2,0,0]=4 6141 B17R1.16611 CC(=O)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215641 [0,1,0,0,0,1|1,0,1]=4 6142 B17R1.16611 CC(=O)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215641 [0,1,0,0,0,1|1,0,1]=4 6143 B17R1.16611 CC(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011216857_100016265936 [0,1,0,0,0,1|1,0,0]=3 6144 B17R1.16611 CC(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011214892 [0,1,0,0,0,1|1,0,0]=3 6145 B17R1.16611 CC(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011214892 [0,1,0,0,0,1|1,0,0]=3 6146 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 11a_100000210545_100011219626 [0,1,0,0,0,1|1,0,0]=3 6147 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 1626a_100000210545_100011219626 [0,1,0,0,0,1|1,0,0]=3 6148 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000210545_100011219626 [0,1,0,0,0,1|1,0,0]=3 6149 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 11a_100000210545_100016262050 [0,1,0,0,0,1|1,0,0]=3 6150 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 1626a_100000210545_100016262050 [0,1,0,0,0,1|1,0,0]=3 6151 B17R1.16611 CC(C)CCNC(=O)C=CSc1ccccc1 240690a_100000210545_100016262050 [0,1,0,0,0,1|1,0,0]=3 6152 B17R1.16611 CC(C)CNNC(=O)C/C=C/c1ccccc1 22a_100000696102_100011219626 [0,1,0,0,0,1|2,0,0]=4 6153 B17R1.16611 CC(C)CNNC(=O)C=CSc1ccccc1 22a_100000696102_100016262050 [0,1,0,0,0,1|2,0,0]=4 6154 B17R1.16611 CC(C)COCC(=O)C/C=C/c1ccccc1 1458a_100011223364_100016265936 [0,1,0,0,0,1|2,0,0]=4 6155 B17R1.16611 CC(C)OCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000211751 [0,1,0,0,0,1|2,0,0]=4 6156 B17R1.16611 CC(C)OCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000211751 [0,1,0,0,0,1|2,0,0]=4 6157 B17R1.16611 CC(C)SCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000730970 [0,1,0,0,0,1|2,0,0]=4 6158 B17R1.16611 CC(C)SCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000730970 [0,1,0,0,0,1|2,0,0]=4 6159 B17R1.16611 CC(O)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000718107 [0,1,0,0,0,1|1,0,0]=3 6160 B17R1.16611 CC(O)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_200000718107 [0,1,0,0,0,1|1,0,0]=3 6161 B17R1.16611 CC(O)CCNC(=O)C/C=C/c1ccccc1 240690a_200000755665_100011219626 [0,1,0,0,0,1|1,0,0]=3 6162 B17R1.16611 CC(O)CCNC(=O)C=CSc1ccccc1 240690a_200000755665_100016262050 [0,1,0,0,0,1|1,0,0]=3 6163 B17R1.16611 CC(O)CNNC(=O)C/C=C/c1ccccc1 22a_200000730056_100011219626 [0,1,0,0,0,1|2,0,0]=4 6164 B17R1.16611 CC(O)CNNC(=O)C=CSc1ccccc1 22a_200000730056_100016262050 [0,1,0,0,0,1|2,0,0]=4 6165 B17R1.16611 CN(C)CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000695564 [0,1,0,0,0,1|2,0,0]=4 6166 B17R1.16611 CN(C)CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000695564 [0,1,0,0,0,1|2,0,0]=4 6167 B17R1.16611 CN(C)CCNC(=O)C/C=C/c1ccccc1 240690a_100000210585_100011219626 [0,1,0,0,0,1|2,0,0]=4 6168 B17R1.16611 CN(C)CCNC(=O)C=CSc1ccccc1 240690a_100000210585_100016262050 [0,1,0,0,0,1|2,0,0]=4 6169 B17R1.22068 C=C(CCC)CC(=O)C/C=C/c1ccccc1 1458a_100000138376_100016265936 [0,1,0,0,0,1|1,0,1]=4 6170 B17R1.22068 CCCC(=CC(=O)C/C=C/c1ccccc1)C 1458a_100020676950_100016265936 [0,1,0,0,0,1|1,0,1]=4 6171 B17R1.22068 CCCC(=O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000747444 [0,1,0,0,0,1|1,0,1]=4 6172 B17R1.22068 CCCC(=O)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000747444 [0,1,0,0,0,1|1,0,1]=4 6173 B17R1.22068 CCCC(C)CC(=O)C/C=C/c1ccccc1 1458a_100000748435_100016265936 [0,1,0,0,0,1|1,0,0]=3 6174 B17R1.22068 CCCC(C)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011216630 [0,1,0,0,0,1|1,0,0]=3 6175 B17R1.22068 CCCC(C)CC(=O)C=CSc1ccccc1 1458a_100016262050_100011216630 [0,1,0,0,0,1|1,0,0]=3 6176 B17R1.22068 CCCC(C)NC(=O)C/C=C/c1ccccc1 11a_100000741246_100011219626 [0,1,0,0,0,1|1,0,0]=3 6177 B17R1.22068 CCCC(C)NC(=O)C/C=C/c1ccccc1 1626a_100000741246_100011219626 [0,1,0,0,0,1|1,0,0]=3 6178 B17R1.22068 CCCC(C)NC(=O)C/C=C/c1ccccc1 240690a_100000741246_100011219626 [0,1,0,0,0,1|1,0,0]=3 6179 B17R1.22068 CCCC(C)NC(=O)C=CSc1ccccc1 11a_100000741246_100016262050 [0,1,0,0,0,1|1,0,0]=3 6180 B17R1.22068 CCCC(C)NC(=O)C=CSc1ccccc1 1626a_100000741246_100016262050 [0,1,0,0,0,1|1,0,0]=3 6181 B17R1.22068 CCCC(C)NC(=O)C=CSc1ccccc1 240690a_100000741246_100016262050 [0,1,0,0,0,1|1,0,0]=3 6182 B17R1.22068 CCCS(=O)CC(=O)C/C=C/c1ccccc1 1458a_100011387404_100016265936 [0,1,0,0,0,1|2,0,0]=4 6183 B17R1.22068 CCSC(C)CC(=O)C/C=C/c1ccccc1 1458a_200011311441_100016265936 [0,1,0,0,0,1|2,0,0]=4 6184 B17R1.22068 COC[C@@H](C)NC(=O)C/C=C/c1ccccc1 11a_100000764878_100011219626 [0,1,0,0,0,1|2,0,0]=4 6185 B17R1.22068 COC[C@@H](C)NC(=O)C/C=C/c1ccccc1 1626a_100000764878_100011219626 [0,1,0,0,0,1|2,0,0]=4 6186 B17R1.22068 COC[C@@H](C)NC(=O)C/C=C/c1ccccc1 240690a_100000764878_100011219626 [0,1,0,0,0,1|2,0,0]=4 6187 B17R1.22068 COC[C@@H](C)NC(=O)C=CSc1ccccc1 11a_100000764878_100016262050 [0,1,0,0,0,1|2,0,0]=4 6188 B17R1.22068 COC[C@@H](C)NC(=O)C=CSc1ccccc1 1626a_100000764878_100016262050 [0,1,0,0,0,1|2,0,0]=4 6189 B17R1.22068 COC[C@@H](C)NC(=O)C=CSc1ccccc1 240690a_100000764878_100016262050 [0,1,0,0,0,1|2,0,0]=4 6190 B17R1.22068 C[C@H](CCO)NC(=O)C/C=C/c1ccccc1 240690a_100000706166_100011219626 [0,1,0,0,0,1|2,0,0]=4 6191 B17R1.22068 C[C@H](CCO)NC(=O)C=CSc1ccccc1 240690a_100000706166_100016262050 [0,1,0,0,0,1|2,0,0]=4 6192 B17R1.26833 CC(CO)CNC(=O)C/C=C/c1ccccc1 240690a_100000744482_100011219626 [0,1,0,0,0,1|2,0,0]=4 6193 B17R1.26833 CC(CO)CNC(=O)C=CSc1ccccc1 240690a_100000744482_100016262050 [0,1,0,0,0,1|2,0,0]=4 6194 B17R1.26833 CCC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000701222_100016265936 [0,1,0,0,0,1|1,0,0]=3 6195 B17R1.26833 CCC(C)CNC(=O)C/C=C/c1ccccc1 11a_100020588543_100011219626 [0,1,0,0,0,1|1,0,0]=3 6196 B17R1.26833 CCC(C)CNC(=O)C/C=C/c1ccccc1 1626a_100020588543_100011219626 [0,1,0,0,0,1|1,0,0]=3 6197 B17R1.26833 CCC(C)CNC(=O)C/C=C/c1ccccc1 240690a_100020588543_100011219626 [0,1,0,0,0,1|1,0,0]=3 6198 B17R1.26833 CCC(C)CNC(=O)C=CSc1ccccc1 11a_100020588543_100016262050 [0,1,0,0,0,1|1,0,0]=3 6199 B17R1.26833 CCC(C)CNC(=O)C=CSc1ccccc1 1626a_100020588543_100016262050 [0,1,0,0,0,1|1,0,0]=3 6200 B17R1.26833 CCC(C)CNC(=O)C=CSc1ccccc1 240690a_100020588543_100016262050 [0,1,0,0,0,1|1,0,0]=3 6201 B17R1.26833 CCC(C)NNC(=O)C/C=C/c1ccccc1 22a_100000718999_100011219626 [0,1,0,0,0,1|2,0,0]=4 6202 B17R1.26833 CCC(C)NNC(=O)C=CSc1ccccc1 22a_100000718999_100016262050 [0,1,0,0,0,1|2,0,0]=4 6203 B17R1.26833 CCC(O)CNC(=O)C/C=C/c1ccccc1 11a_100011218483_100011219626 [0,1,0,0,0,1|1,0,0]=3 6204 B17R1.26833 CCC(O)CNC(=O)C/C=C/c1ccccc1 240690a_100011218483_100011219626 [0,1,0,0,0,1|1,0,0]=3 6205 B17R1.26833 CCC(O)CNC(=O)C=CSc1ccccc1 11a_100011218483_100016262050 [0,1,0,0,0,1|1,0,0]=3 6206 B17R1.26833 CCC(O)CNC(=O)C=CSc1ccccc1 240690a_100011218483_100016262050 [0,1,0,0,0,1|1,0,0]=3 6207 B17R1.26833 CCN(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000755305_100016265936 [0,1,0,0,0,1|2,0,0]=4 6208 B17R1.26833 CCS(=O)CCC(=O)C/C=C/c1ccccc1 1458a_100011387550_100016265936 [0,1,0,0,0,1|2,0,0]=4 6209 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 11a_100020591295_100011219626 [0,1,0,0,0,1|2,0,0]=4 6210 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 1626a_100020591295_100011219626 [0,1,0,0,0,1|2,0,0]=4 6211 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 240690a_100020591295_100011219626 [0,1,0,0,0,1|2,0,0]=4 6212 B17R1.26833 CO[C@H](C)CNC(=O)C=CSc1ccccc1 11a_100020591295_100016262050 [0,1,0,0,0,1|2,0,0]=4 6213 B17R1.26833 CO[C@H](C)CNC(=O)C=CSc1ccccc1 1626a_100020591295_100016262050 [0,1,0,0,0,1|2,0,0]=4 6214 B17R1.26833 CO[C@H](C)CNC(=O)C=CSc1ccccc1 240690a_100020591295_100016262050 [0,1,0,0,0,1|2,0,0]=4 6215 B17R1.26833 O=C(C/C=C/c1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100011219626 [0,1,0,0,0,1|2,0,0]=4 6216 B17R1.26833 O=C(C/C=C/c1ccccc1)NC[C@H](O)CO 240690a_100020644852_100011219626 [0,1,0,0,0,1|2,0,0]=4 6217 B17R1.26833 O=C(C=CSc1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100016262050 [0,1,0,0,0,1|2,0,0]=4 6218 B17R1.26833 O=C(C=CSc1ccccc1)NC[C@H](O)CO 240690a_100020644852_100016262050 [0,1,0,0,0,1|2,0,0]=4 6219 B17R1.1842 CCCCOC(=O)COc1cccccc1=O 34a_100000036025_100000211628 [0,1,0,0,0,1|1,0,1]=4 6220 B17R1.1842 CCCCOC(=O)COc1cccccc1=O 7a_100000036025_100000211628 [0,1,0,0,0,1|1,0,1]=4 6221 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_200012276598 [0,2,0,0,0,0|1,0,1]=4 6222 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000212188_100000188085 [0,2,0,0,0,0|1,0,1]=4 6223 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_200012276598 [0,2,0,0,0,0|1,0,1]=4 6224 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000212188_100000211441 [0,2,0,0,0,0|1,0,1]=4 6225 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200012276598 [0,2,0,0,0,0|1,0,1]=4 6226 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000212188_100000211071 [0,2,0,0,0,0|1,0,1]=4 6227 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_200012276598 [0,2,0,0,0,0|1,0,1]=4 6228 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000212188_100000211279 [0,2,0,0,0,0|1,0,1]=4 6229 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_200012276598 [0,2,0,0,0,0|1,0,1]=4 6230 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000212188_100011216261 [0,2,0,0,0,0|1,0,1]=4 6231 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_200012276598 [0,2,0,0,0,0|1,0,1]=4 6232 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212188_100009814261 [0,2,0,0,0,0|1,0,1]=4 6233 B17R1.24 CCCCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000182744 [0,2,0,0,0,0|1,0,1]=4 6234 B17R1.24 CCCCNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000182744 [0,2,0,0,0,0|1,0,1]=4 6235 B17R1.24 CCCCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000182744 [0,2,0,0,0,0|1,0,1]=4 6236 B17R1.24 CCCCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000182744 [0,2,0,0,0,0|1,0,1]=4 6237 B17R1.24 CCCCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000182744 [0,2,0,0,0,0|1,0,1]=4 6238 B17R1.24 CCCCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000182744 [0,2,0,0,0,0|1,0,1]=4 6239 B17R1.24 CCCCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000211628 [0,2,0,0,0,0|0,0,1]=3 6240 B17R1.24 CCCCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000211628 [0,2,0,0,0,0|0,0,1]=3 6241 B17R1.24 CCCCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000211628 [0,2,0,0,0,0|0,0,1]=3 6242 B17R1.24 CCCCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000211628 [0,2,0,0,0,0|0,0,1]=3 6243 B17R1.24 CCCCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000211628 [0,2,0,0,0,0|0,0,1]=3 6244 B17R1.24 CCCCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000211628 [0,2,0,0,0,0|0,0,1]=3 6245 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000211628 [0,2,0,0,0,0|1,0,1]=4 6246 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000211628 [0,2,0,0,0,0|1,0,1]=4 6247 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000211628 [0,2,0,0,0,0|1,0,1]=4 6248 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000211628 [0,2,0,0,0,0|1,0,1]=4 6249 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000211628 [0,2,0,0,0,0|1,0,1]=4 6250 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000211628 [0,2,0,0,0,0|1,0,1]=4 6251 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000211628 [0,2,0,0,0,0|1,0,1]=4 6252 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000211628 [0,2,0,0,0,0|1,0,1]=4 6253 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000211628 [0,2,0,0,0,0|1,0,1]=4 6254 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000211628 [0,2,0,0,0,0|1,0,1]=4 6255 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000211628 [0,2,0,0,0,0|1,0,1]=4 6256 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000211628 [0,2,0,0,0,0|1,0,1]=4 6257 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000211628 [0,2,0,0,0,0|1,0,1]=4 6258 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000211628 [0,2,0,0,0,0|1,0,1]=4 6259 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000211628 [0,2,0,0,0,0|1,0,1]=4 6260 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000211628 [0,2,0,0,0,0|1,0,1]=4 6261 B17R1.24 CCCCOC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000211628 [0,2,0,0,0,0|1,0,1]=4 6262 B17R1.24 COCCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000040189 [0,2,0,0,0,0|1,0,1]=4 6263 B17R1.24 COCCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_200000040189 [0,2,0,0,0,0|1,0,1]=4 6264 B17R1.24 COCCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000040189 [0,2,0,0,0,0|1,0,1]=4 6265 B17R1.24 COCCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_200000040189 [0,2,0,0,0,0|1,0,1]=4 6266 B17R1.24 COCCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_200000040189 [0,2,0,0,0,0|1,0,1]=4 6267 B17R1.24 COCCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_200000040189 [0,2,0,0,0,0|1,0,1]=4 6268 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_200012276598 [0,2,0,0,0,0|1,0,1]=4 6269 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000212188_100000212080 [0,2,0,0,0,0|1,0,1]=4 6270 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_200012276598 [0,2,0,0,0,0|1,0,1]=4 6271 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000212188_100000739480 [0,2,0,0,0,0|1,0,1]=4 6272 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_200012276598 [0,2,0,0,0,0|1,0,1]=4 6273 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000212188_100000211444 [0,2,0,0,0,0|1,0,1]=4 6274 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_200012276598 [0,2,0,0,0,0|1,0,1]=4 6275 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000212188_100000215616 [0,2,0,0,0,0|1,0,1]=4 6276 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_200012276598 [0,2,0,0,0,0|1,0,1]=4 6277 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_200012276598 [0,2,0,0,0,0|1,0,1]=4 6278 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000212188_100009813753 [0,2,0,0,0,0|1,0,1]=4 6279 B17R1.25 CCCCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000182744 [0,2,0,0,0,0|1,0,1]=4 6280 B17R1.25 CCCCNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000182744 [0,2,0,0,0,0|1,0,1]=4 6281 B17R1.25 CCCCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000182744 [0,2,0,0,0,0|1,0,1]=4 6282 B17R1.25 CCCCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000182744 [0,2,0,0,0,0|1,0,1]=4 6283 B17R1.25 CCCCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000182744 [0,2,0,0,0,0|1,0,1]=4 6284 B17R1.25 CCCCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000182744 [0,2,0,0,0,0|1,0,1]=4 6285 B17R1.25 CCCCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000211628 [0,2,0,0,0,0|0,0,1]=3 6286 B17R1.25 CCCCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000211628 [0,2,0,0,0,0|0,0,1]=3 6287 B17R1.25 CCCCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000211628 [0,2,0,0,0,0|0,0,1]=3 6288 B17R1.25 CCCCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000211628 [0,2,0,0,0,0|0,0,1]=3 6289 B17R1.25 CCCCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000211628 [0,2,0,0,0,0|0,0,1]=3 6290 B17R1.25 CCCCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000211628 [0,2,0,0,0,0|0,0,1]=3 6291 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000211628 [0,2,0,0,0,0|1,0,1]=4 6292 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000211628 [0,2,0,0,0,0|1,0,1]=4 6293 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000211628 [0,2,0,0,0,0|1,0,1]=4 6294 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000211628 [0,2,0,0,0,0|1,0,1]=4 6295 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000211628 [0,2,0,0,0,0|1,0,1]=4 6296 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000211628 [0,2,0,0,0,0|1,0,1]=4 6297 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000211628 [0,2,0,0,0,0|1,0,1]=4 6298 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000211628 [0,2,0,0,0,0|1,0,1]=4 6299 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000211628 [0,2,0,0,0,0|1,0,1]=4 6300 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000211628 [0,2,0,0,0,0|1,0,1]=4 6301 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000211628 [0,2,0,0,0,0|1,0,1]=4 6302 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000211628 [0,2,0,0,0,0|1,0,1]=4 6303 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000211628 [0,2,0,0,0,0|1,0,1]=4 6304 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000211628 [0,2,0,0,0,0|1,0,1]=4 6305 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000211628 [0,2,0,0,0,0|1,0,1]=4 6306 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000211628 [0,2,0,0,0,0|1,0,1]=4 6307 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000211628 [0,2,0,0,0,0|1,0,1]=4 6308 B17R1.25 CCCCOC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000211628 [0,2,0,0,0,0|1,0,1]=4 6309 B17R1.25 COCCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_200000040189 [0,2,0,0,0,0|1,0,1]=4 6310 B17R1.25 COCCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_200000040189 [0,2,0,0,0,0|1,0,1]=4 6311 B17R1.25 COCCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000040189 [0,2,0,0,0,0|1,0,1]=4 6312 B17R1.25 COCCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_200000040189 [0,2,0,0,0,0|1,0,1]=4 6313 B17R1.25 COCCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_200000040189 [0,2,0,0,0,0|1,0,1]=4 6314 B17R1.25 COCCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_200000040189 [0,2,0,0,0,0|1,0,1]=4 6315 B17R1.675 CC(=CC(=O)CCCC(C)C)c1ccccc1 1458a_100000743005_100011214892 [0,2,0,0,0,0|1,0,0]=3 6316 B17R1.675 CC(=CC(=O)CCCC(C)O)c1ccccc1 1458a_100000743005_200000718107 [0,2,0,0,0,0|1,0,0]=3 6317 B17R1.675 CC(=CC(=O)CCCN(C)C)c1ccccc1 1458a_100000743005_100000695564 [0,2,0,0,0,0|2,0,0]=4 6318 B17R1.675 CC(=CC(=O)CCOC(C)C)c1ccccc1 1458a_100000743005_100000211751 [0,2,0,0,0,0|2,0,0]=4 6319 B17R1.675 CC(=CC(=O)CCSC(C)C)c1ccccc1 1458a_100000743005_100000730970 [0,2,0,0,0,0|2,0,0]=4 6320 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 11a_100000210545_100000743005 [0,2,0,0,0,0|1,0,0]=3 6321 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 1626a_100000210545_100000743005 [0,2,0,0,0,0|1,0,0]=3 6322 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 240690a_100000210545_100000743005 [0,2,0,0,0,0|1,0,0]=3 6323 B17R1.675 CC(=CC(=O)NCCC(C)C)c1ccccc1 527a_100000210545_100000743005 [0,2,0,0,0,0|1,0,0]=3 6324 B17R1.675 CC(=CC(=O)NCCC(C)O)c1ccccc1 240690a_200000755665_100000743005 [0,2,0,0,0,0|1,0,0]=3 6325 B17R1.675 CC(=CC(=O)NCCC(C)O)c1ccccc1 527a_200000755665_100000743005 [0,2,0,0,0,0|1,0,0]=3 6326 B17R1.675 CC(=CC(=O)NCCN(C)C)c1ccccc1 240690a_100000210585_100000743005 [0,2,0,0,0,0|2,0,0]=4 6327 B17R1.675 CC(=CC(=O)NCCN(C)C)c1ccccc1 527a_100000210585_100000743005 [0,2,0,0,0,0|2,0,0]=4 6328 B17R1.675 CC(=CC(=O)NNCC(C)C)c1ccccc1 22a_100000696102_100000743005 [0,2,0,0,0,0|2,0,0]=4 6329 B17R1.675 CC(=CC(=O)NNCC(C)O)c1ccccc1 22a_200000730056_100000743005 [0,2,0,0,0,0|2,0,0]=4 6330 B17R1.675 CC(=O)CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215641 [0,2,0,0,0,0|1,0,1]=4 6331 B17R1.675 CC(C)CCCC(=O)CC(=O)c1ccccc1 1458a_100011216857_100000211460 [0,2,0,0,0,0|1,0,1]=4 6332 B17R1.724 C#CCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100010269958 [0,2,0,0,0,0|1,0,1]=4 6333 B17R1.724 C#CCCCNC(=O)C=C(C)c1ccccc1 11a_100000718082_100000743005 [0,2,0,0,0,0|1,0,1]=4 6334 B17R1.724 C#CCCCNC(=O)C=C(C)c1ccccc1 1626a_100000718082_100000743005 [0,2,0,0,0,0|1,0,1]=4 6335 B17R1.724 C#CCCCNC(=O)C=C(C)c1ccccc1 240690a_100000718082_100000743005 [0,2,0,0,0,0|1,0,1]=4 6336 B17R1.724 C#CCCCNC(=O)C=C(C)c1ccccc1 527a_100000718082_100000743005 [0,2,0,0,0,0|1,0,1]=4 6337 B17R1.724 C=CCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215482 [0,2,0,0,0,0|1,0,1]=4 6338 B17R1.724 C=CCCCNC(=O)C=C(C)c1ccccc1 11a_100000700776_100000743005 [0,2,0,0,0,0|1,0,1]=4 6339 B17R1.724 C=CCCCNC(=O)C=C(C)c1ccccc1 1626a_100000700776_100000743005 [0,2,0,0,0,0|1,0,1]=4 6340 B17R1.724 C=CCCCNC(=O)C=C(C)c1ccccc1 240690a_100000700776_100000743005 [0,2,0,0,0,0|1,0,1]=4 6341 B17R1.724 C=CCCCNC(=O)C=C(C)c1ccccc1 527a_100000700776_100000743005 [0,2,0,0,0,0|1,0,1]=4 6342 B17R1.724 CC(=CC(=O)CCCCC#N)c1ccccc1 1458a_100000743005_100000211819 [0,2,0,0,0,0|1,0,1]=4 6343 B17R1.724 CC(=CC(=O)CCCCCF)c1ccccc1 1458a_100000743005_100000729378 [0,2,0,0,0,0|1,0,0]=3 6344 B17R1.724 CC(=CC(=O)CCCCCO)c1ccccc1 1458a_100000743005_100000746330 [0,2,0,0,0,0|1,0,0]=3 6345 B17R1.724 CC(=CC(=O)CCOCCO)c1ccccc1 1458a_100000743005_100011215305 [0,2,0,0,0,0|2,0,0]=4 6346 B17R1.724 CC(=CC(=O)NCCCCO)c1ccccc1 240690a_100000750430_100000743005 [0,2,0,0,0,0|1,0,0]=3 6347 B17R1.724 CC(=CC(=O)NCCCCO)c1ccccc1 527a_100000750430_100000743005 [0,2,0,0,0,0|1,0,0]=3 6348 B17R1.724 CC/C=C\CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100015370543 [0,2,0,0,0,0|1,0,1]=4 6349 B17R1.724 CCCCC=CC(=O)CC(=O)c1ccccc1 1458a_100016266645_100000211460 [0,2,0,0,0,0|1,0,1]=4 6350 B17R1.724 CCCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210757 [0,2,0,0,0,0|1,0,0]=3 6351 B17R1.724 CCCCCCC(=O)CC(=O)c1ccccc1 1458a_100102632555_100000211460 [0,2,0,0,0,0|1,0,1]=4 6352 B17R1.724 CCCCCNC(=O)C=C(C)c1ccccc1 11a_100000209983_100000743005 [0,2,0,0,0,0|1,0,0]=3 6353 B17R1.724 CCCCCNC(=O)C=C(C)c1ccccc1 1626a_100000209983_100000743005 [0,2,0,0,0,0|1,0,0]=3 6354 B17R1.724 CCCCCNC(=O)C=C(C)c1ccccc1 240690a_100000209983_100000743005 [0,2,0,0,0,0|1,0,0]=3 6355 B17R1.724 CCCCCNC(=O)C=C(C)c1ccccc1 527a_100000209983_100000743005 [0,2,0,0,0,0|1,0,0]=3 6356 B17R1.724 CCCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000230301 [0,2,0,0,0,0|1,0,1]=4 6357 B17R1.724 CCCCNCC(=O)NC(=O)c1ccccc1 7a_106832991798_100000010347 [0,2,0,0,0,0|2,0,0]=4 6358 B17R1.724 CCCCNNC(=O)C=C(C)c1ccccc1 22a_100025702795_100000743005 [0,2,0,0,0,0|1,0,0]=3 6359 B17R1.724 CCCCOCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011995733 [0,2,0,0,0,0|0,0,0]=2 6360 B17R1.724 CCCCOCC(=O)CC(=O)c1ccccc1 1458a_100000757543_100000211460 [0,2,0,0,0,0|0,0,1]=3 6361 B17R1.724 CCCCOCC(=O)CC(=O)c1ccccn1 1458a_100000757543_100000027445 [0,2,0,0,0,0|1,0,1]=4 6362 B17R1.724 CCCCOCC(=O)CC(=O)c1cccnc1 1458a_100000757543_100015188593 [0,2,0,0,0,0|1,0,1]=4 6363 B17R1.724 CCCCOCC(=O)CC(=O)c1ccncc1 1458a_100000757543_100000027454 [0,2,0,0,0,0|1,0,1]=4 6364 B17R1.724 CCCCOCC(=O)CC(C)c1ccccc1 1458a_100000183687_100011995733 [0,2,0,0,0,0|0,0,2]=4 6365 B17R1.724 CCCCOCC(=O)CC(C)c1ccccc1 1458a_100000757543_100000756946 [0,2,0,0,0,0|0,0,2]=4 6366 B17R1.724 CCCCOCC(=O)CC(O)c1ccccc1 1458a_100000690199_100011995733 [0,2,0,0,0,0|0,0,2]=4 6367 B17R1.724 CCCCOCC(=O)CC(O)c1ccccc1 1458a_100000757543_100000185958 [0,2,0,0,0,0|0,0,2]=4 6368 B17R1.724 CCCCOCC(=O)CN(C)c1ccccc1 1458a_100000745425_100011995733 [0,2,0,0,0,0|1,0,1]=4 6369 B17R1.724 CCCCOCC(=O)C[C@@H](O)c1ccccc1 1458a_100000757543_100011933945 [0,2,0,0,0,0|0,0,2]=4 6370 B17R1.724 CCCCOCC(=O)NC(=O)c1ccccc1 7a_100000210227_100000010347 [0,2,0,0,0,0|1,0,0]=3 6371 B17R1.724 CCCCOCC(=O)NC(C)c1ccccc1 34a_100000210227_200000243715 [0,2,0,0,0,0|1,0,1]=4 6372 B17R1.724 CCCCOCC(=O)NC(C)c1ccccc1 7a_100000210227_200000243715 [0,2,0,0,0,0|1,0,1]=4 6373 B17R1.724 CCCCOCC(=O)N[C@@H](C)c1ccccc1 34a_100000210227_100011939912 [0,2,0,0,0,0|1,0,1]=4 6374 B17R1.724 CCCCOCC(=O)N[C@@H](C)c1ccccc1 7a_100000210227_100011939912 [0,2,0,0,0,0|1,0,1]=4 6375 B17R1.724 CCCCOCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000757543 [0,2,0,0,0,0|1,0,1]=4 6376 B17R1.724 CCCCOCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000757543 [0,2,0,0,0,0|1,0,1]=4 6377 B17R1.724 CCCCOCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000757543 [0,2,0,0,0,0|1,0,1]=4 6378 B17R1.724 CCCCOCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000757543 [0,2,0,0,0,0|1,0,1]=4 6379 B17R1.724 CCCCSCC(=O)CC(=O)c1ccccc1 1458a_100000191162_100000211460 [0,2,0,0,0,0|0,1,1]=4 6380 B17R1.724 CCCCSCC(=O)NC(=O)c1ccccc1 62a_100000210211_100000010347 [0,2,0,0,0,0|1,1,0]=4 6381 B17R1.724 CCCOCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215938 [0,2,0,0,0,0|1,0,0]=3 6382 B17R1.724 CCOCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100012232248 [0,2,0,0,0,0|1,0,0]=3 6383 B17R1.724 CCOCCNC(=O)C=C(C)c1ccccc1 11a_100011200944_100000743005 [0,2,0,0,0,0|1,0,0]=3 6384 B17R1.724 CCOCCNC(=O)C=C(C)c1ccccc1 1626a_102516460346_100000743005 [0,2,0,0,0,0|1,0,0]=3 6385 B17R1.724 CCOCCNC(=O)C=C(C)c1ccccc1 240690a_100011200944_100000743005 [0,2,0,0,0,0|1,0,0]=3 6386 B17R1.724 CCOCCNC(=O)C=C(C)c1ccccc1 527a_100011200944_100000743005 [0,2,0,0,0,0|1,0,0]=3 6387 B17R1.724 CCOCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200000101388 [0,2,0,0,0,0|0,0,1]=3 6388 B17R1.724 CCOCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200000101388 [0,2,0,0,0,0|1,0,1]=4 6389 B17R1.724 CCOCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200000101388 [0,2,0,0,0,0|1,0,1]=4 6390 B17R1.724 CCOCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200000101388 [0,2,0,0,0,0|1,0,1]=4 6391 B17R1.724 CCSCCNC(=O)C=C(C)c1ccccc1 11a_100000106463_100000743005 [0,2,0,0,0,0|1,0,0]=3 6392 B17R1.724 CCSCCNC(=O)C=C(C)c1ccccc1 1626a_100000106463_100000743005 [0,2,0,0,0,0|1,0,0]=3 6393 B17R1.724 CCSCCNC(=O)C=C(C)c1ccccc1 240690a_100000106463_100000743005 [0,2,0,0,0,0|1,0,0]=3 6394 B17R1.724 CCSCCNC(=O)C=C(C)c1ccccc1 527a_100000106463_100000743005 [0,2,0,0,0,0|1,0,0]=3 6395 B17R1.724 COCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000755781 [0,2,0,0,0,0|1,0,0]=3 6396 B17R1.724 COCCCNC(=O)C=C(C)c1ccccc1 1626a_100150723488_100000743005 [0,2,0,0,0,0|1,0,0]=3 6397 B17R1.724 COCCCNC(=O)C=C(C)c1ccccc1 240690a_100150723488_100000743005 [0,2,0,0,0,0|1,0,0]=3 6398 B17R1.724 COCCCNC(=O)C=C(C)c1ccccc1 527a_100150723488_100000743005 [0,2,0,0,0,0|1,0,0]=3 6399 B17R1.724 COCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183178 [0,2,0,0,0,0|1,0,1]=4 6400 B17R1.724 COCCNNC(=O)C=C(C)c1ccccc1 22a_100000741390_100000743005 [0,2,0,0,0,0|2,0,0]=4 6401 B17R1.724 COCCOCC(=O)CC(=O)c1ccccc1 1458a_100000211095_100000211460 [0,2,0,0,0,0|1,0,1]=4 6402 B17R1.724 CSCCCNC(=O)C=C(C)c1ccccc1 11a_100000749238_100000743005 [0,2,0,0,0,0|1,0,0]=3 6403 B17R1.724 CSCCCNC(=O)C=C(C)c1ccccc1 1626a_100000749238_100000743005 [0,2,0,0,0,0|1,0,0]=3 6404 B17R1.724 CSCCCNC(=O)C=C(C)c1ccccc1 240690a_100000749238_100000743005 [0,2,0,0,0,0|1,0,0]=3 6405 B17R1.724 CSCCCNC(=O)C=C(C)c1ccccc1 527a_100000749238_100000743005 [0,2,0,0,0,0|1,0,0]=3 6406 B17R1.724 CSCCOCC(=O)NC(=O)c1ccccc1 7a_100000230434_100000010347 [0,2,0,0,0,0|2,0,0]=4 6407 B17R1.724 O=C(CCCCCO)CC(=O)c1ccccc1 1458a_100102619762_100000211460 [0,2,0,0,0,0|1,0,1]=4 6408 B17R1.1357 CC(=CC(=O)NCC(C)CO)c1ccccc1 240690a_100000744482_100000743005 [0,2,0,0,0,0|2,0,0]=4 6409 B17R1.1357 CC(=CC(=O)NCC(C)CO)c1ccccc1 527a_100000744482_100000743005 [0,2,0,0,0,0|2,0,0]=4 6410 B17R1.1357 CC(=CC(=O)NC[C@@H](F)CO)c1ccccc1 240690a_100015665980_100000743005 [0,2,0,0,0,0|2,0,0]=4 6411 B17R1.1357 CC(=CC(=O)NC[C@@H](F)CO)c1ccccc1 527a_100015665980_100000743005 [0,2,0,0,0,0|2,0,0]=4 6412 B17R1.1357 CC(=CC(=O)NC[C@H](O)CO)c1ccccc1 240690a_100020644852_100000743005 [0,2,0,0,0,0|2,0,0]=4 6413 B17R1.1357 CC(=CC(=O)NC[C@H](O)CO)c1ccccc1 527a_100020644852_100000743005 [0,2,0,0,0,0|2,0,0]=4 6414 B17R1.1357 CCC(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000701222_100000211460 [0,2,0,0,0,0|1,0,1]=4 6415 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 11a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 6416 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 1626a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 6417 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 240690a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 6418 B17R1.1357 CCC(C)CNC(=O)C=C(C)c1ccccc1 527a_100020588543_100000743005 [0,2,0,0,0,0|1,0,0]=3 6419 B17R1.1357 CCC(C)NNC(=O)C=C(C)c1ccccc1 22a_100000718999_100000743005 [0,2,0,0,0,0|2,0,0]=4 6420 B17R1.1357 CCC(O)CNC(=O)C=C(C)c1ccccc1 11a_100011218483_100000743005 [0,2,0,0,0,0|1,0,0]=3 6421 B17R1.1357 CCC(O)CNC(=O)C=C(C)c1ccccc1 240690a_100011218483_100000743005 [0,2,0,0,0,0|1,0,0]=3 6422 B17R1.1357 CCC(O)CNC(=O)C=C(C)c1ccccc1 527a_100011218483_100000743005 [0,2,0,0,0,0|1,0,0]=3 6423 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 11a_100020591295_100000743005 [0,2,0,0,0,0|2,0,0]=4 6424 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 1626a_100020591295_100000743005 [0,2,0,0,0,0|2,0,0]=4 6425 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 240690a_100020591295_100000743005 [0,2,0,0,0,0|2,0,0]=4 6426 B17R1.1357 CO[C@H](C)CNC(=O)C=C(C)c1ccccc1 527a_100020591295_100000743005 [0,2,0,0,0,0|2,0,0]=4 6427 B17R1.1477 CCCCCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000210326 [0,2,0,0,0,0|2,0,0]=4 6428 B17R1.1477 CCCCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000212188_100000239700 [0,2,0,0,0,0|1,0,1]=4 6429 B17R1.1477 CCCCNC(=O)C(=O)N(C)c1ccccc1 1626a_100000102301_100011297159 [0,2,0,0,0,0|2,0,0]=4 6430 B17R1.1477 CCCCNC(=O)C(=O)N(C)c1ccccc1 240690a_100000102301_100011297159 [0,2,0,0,0,0|2,0,0]=4 6431 B17R1.1477 CCCCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000735917 [0,2,0,0,0,0|1,0,1]=4 6432 B17R1.1477 CCCCOC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000759602 [0,2,0,0,0,0|0,0,1]=3 6433 B17R1.1477 CCCCOC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000759602 [0,2,0,0,0,0|1,0,1]=4 6434 B17R1.1477 CCCCOC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000759602 [0,2,0,0,0,0|1,0,1]=4 6435 B17R1.1477 CCCCOC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000759602 [0,2,0,0,0,0|1,0,1]=4 6436 B17R1.1538 CC(=CC(=O)N(C)CCCO)c1ccccc1 240690a_100000213112_100000743005 [0,2,0,0,0,0|2,0,0]=4 6437 B17R1.1538 CC(=CC(=O)N(C)CCCO)c1ccccc1 527a_100000213112_100000743005 [0,2,0,0,0,0|2,0,0]=4 6438 B17R1.1538 CCCCC(C)C(=O)C=C(C)c1ccccc1 1458a_100000743005_200011215066 [0,2,0,0,0,0|1,0,0]=3 6439 B17R1.1538 CCCCC(C)C(=O)CC(=O)c1ccccc1 1458a_100000725509_100000211460 [0,2,0,0,0,0|1,0,1]=4 6440 B17R1.1538 CCCCC(O)C(=O)CC(=O)c1ccccc1 1458a_100000720857_100000211460 [0,2,0,0,0,0|1,0,1]=4 6441 B17R1.1538 CCCCN(C)C(=O)C=C(C)c1ccccc1 11a_100000207549_100000743005 [0,2,0,0,0,0|1,0,0]=3 6442 B17R1.1538 CCCCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000207549_100000743005 [0,2,0,0,0,0|1,0,0]=3 6443 B17R1.1538 CCCCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000207549_100000743005 [0,2,0,0,0,0|1,0,0]=3 6444 B17R1.1538 CCCCN(C)C(=O)C=C(C)c1ccccc1 527a_100000207549_100000743005 [0,2,0,0,0,0|1,0,0]=3 6445 B17R1.1538 CCCCN(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000230175 [0,2,0,0,0,0|1,0,1]=4 6446 B17R1.1538 COCCN(C)C(=O)C=C(C)c1ccccc1 11a_100000743101_100000743005 [0,2,0,0,0,0|2,0,0]=4 6447 B17R1.1538 COCCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000743101_100000743005 [0,2,0,0,0,0|2,0,0]=4 6448 B17R1.1538 COCCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000743101_100000743005 [0,2,0,0,0,0|2,0,0]=4 6449 B17R1.1538 COCCN(C)C(=O)C=C(C)c1ccccc1 527a_100000743101_100000743005 [0,2,0,0,0,0|2,0,0]=4 6450 B17R1.1538 CSCCN(C)C(=O)C=C(C)c1ccccc1 11a_100000686725_100000743005 [0,2,0,0,0,0|2,0,0]=4 6451 B17R1.1538 CSCCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000686725_100000743005 [0,2,0,0,0,0|2,0,0]=4 6452 B17R1.1538 CSCCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000686725_100000743005 [0,2,0,0,0,0|2,0,0]=4 6453 B17R1.1538 CSCCN(C)C(=O)C=C(C)c1ccccc1 527a_100000686725_100000743005 [0,2,0,0,0,0|2,0,0]=4 6454 B17R1.1634 CC(=CC(=O)N[C@H](C)CCO)c1ccccc1 240690a_100000706166_100000743005 [0,2,0,0,0,0|2,0,0]=4 6455 B17R1.1634 CC(=CC(=O)N[C@H](C)CCO)c1ccccc1 527a_100000706166_100000743005 [0,2,0,0,0,0|2,0,0]=4 6456 B17R1.1634 CCCC(=O)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000747444 [0,2,0,0,0,0|1,0,1]=4 6457 B17R1.1634 CCCC(C)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011216630 [0,2,0,0,0,0|1,0,0]=3 6458 B17R1.1634 CCCC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000748435_100000211460 [0,2,0,0,0,0|1,0,1]=4 6459 B17R1.1634 CCCC(C)NC(=O)C=C(C)c1ccccc1 11a_100000741246_100000743005 [0,2,0,0,0,0|1,0,0]=3 6460 B17R1.1634 CCCC(C)NC(=O)C=C(C)c1ccccc1 1626a_100000741246_100000743005 [0,2,0,0,0,0|1,0,0]=3 6461 B17R1.1634 CCCC(C)NC(=O)C=C(C)c1ccccc1 240690a_100000741246_100000743005 [0,2,0,0,0,0|1,0,0]=3 6462 B17R1.1634 CCCC(C)NC(=O)C=C(C)c1ccccc1 527a_100000741246_100000743005 [0,2,0,0,0,0|1,0,0]=3 6463 B17R1.1634 COC[C@@H](C)NC(=O)C=C(C)c1ccccc1 11a_100000764878_100000743005 [0,2,0,0,0,0|2,0,0]=4 6464 B17R1.1634 COC[C@@H](C)NC(=O)C=C(C)c1ccccc1 1626a_100000764878_100000743005 [0,2,0,0,0,0|2,0,0]=4 6465 B17R1.1634 COC[C@@H](C)NC(=O)C=C(C)c1ccccc1 240690a_100000764878_100000743005 [0,2,0,0,0,0|2,0,0]=4 6466 B17R1.1634 COC[C@@H](C)NC(=O)C=C(C)c1ccccc1 527a_100000764878_100000743005 [0,2,0,0,0,0|2,0,0]=4 6467 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_200012276598 [0,2,0,0,0,0|1,0,1]=4 6468 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Br 1458a_100000212188_100000199116 [0,2,0,0,0,0|1,0,1]=4 6469 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1C 1458a_100000212026_200012276598 [0,2,0,0,0,0|1,0,1]=4 6470 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1C 1458a_100000212188_100000741374 [0,2,0,0,0,0|1,0,1]=4 6471 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_200012276598 [0,2,0,0,0,0|1,0,1]=4 6472 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000212188_100000211432 [0,2,0,0,0,0|1,0,1]=4 6473 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1F 1458a_100000188656_200012276598 [0,2,0,0,0,0|1,0,1]=4 6474 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1F 1458a_100000212188_100000204681 [0,2,0,0,0,0|1,0,1]=4 6475 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1I 1458a_100000187884_200012276598 [0,2,0,0,0,0|1,0,1]=4 6476 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1O 1458a_100000212188_100000188908 [0,2,0,0,0,0|1,0,1]=4 6477 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_200012276598 [0,2,0,0,0,0|1,0,1]=4 6478 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_200012276598 [0,2,0,0,0,0|1,0,1]=4 6479 B17R1.5750 CCCCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000182744 [0,2,0,0,0,0|1,0,1]=4 6480 B17R1.5750 CCCCNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000182744 [0,2,0,0,0,0|1,0,1]=4 6481 B17R1.5750 CCCCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000182744 [0,2,0,0,0,0|1,0,1]=4 6482 B17R1.5750 CCCCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000182744 [0,2,0,0,0,0|1,0,1]=4 6483 B17R1.5750 CCCCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000182744 [0,2,0,0,0,0|1,0,1]=4 6484 B17R1.5750 CCCCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000182744 [0,2,0,0,0,0|1,0,1]=4 6485 B17R1.5750 CCCCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000182744 [0,2,0,0,0,0|1,0,1]=4 6486 B17R1.5750 CCCCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000211628 [0,2,0,0,0,0|0,0,1]=3 6487 B17R1.5750 CCCCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000211628 [0,2,0,0,0,0|0,0,1]=3 6488 B17R1.5750 CCCCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000211628 [0,2,0,0,0,0|0,0,1]=3 6489 B17R1.5750 CCCCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000211628 [0,2,0,0,0,0|0,0,1]=3 6490 B17R1.5750 CCCCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000211628 [0,2,0,0,0,0|0,0,1]=3 6491 B17R1.5750 CCCCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000211628 [0,2,0,0,0,0|0,0,1]=3 6492 B17R1.5750 CCCCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000211628 [0,2,0,0,0,0|0,0,1]=3 6493 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000211628 [0,2,0,0,0,0|1,0,1]=4 6494 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000211628 [0,2,0,0,0,0|1,0,1]=4 6495 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000211628 [0,2,0,0,0,0|1,0,1]=4 6496 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000211628 [0,2,0,0,0,0|1,0,1]=4 6497 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000211628 [0,2,0,0,0,0|1,0,1]=4 6498 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1C 34a_100000219699_100000211628 [0,2,0,0,0,0|1,0,1]=4 6499 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000211628 [0,2,0,0,0,0|1,0,1]=4 6500 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000211628 [0,2,0,0,0,0|1,0,1]=4 6501 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000211628 [0,2,0,0,0,0|1,0,1]=4 6502 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000211628 [0,2,0,0,0,0|1,0,1]=4 6503 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000211628 [0,2,0,0,0,0|1,0,1]=4 6504 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1F 34a_100000220357_100000211628 [0,2,0,0,0,0|1,0,1]=4 6505 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1F 38a_100000220357_100000211628 [0,2,0,0,0,0|1,0,1]=4 6506 B17R1.5750 CCCCOC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000211628 [0,2,0,0,0,0|1,0,1]=4 6507 B17R1.5750 COCCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_200000040189 [0,2,0,0,0,0|1,0,1]=4 6508 B17R1.5750 COCCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_200000040189 [0,2,0,0,0,0|1,0,1]=4 6509 B17R1.5750 COCCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_200000040189 [0,2,0,0,0,0|1,0,1]=4 6510 B17R1.5750 COCCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_200000040189 [0,2,0,0,0,0|1,0,1]=4 6511 B17R1.5750 COCCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_200000040189 [0,2,0,0,0,0|1,0,1]=4 6512 B17R1.5750 COCCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_200000040189 [0,2,0,0,0,0|1,0,1]=4 6513 B17R1.5750 COCCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_200000040189 [0,2,0,0,0,0|1,0,1]=4 6514 B17R1.8949 CCCCOC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000211628 [0,2,0,0,0,0|1,0,1]=4 6515 B17R1.8949 CCCCOC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000211628 [0,2,0,0,0,0|1,0,1]=4 6516 B17R1.8949 CCCCOC(=O)CN(CC)c1ccccc1 34a_100000210013_100000211628 [0,2,0,0,0,0|1,0,1]=4 6517 B17R1.741 C#CCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100010269958 [0,2,0,0,0,0|1,0,1]=4 6518 B17R1.741 C#CCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100010269958 [0,2,0,0,0,0|1,0,1]=4 6519 B17R1.741 C#CCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100010269958 [0,2,0,0,0,0|1,0,1]=4 6520 B17R1.741 C#CCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100010269958 [0,2,0,0,0,0|1,0,1]=4 6521 B17R1.741 C#CCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100010269958 [0,2,0,0,0,0|1,0,1]=4 6522 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000718082_100016267368 [0,2,0,0,0,0|1,0,1]=4 6523 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000718082_100016267368 [0,2,0,0,0,0|1,0,1]=4 6524 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000718082_100000716854 [0,2,0,0,0,0|1,0,1]=4 6525 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000718082_100000716854 [0,2,0,0,0,0|1,0,1]=4 6526 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000718082_100000716854 [0,2,0,0,0,0|1,0,1]=4 6527 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000718082_100000184863 [0,2,0,0,0,0|1,0,1]=4 6528 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000718082_100000184863 [0,2,0,0,0,0|1,0,1]=4 6529 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000718082_100000184863 [0,2,0,0,0,0|1,0,1]=4 6530 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000718082_100000182136 [0,2,0,0,0,0|1,0,1]=4 6531 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000718082_100000182136 [0,2,0,0,0,0|1,0,1]=4 6532 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000718082_100000182136 [0,2,0,0,0,0|1,0,1]=4 6533 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000718082_100102526154 [0,2,0,0,0,0|1,0,1]=4 6534 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000718082_100102526154 [0,2,0,0,0,0|1,0,1]=4 6535 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000718082_100102526154 [0,2,0,0,0,0|1,0,1]=4 6536 B17R1.741 C#CCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000718082_100016269017 [0,2,0,0,0,0|1,0,1]=4 6537 B17R1.741 C=CCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215482 [0,2,0,0,0,0|1,0,1]=4 6538 B17R1.741 C=CCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011215482 [0,2,0,0,0,0|1,0,1]=4 6539 B17R1.741 C=CCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215482 [0,2,0,0,0,0|1,0,1]=4 6540 B17R1.741 C=CCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215482 [0,2,0,0,0,0|1,0,1]=4 6541 B17R1.741 C=CCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215482 [0,2,0,0,0,0|1,0,1]=4 6542 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000700776_100016267368 [0,2,0,0,0,0|1,0,1]=4 6543 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000700776_100016267368 [0,2,0,0,0,0|1,0,1]=4 6544 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000700776_100000716854 [0,2,0,0,0,0|1,0,1]=4 6545 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000700776_100000716854 [0,2,0,0,0,0|1,0,1]=4 6546 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000700776_100000716854 [0,2,0,0,0,0|1,0,1]=4 6547 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000700776_100000184863 [0,2,0,0,0,0|1,0,1]=4 6548 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000700776_100000184863 [0,2,0,0,0,0|1,0,1]=4 6549 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000700776_100000184863 [0,2,0,0,0,0|1,0,1]=4 6550 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000700776_100000182136 [0,2,0,0,0,0|1,0,1]=4 6551 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000700776_100000182136 [0,2,0,0,0,0|1,0,1]=4 6552 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000700776_100000182136 [0,2,0,0,0,0|1,0,1]=4 6553 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000700776_100102526154 [0,2,0,0,0,0|1,0,1]=4 6554 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000700776_100102526154 [0,2,0,0,0,0|1,0,1]=4 6555 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000700776_100102526154 [0,2,0,0,0,0|1,0,1]=4 6556 B17R1.741 C=CCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000700776_100016269017 [0,2,0,0,0,0|1,0,1]=4 6557 B17R1.741 CC/C=C\CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100015370543 [0,2,0,0,0,0|1,0,1]=4 6558 B17R1.741 CC/C=C\CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100015370543 [0,2,0,0,0,0|1,0,1]=4 6559 B17R1.741 CC/C=C\CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100015370543 [0,2,0,0,0,0|1,0,1]=4 6560 B17R1.741 CC/C=C\CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100015370543 [0,2,0,0,0,0|1,0,1]=4 6561 B17R1.741 CC/C=C\CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100015370543 [0,2,0,0,0,0|1,0,1]=4 6562 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210757 [0,2,0,0,0,0|1,0,0]=3 6563 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210989 [0,2,0,0,0,0|1,0,0]=3 6564 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210757 [0,2,0,0,0,0|1,0,0]=3 6565 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210757 [0,2,0,0,0,0|1,0,0]=3 6566 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210757 [0,2,0,0,0,0|1,0,0]=3 6567 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210989 [0,2,0,0,0,0|1,0,0]=3 6568 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210757 [0,2,0,0,0,0|1,0,0]=3 6569 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210989 [0,2,0,0,0,0|1,0,0]=3 6570 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000210989 [0,2,0,0,0,0|2,0,0]=4 6571 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210757 [0,2,0,0,0,0|2,0,0]=4 6572 B17R1.741 CCCCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000210989 [0,2,0,0,0,0|2,0,0]=4 6573 B17R1.741 CCCCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210757 [0,2,0,0,0,0|2,0,0]=4 6574 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000209983_100016267368 [0,2,0,0,0,0|1,0,0]=3 6575 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000209983_100016267368 [0,2,0,0,0,0|1,0,0]=3 6576 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000209983_100000716854 [0,2,0,0,0,0|1,0,0]=3 6577 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000209983_100000716854 [0,2,0,0,0,0|1,0,0]=3 6578 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000209983_100000716854 [0,2,0,0,0,0|1,0,0]=3 6579 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000209983_100000184863 [0,2,0,0,0,0|1,0,0]=3 6580 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000209983_100000184863 [0,2,0,0,0,0|1,0,0]=3 6581 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000209983_100000184863 [0,2,0,0,0,0|1,0,0]=3 6582 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000209983_100000182136 [0,2,0,0,0,0|1,0,0]=3 6583 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000209983_100000182136 [0,2,0,0,0,0|1,0,0]=3 6584 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000209983_100000182136 [0,2,0,0,0,0|1,0,0]=3 6585 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000209983_100102526154 [0,2,0,0,0,0|1,0,0]=3 6586 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000209983_100102526154 [0,2,0,0,0,0|1,0,0]=3 6587 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000209983_100102526154 [0,2,0,0,0,0|1,0,0]=3 6588 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000209983_100016269017 [0,2,0,0,0,0|1,0,0]=3 6589 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cn1)F 11a_100000209983_100020630499 [0,2,0,0,0,0|2,0,0]=4 6590 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000209983_100020630499 [0,2,0,0,0,0|2,0,0]=4 6591 B17R1.741 CCCCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000209983_100020630499 [0,2,0,0,0,0|2,0,0]=4 6592 B17R1.741 CCCCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000209983_100020588214 [0,2,0,0,0,0|2,0,0]=4 6593 B17R1.741 CCCCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000209983_100020588214 [0,2,0,0,0,0|2,0,0]=4 6594 B17R1.741 CCCCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000209983_100020588214 [0,2,0,0,0,0|2,0,0]=4 6595 B17R1.741 CCCCNN=C(C)C=Cc1ccc(cc1)Br 4a_100025702795_200016259395 [0,2,0,0,0,0|2,0,0]=4 6596 B17R1.741 CCCCNN=C(C)C=Cc1ccc(cc1)Cl 4a_100025702795_100016256711 [0,2,0,0,0,0|2,0,0]=4 6597 B17R1.741 CCCCNN=C(C)C=Cc1ccc(cc1)O 4a_100025702795_100000189429 [0,2,0,0,0,0|2,0,0]=4 6598 B17R1.741 CCCCNNC(=O)C=Cc1ccc(cc1)Br 22a_100025702795_100016267368 [0,2,0,0,0,0|1,0,0]=3 6599 B17R1.741 CCCCNNC(=O)C=Cc1ccc(cc1)C 22a_100025702795_100000716854 [0,2,0,0,0,0|1,0,0]=3 6600 B17R1.741 CCCCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100025702795_100000184863 [0,2,0,0,0,0|1,0,0]=3 6601 B17R1.741 CCCCNNC(=O)C=Cc1ccc(cc1)F 22a_100025702795_100000182136 [0,2,0,0,0,0|1,0,0]=3 6602 B17R1.741 CCCCNNC(=O)C=Cc1ccc(cc1)I 22a_100025702795_100102526154 [0,2,0,0,0,0|1,0,0]=3 6603 B17R1.741 CCCCNNC(=O)C=Cc1ccc(cc1)O 22a_100025702795_100016269017 [0,2,0,0,0,0|1,0,0]=3 6604 B17R1.741 CCCCNNC(=O)C=Cc1ccc(cn1)F 22a_100025702795_100020630499 [0,2,0,0,0,0|2,0,0]=4 6605 B17R1.741 CCCCNNC(=O)C=Cc1ccc(nc1)Br 22a_100025702795_100020588214 [0,2,0,0,0,0|2,0,0]=4 6606 B17R1.741 CCCCOCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100011995733 [0,2,0,0,0,0|0,0,2]=4 6607 B17R1.741 CCCCOCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100011995733 [0,2,0,0,0,0|0,0,2]=4 6608 B17R1.741 CCCCOCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100011995733 [0,2,0,0,0,0|0,0,2]=4 6609 B17R1.741 CCCCOCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011995733 [0,2,0,0,0,0|0,0,0]=2 6610 B17R1.741 CCCCOCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011995733 [0,2,0,0,0,0|0,0,0]=2 6611 B17R1.741 CCCCOCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011995733 [0,2,0,0,0,0|0,0,0]=2 6612 B17R1.741 CCCCOCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011995733 [0,2,0,0,0,0|0,0,0]=2 6613 B17R1.741 CCCCOCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011995733 [0,2,0,0,0,0|0,0,0]=2 6614 B17R1.741 CCCCOCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011995733 [0,2,0,0,0,0|1,0,0]=3 6615 B17R1.741 CCCCOCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011995733 [0,2,0,0,0,0|1,0,0]=3 6616 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100011995733 [0,2,0,0,0,0|0,0,2]=4 6617 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)Br 1458a_100000757543_100011740612 [0,2,0,0,0,0|0,0,2]=4 6618 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100011995733 [0,2,0,0,0,0|0,0,2]=4 6619 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)C 1458a_100000757543_100011713686 [0,2,0,0,0,0|0,0,2]=4 6620 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100011995733 [0,2,0,0,0,0|0,0,2]=4 6621 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)Cl 1458a_100000757543_100011713675 [0,2,0,0,0,0|0,0,2]=4 6622 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100011995733 [0,2,0,0,0,0|0,0,2]=4 6623 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)F 1458a_100000757543_100011217392 [0,2,0,0,0,0|0,0,2]=4 6624 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100011995733 [0,2,0,0,0,0|0,0,2]=4 6625 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100011995733 [0,2,0,0,0,0|0,0,2]=4 6626 B17R1.741 CCCCOCC(=O)CCc1ccc(cc1)O 1458a_100000757543_100009816426 [0,2,0,0,0,0|0,0,2]=4 6627 B17R1.741 CCCCOCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100011995733 [0,2,0,0,0,0|1,0,1]=4 6628 B17R1.741 CCCCOCC(=O)COc1ccc(cc1)C 1458a_100000182360_100011995733 [0,2,0,0,0,0|1,0,1]=4 6629 B17R1.741 CCCCOCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100011995733 [0,2,0,0,0,0|1,0,1]=4 6630 B17R1.741 CCCCOCC(=O)COc1ccc(cc1)F 1458a_100000184765_100011995733 [0,2,0,0,0,0|1,0,1]=4 6631 B17R1.741 CCCCOCC(=O)COc1ccc(cc1)I 1458a_100000184369_100011995733 [0,2,0,0,0,0|1,0,1]=4 6632 B17R1.741 CCCCOCC(=O)COc1ccc(cc1)O 1458a_100000031633_100011995733 [0,2,0,0,0,0|1,0,1]=4 6633 B17R1.741 CCCCOCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100011995733 [0,2,0,0,0,0|1,0,1]=4 6634 B17R1.741 CCCCOCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100011995733 [0,2,0,0,0,0|1,0,1]=4 6635 B17R1.741 CCCCOCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100011995733 [0,2,0,0,0,0|1,0,1]=4 6636 B17R1.741 CCCCOCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100011995733 [0,2,0,0,0,0|1,0,1]=4 6637 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000757543 [0,2,0,0,0,0|1,0,1]=4 6638 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000757543 [0,2,0,0,0,0|1,0,1]=4 6639 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000757543 [0,2,0,0,0,0|1,0,1]=4 6640 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000757543 [0,2,0,0,0,0|1,0,1]=4 6641 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000757543 [0,2,0,0,0,0|1,0,1]=4 6642 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000757543 [0,2,0,0,0,0|1,0,1]=4 6643 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000757543 [0,2,0,0,0,0|1,0,1]=4 6644 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)C 34a_100000210227_100000183211 [0,2,0,0,0,0|1,0,1]=4 6645 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000757543 [0,2,0,0,0,0|1,0,1]=4 6646 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)C 7a_100000210227_100000183211 [0,2,0,0,0,0|1,0,1]=4 6647 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000757543 [0,2,0,0,0,0|1,0,1]=4 6648 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000757543 [0,2,0,0,0,0|1,0,1]=4 6649 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000757543 [0,2,0,0,0,0|1,0,1]=4 6650 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Cl 34a_100000210227_100000183476 [0,2,0,0,0,0|1,0,1]=4 6651 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000757543 [0,2,0,0,0,0|1,0,1]=4 6652 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)Cl 7a_100000210227_100000183476 [0,2,0,0,0,0|1,0,1]=4 6653 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000757543 [0,2,0,0,0,0|1,0,1]=4 6654 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000757543 [0,2,0,0,0,0|1,0,1]=4 6655 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000757543 [0,2,0,0,0,0|1,0,1]=4 6656 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)F 34a_100000210227_100000182461 [0,2,0,0,0,0|1,0,1]=4 6657 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000757543 [0,2,0,0,0,0|1,0,1]=4 6658 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)F 7a_100000210227_100000182461 [0,2,0,0,0,0|1,0,1]=4 6659 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000757543 [0,2,0,0,0,0|1,0,1]=4 6660 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000757543 [0,2,0,0,0,0|1,0,1]=4 6661 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000757543 [0,2,0,0,0,0|1,0,1]=4 6662 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000757543 [0,2,0,0,0,0|1,0,1]=4 6663 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000757543 [0,2,0,0,0,0|1,0,1]=4 6664 B17R1.741 CCCCOCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000757543 [0,2,0,0,0,0|1,0,1]=4 6665 B17R1.741 CCCCOCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000757543 [0,2,0,0,0,0|2,0,0]=4 6666 B17R1.741 CCCCOCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000757543 [0,2,0,0,0,0|2,0,0]=4 6667 B17R1.741 CCCCOCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000757543 [0,2,0,0,0,0|2,0,0]=4 6668 B17R1.741 CCCCOCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000757543 [0,2,0,0,0,0|2,0,0]=4 6669 B17R1.741 CCCCOCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000757543 [0,2,0,0,0,0|2,0,0]=4 6670 B17R1.741 CCCOCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215938 [0,2,0,0,0,0|1,0,0]=3 6671 B17R1.741 CCCOCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011215938 [0,2,0,0,0,0|1,0,0]=3 6672 B17R1.741 CCCOCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215938 [0,2,0,0,0,0|1,0,0]=3 6673 B17R1.741 CCCOCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215938 [0,2,0,0,0,0|1,0,0]=3 6674 B17R1.741 CCCOCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215938 [0,2,0,0,0,0|1,0,0]=3 6675 B17R1.741 CCCOCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011215938 [0,2,0,0,0,0|2,0,0]=4 6676 B17R1.741 CCCOCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011215938 [0,2,0,0,0,0|2,0,0]=4 6677 B17R1.741 CCNCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100015204191 [0,2,0,0,0,0|1,0,0]=3 6678 B17R1.741 CCNCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100015204191 [0,2,0,0,0,0|1,0,0]=3 6679 B17R1.741 CCNCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100015204191 [0,2,0,0,0,0|1,0,0]=3 6680 B17R1.741 CCNCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100015204191 [0,2,0,0,0,0|2,0,0]=4 6681 B17R1.741 CCNCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100015204191 [0,2,0,0,0,0|2,0,0]=4 6682 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100012232248 [0,2,0,0,0,0|1,0,0]=3 6683 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000759496 [0,2,0,0,0,0|1,0,0]=3 6684 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100012232248 [0,2,0,0,0,0|1,0,0]=3 6685 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100012232248 [0,2,0,0,0,0|1,0,0]=3 6686 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100012232248 [0,2,0,0,0,0|1,0,0]=3 6687 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000759496 [0,2,0,0,0,0|1,0,0]=3 6688 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100012232248 [0,2,0,0,0,0|1,0,0]=3 6689 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000759496 [0,2,0,0,0,0|1,0,0]=3 6690 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000759496 [0,2,0,0,0,0|2,0,0]=4 6691 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100012232248 [0,2,0,0,0,0|2,0,0]=4 6692 B17R1.741 CCOCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000759496 [0,2,0,0,0,0|2,0,0]=4 6693 B17R1.741 CCOCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100012232248 [0,2,0,0,0,0|2,0,0]=4 6694 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)Br 11a_100011200944_100016267368 [0,2,0,0,0,0|1,0,0]=3 6695 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)Br 1626a_102516460346_100016267368 [0,2,0,0,0,0|1,0,0]=3 6696 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)C 11a_100011200944_100000716854 [0,2,0,0,0,0|1,0,0]=3 6697 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)C 1626a_102516460346_100000716854 [0,2,0,0,0,0|1,0,0]=3 6698 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)C 240690a_100011200944_100000716854 [0,2,0,0,0,0|1,0,0]=3 6699 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100011200944_100000184863 [0,2,0,0,0,0|1,0,0]=3 6700 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_102516460346_100000184863 [0,2,0,0,0,0|1,0,0]=3 6701 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100011200944_100000184863 [0,2,0,0,0,0|1,0,0]=3 6702 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)F 11a_100011200944_100000182136 [0,2,0,0,0,0|1,0,0]=3 6703 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)F 1626a_102516460346_100000182136 [0,2,0,0,0,0|1,0,0]=3 6704 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)F 240690a_100011200944_100000182136 [0,2,0,0,0,0|1,0,0]=3 6705 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)I 11a_100011200944_100102526154 [0,2,0,0,0,0|1,0,0]=3 6706 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)I 1626a_102516460346_100102526154 [0,2,0,0,0,0|1,0,0]=3 6707 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)I 240690a_100011200944_100102526154 [0,2,0,0,0,0|1,0,0]=3 6708 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cc1)O 240690a_100011200944_100016269017 [0,2,0,0,0,0|1,0,0]=3 6709 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cn1)F 11a_100011200944_100020630499 [0,2,0,0,0,0|2,0,0]=4 6710 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cn1)F 1626a_102516460346_100020630499 [0,2,0,0,0,0|2,0,0]=4 6711 B17R1.741 CCOCCNC(=O)C=Cc1ccc(cn1)F 240690a_100011200944_100020630499 [0,2,0,0,0,0|2,0,0]=4 6712 B17R1.741 CCOCCNC(=O)C=Cc1ccc(nc1)Br 11a_100011200944_100020588214 [0,2,0,0,0,0|2,0,0]=4 6713 B17R1.741 CCOCCNC(=O)C=Cc1ccc(nc1)Br 1626a_102516460346_100020588214 [0,2,0,0,0,0|2,0,0]=4 6714 B17R1.741 CCOCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100011200944_100020588214 [0,2,0,0,0,0|2,0,0]=4 6715 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_200000101388 [0,2,0,0,0,0|1,0,1]=4 6716 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_200000101388 [0,2,0,0,0,0|1,0,1]=4 6717 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)C 34a_100000124888_200000101388 [0,2,0,0,0,0|1,0,1]=4 6718 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_200000101388 [0,2,0,0,0,0|1,0,1]=4 6719 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_200000101388 [0,2,0,0,0,0|1,0,1]=4 6720 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)F 34a_100000185862_200000101388 [0,2,0,0,0,0|1,0,1]=4 6721 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)I 34a_100000185761_200000101388 [0,2,0,0,0,0|1,0,1]=4 6722 B17R1.741 CCOCCOC(=O)CNc1ccc(cc1)O 34a_100000185829_200000101388 [0,2,0,0,0,0|1,0,1]=4 6723 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)Br 34a_100000185759_200000101388 [0,2,0,0,0,0|1,0,1]=4 6724 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)Br 7a_100000185759_200000101388 [0,2,0,0,0,0|1,0,1]=4 6725 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)C 34a_100000210336_200000101388 [0,2,0,0,0,0|1,0,1]=4 6726 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)C 7a_100000210336_200000101388 [0,2,0,0,0,0|1,0,1]=4 6727 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_200000101388 [0,2,0,0,0,0|1,0,1]=4 6728 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_200000101388 [0,2,0,0,0,0|1,0,1]=4 6729 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)F 34a_100000210339_200000101388 [0,2,0,0,0,0|1,0,1]=4 6730 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)I 34a_100000212066_200000101388 [0,2,0,0,0,0|1,0,1]=4 6731 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)I 7a_100000212066_200000101388 [0,2,0,0,0,0|1,0,1]=4 6732 B17R1.741 CCOCCOC(=O)COc1ccc(cc1)N 34a_100000185829_200000101388 [0,2,0,0,0,0|1,0,1]=4 6733 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_200000101388 [0,2,0,0,0,0|1,0,1]=4 6734 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)Br 62a_200000101388_100000752885 [0,2,0,0,0,0|1,0,1]=4 6735 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)C 62a_100000186775_200000101388 [0,2,0,0,0,0|1,0,1]=4 6736 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)C 62a_200000101388_100000186775 [0,2,0,0,0,0|1,0,1]=4 6737 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_200000101388 [0,2,0,0,0,0|1,0,1]=4 6738 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)Cl 62a_200000101388_100000755918 [0,2,0,0,0,0|1,0,1]=4 6739 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)F 62a_100000211213_200000101388 [0,2,0,0,0,0|1,0,1]=4 6740 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)F 62a_200000101388_100000211213 [0,2,0,0,0,0|1,0,1]=4 6741 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)N 62a_100000185761_200000101388 [0,2,0,0,0,0|1,0,1]=4 6742 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)N 62a_200000101388_100000185761 [0,2,0,0,0,0|1,0,1]=4 6743 B17R1.741 CCOCCOC(=O)CSc1ccc(cc1)O 62a_200000101388_100000185759 [0,2,0,0,0,0|1,0,1]=4 6744 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000106463_100016267368 [0,2,0,0,0,0|1,0,0]=3 6745 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000106463_100016267368 [0,2,0,0,0,0|1,0,0]=3 6746 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)C 11a_100000106463_100000716854 [0,2,0,0,0,0|1,0,0]=3 6747 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000106463_100000716854 [0,2,0,0,0,0|1,0,0]=3 6748 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000106463_100000716854 [0,2,0,0,0,0|1,0,0]=3 6749 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000106463_100000184863 [0,2,0,0,0,0|1,0,0]=3 6750 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000106463_100000184863 [0,2,0,0,0,0|1,0,0]=3 6751 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000106463_100000184863 [0,2,0,0,0,0|1,0,0]=3 6752 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)F 11a_100000106463_100000182136 [0,2,0,0,0,0|1,0,0]=3 6753 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000106463_100000182136 [0,2,0,0,0,0|1,0,0]=3 6754 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000106463_100000182136 [0,2,0,0,0,0|1,0,0]=3 6755 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)I 11a_100000106463_100102526154 [0,2,0,0,0,0|1,0,0]=3 6756 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000106463_100102526154 [0,2,0,0,0,0|1,0,0]=3 6757 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000106463_100102526154 [0,2,0,0,0,0|1,0,0]=3 6758 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000106463_100016269017 [0,2,0,0,0,0|1,0,0]=3 6759 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cn1)F 11a_100000106463_100020630499 [0,2,0,0,0,0|2,0,0]=4 6760 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000106463_100020630499 [0,2,0,0,0,0|2,0,0]=4 6761 B17R1.741 CCSCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000106463_100020630499 [0,2,0,0,0,0|2,0,0]=4 6762 B17R1.741 CCSCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000106463_100020588214 [0,2,0,0,0,0|2,0,0]=4 6763 B17R1.741 CCSCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000106463_100020588214 [0,2,0,0,0,0|2,0,0]=4 6764 B17R1.741 CCSCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000106463_100020588214 [0,2,0,0,0,0|2,0,0]=4 6765 B17R1.741 CNCCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011320585 [0,2,0,0,0,0|1,0,0]=3 6766 B17R1.741 CNCCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011320585 [0,2,0,0,0,0|1,0,0]=3 6767 B17R1.741 CNCCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011320585 [0,2,0,0,0,0|1,0,0]=3 6768 B17R1.741 CNCCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011320585 [0,2,0,0,0,0|2,0,0]=4 6769 B17R1.741 CNCCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011320585 [0,2,0,0,0,0|2,0,0]=4 6770 B17R1.741 COCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000755781 [0,2,0,0,0,0|1,0,0]=3 6771 B17R1.741 COCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000755781 [0,2,0,0,0,0|1,0,0]=3 6772 B17R1.741 COCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000755781 [0,2,0,0,0,0|1,0,0]=3 6773 B17R1.741 COCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000755781 [0,2,0,0,0,0|1,0,0]=3 6774 B17R1.741 COCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000755781 [0,2,0,0,0,0|1,0,0]=3 6775 B17R1.741 COCCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000755781 [0,2,0,0,0,0|2,0,0]=4 6776 B17R1.741 COCCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000755781 [0,2,0,0,0,0|2,0,0]=4 6777 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100150723488_100016267368 [0,2,0,0,0,0|1,0,0]=3 6778 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100150723488_100000716854 [0,2,0,0,0,0|1,0,0]=3 6779 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100150723488_100000716854 [0,2,0,0,0,0|1,0,0]=3 6780 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100150723488_100000184863 [0,2,0,0,0,0|1,0,0]=3 6781 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100150723488_100000184863 [0,2,0,0,0,0|1,0,0]=3 6782 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100150723488_100000182136 [0,2,0,0,0,0|1,0,0]=3 6783 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100150723488_100000182136 [0,2,0,0,0,0|1,0,0]=3 6784 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100150723488_100102526154 [0,2,0,0,0,0|1,0,0]=3 6785 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100150723488_100102526154 [0,2,0,0,0,0|1,0,0]=3 6786 B17R1.741 COCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100150723488_100016269017 [0,2,0,0,0,0|1,0,0]=3 6787 B17R1.741 COCCCNC(=O)C=Cc1ccc(cn1)F 1626a_100150723488_100020630499 [0,2,0,0,0,0|2,0,0]=4 6788 B17R1.741 COCCCNC(=O)C=Cc1ccc(cn1)F 240690a_100150723488_100020630499 [0,2,0,0,0,0|2,0,0]=4 6789 B17R1.741 COCCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100150723488_100020588214 [0,2,0,0,0,0|2,0,0]=4 6790 B17R1.741 COCCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100150723488_100020588214 [0,2,0,0,0,0|2,0,0]=4 6791 B17R1.741 COCCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000741390_100016267368 [0,2,0,0,0,0|2,0,0]=4 6792 B17R1.741 COCCNNC(=O)C=Cc1ccc(cc1)C 22a_100000741390_100000716854 [0,2,0,0,0,0|2,0,0]=4 6793 B17R1.741 COCCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000741390_100000184863 [0,2,0,0,0,0|2,0,0]=4 6794 B17R1.741 COCCNNC(=O)C=Cc1ccc(cc1)F 22a_100000741390_100000182136 [0,2,0,0,0,0|2,0,0]=4 6795 B17R1.741 COCCNNC(=O)C=Cc1ccc(cc1)I 22a_100000741390_100102526154 [0,2,0,0,0,0|2,0,0]=4 6796 B17R1.741 COCCNNC(=O)C=Cc1ccc(cc1)O 22a_100000741390_100016269017 [0,2,0,0,0,0|2,0,0]=4 6797 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000749238_100016267368 [0,2,0,0,0,0|1,0,0]=3 6798 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000749238_100016267368 [0,2,0,0,0,0|1,0,0]=3 6799 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000749238_100000716854 [0,2,0,0,0,0|1,0,0]=3 6800 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000749238_100000716854 [0,2,0,0,0,0|1,0,0]=3 6801 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000749238_100000716854 [0,2,0,0,0,0|1,0,0]=3 6802 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000749238_100000184863 [0,2,0,0,0,0|1,0,0]=3 6803 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000749238_100000184863 [0,2,0,0,0,0|1,0,0]=3 6804 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000749238_100000184863 [0,2,0,0,0,0|1,0,0]=3 6805 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000749238_100000182136 [0,2,0,0,0,0|1,0,0]=3 6806 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000749238_100000182136 [0,2,0,0,0,0|1,0,0]=3 6807 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000749238_100000182136 [0,2,0,0,0,0|1,0,0]=3 6808 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000749238_100102526154 [0,2,0,0,0,0|1,0,0]=3 6809 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000749238_100102526154 [0,2,0,0,0,0|1,0,0]=3 6810 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000749238_100102526154 [0,2,0,0,0,0|1,0,0]=3 6811 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000749238_100016269017 [0,2,0,0,0,0|1,0,0]=3 6812 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cn1)F 11a_100000749238_100020630499 [0,2,0,0,0,0|2,0,0]=4 6813 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000749238_100020630499 [0,2,0,0,0,0|2,0,0]=4 6814 B17R1.741 CSCCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000749238_100020630499 [0,2,0,0,0,0|2,0,0]=4 6815 B17R1.741 CSCCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000749238_100020588214 [0,2,0,0,0,0|2,0,0]=4 6816 B17R1.741 CSCCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000749238_100020588214 [0,2,0,0,0,0|2,0,0]=4 6817 B17R1.741 CSCCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000749238_100020588214 [0,2,0,0,0,0|2,0,0]=4 6818 B17R1.741 Cc1ccc(cc1)C=CC(=O)CCCCC#N 1458a_100000716854_100000211819 [0,2,0,0,0,0|1,0,1]=4 6819 B17R1.741 Cc1ccc(cc1)C=CC(=O)CCCCCF 1458a_100000716854_100000729378 [0,2,0,0,0,0|1,0,0]=3 6820 B17R1.741 Cc1ccc(cc1)C=CC(=O)CCCCCO 1458a_100000716854_100000746330 [0,2,0,0,0,0|1,0,0]=3 6821 B17R1.741 Cc1ccc(cc1)C=CC(=O)CCOCCO 1458a_100000716854_100011215305 [0,2,0,0,0,0|2,0,0]=4 6822 B17R1.741 Cc1ccc(cc1)C=CC(=O)NCCCCO 240690a_100000750430_100000716854 [0,2,0,0,0,0|1,0,0]=3 6823 B17R1.741 N#CCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000211819 [0,2,0,0,0,0|1,0,1]=4 6824 B17R1.741 N#CCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000211819 [0,2,0,0,0,0|1,0,1]=4 6825 B17R1.741 N#CCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000211819 [0,2,0,0,0,0|1,0,1]=4 6826 B17R1.741 N#CCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000211819 [0,2,0,0,0,0|1,0,1]=4 6827 B17R1.741 O=C(C=Cc1ccc(cc1)Br)CCCCCF 1458a_100016267368_100000729378 [0,2,0,0,0,0|1,0,0]=3 6828 B17R1.741 O=C(C=Cc1ccc(cc1)Br)CCCCCO 1458a_100016267368_100000746330 [0,2,0,0,0,0|1,0,0]=3 6829 B17R1.741 O=C(C=Cc1ccc(cc1)Br)CCOCCO 1458a_100016267368_100011215305 [0,2,0,0,0,0|2,0,0]=4 6830 B17R1.741 O=C(C=Cc1ccc(cc1)Cl)CCCCCF 1458a_100000184863_100000729378 [0,2,0,0,0,0|1,0,0]=3 6831 B17R1.741 O=C(C=Cc1ccc(cc1)Cl)CCCCCO 1458a_100000184863_100000746330 [0,2,0,0,0,0|1,0,0]=3 6832 B17R1.741 O=C(C=Cc1ccc(cc1)Cl)CCOCCO 1458a_100000184863_100011215305 [0,2,0,0,0,0|2,0,0]=4 6833 B17R1.741 O=C(C=Cc1ccc(cc1)Cl)NCCCCO 240690a_100000750430_100000184863 [0,2,0,0,0,0|1,0,0]=3 6834 B17R1.741 O=C(C=Cc1ccc(cc1)F)CCCCCF 1458a_100000182136_100000729378 [0,2,0,0,0,0|1,0,0]=3 6835 B17R1.741 O=C(C=Cc1ccc(cc1)F)CCCCCO 1458a_100000182136_100000746330 [0,2,0,0,0,0|1,0,0]=3 6836 B17R1.741 O=C(C=Cc1ccc(cc1)F)CCOCCO 1458a_100000182136_100011215305 [0,2,0,0,0,0|2,0,0]=4 6837 B17R1.741 O=C(C=Cc1ccc(cc1)F)NCCCCO 240690a_100000750430_100000182136 [0,2,0,0,0,0|1,0,0]=3 6838 B17R1.741 O=C(C=Cc1ccc(cc1)I)CCCCCF 1458a_100102526154_100000729378 [0,2,0,0,0,0|1,0,0]=3 6839 B17R1.741 O=C(C=Cc1ccc(cc1)I)CCCCCO 1458a_100102526154_100000746330 [0,2,0,0,0,0|1,0,0]=3 6840 B17R1.741 O=C(C=Cc1ccc(cc1)I)CCOCCO 1458a_100102526154_100011215305 [0,2,0,0,0,0|2,0,0]=4 6841 B17R1.741 O=C(C=Cc1ccc(cc1)I)NCCCCO 240690a_100000750430_100102526154 [0,2,0,0,0,0|1,0,0]=3 6842 B17R1.741 O=C(C=Cc1ccc(cc1)O)NCCCCO 240690a_100000750430_100016269017 [0,2,0,0,0,0|1,0,0]=3 6843 B17R1.741 O=C(C=Cc1ccc(cn1)F)CCCCCF 1458a_100020630499_100000729378 [0,2,0,0,0,0|2,0,0]=4 6844 B17R1.741 O=C(C=Cc1ccc(cn1)F)CCCCCO 1458a_100020630499_100000746330 [0,2,0,0,0,0|2,0,0]=4 6845 B17R1.741 O=C(C=Cc1ccc(cn1)F)NCCCCO 240690a_100000750430_100020630499 [0,2,0,0,0,0|2,0,0]=4 6846 B17R1.741 O=C(C=Cc1ccc(nc1)Br)CCCCCF 1458a_100020588214_100000729378 [0,2,0,0,0,0|2,0,0]=4 6847 B17R1.741 O=C(C=Cc1ccc(nc1)Br)CCCCCO 1458a_100020588214_100000746330 [0,2,0,0,0,0|2,0,0]=4 6848 B17R1.741 O=C(C=Cc1ccc(nc1)Br)NCCCCO 240690a_100000750430_100020588214 [0,2,0,0,0,0|2,0,0]=4 6849 B17R1.741 O=CCCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000717485 [0,2,0,0,0,0|1,0,1]=4 6850 B17R1.741 O=CCCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000717485 [0,2,0,0,0,0|1,0,1]=4 6851 B17R1.741 O=CCCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000717485 [0,2,0,0,0,0|1,0,1]=4 6852 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215641 [0,2,0,0,0,0|1,0,1]=4 6853 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011215641 [0,2,0,0,0,0|1,0,1]=4 6854 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215641 [0,2,0,0,0,0|1,0,1]=4 6855 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215641 [0,2,0,0,0,0|1,0,1]=4 6856 B17R1.1079 CC(=O)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215641 [0,2,0,0,0,0|1,0,1]=4 6857 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214892 [0,2,0,0,0,0|1,0,0]=3 6858 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000753411 [0,2,0,0,0,0|1,0,0]=3 6859 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214892 [0,2,0,0,0,0|1,0,0]=3 6860 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214892 [0,2,0,0,0,0|1,0,0]=3 6861 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000753411 [0,2,0,0,0,0|1,0,0]=3 6862 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214892 [0,2,0,0,0,0|1,0,0]=3 6863 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000753411 [0,2,0,0,0,0|1,0,0]=3 6864 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000753411 [0,2,0,0,0,0|2,0,0]=4 6865 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011214892 [0,2,0,0,0,0|2,0,0]=4 6866 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000753411 [0,2,0,0,0,0|2,0,0]=4 6867 B17R1.1079 CC(C)CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011214892 [0,2,0,0,0,0|2,0,0]=4 6868 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000210545_100016267368 [0,2,0,0,0,0|1,0,0]=3 6869 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000210545_100016267368 [0,2,0,0,0,0|1,0,0]=3 6870 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210545_100000184863 [0,2,0,0,0,0|1,0,0]=3 6871 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000210545_100000184863 [0,2,0,0,0,0|1,0,0]=3 6872 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210545_100000184863 [0,2,0,0,0,0|1,0,0]=3 6873 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 11a_100000210545_100000182136 [0,2,0,0,0,0|1,0,0]=3 6874 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000210545_100000182136 [0,2,0,0,0,0|1,0,0]=3 6875 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000210545_100000182136 [0,2,0,0,0,0|1,0,0]=3 6876 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 11a_100000210545_100102526154 [0,2,0,0,0,0|1,0,0]=3 6877 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000210545_100102526154 [0,2,0,0,0,0|1,0,0]=3 6878 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000210545_100102526154 [0,2,0,0,0,0|1,0,0]=3 6879 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000210545_100016269017 [0,2,0,0,0,0|1,0,0]=3 6880 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 11a_100000210545_100020630499 [0,2,0,0,0,0|2,0,0]=4 6881 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 1626a_100000210545_100020630499 [0,2,0,0,0,0|2,0,0]=4 6882 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cn1)F 240690a_100000210545_100020630499 [0,2,0,0,0,0|2,0,0]=4 6883 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 11a_100000210545_100020588214 [0,2,0,0,0,0|2,0,0]=4 6884 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000210545_100020588214 [0,2,0,0,0,0|2,0,0]=4 6885 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210545_100020588214 [0,2,0,0,0,0|2,0,0]=4 6886 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)Br 22a_100000696102_100016267368 [0,2,0,0,0,0|2,0,0]=4 6887 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000696102_100000184863 [0,2,0,0,0,0|2,0,0]=4 6888 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)F 22a_100000696102_100000182136 [0,2,0,0,0,0|2,0,0]=4 6889 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)I 22a_100000696102_100102526154 [0,2,0,0,0,0|2,0,0]=4 6890 B17R1.1079 CC(C)CNNC(=O)C=Cc1ccc(cc1)O 22a_100000696102_100016269017 [0,2,0,0,0,0|2,0,0]=4 6891 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000211751 [0,2,0,0,0,0|2,0,0]=4 6892 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011219172 [0,2,0,0,0,0|2,0,0]=4 6893 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000211751 [0,2,0,0,0,0|2,0,0]=4 6894 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000211751 [0,2,0,0,0,0|2,0,0]=4 6895 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011219172 [0,2,0,0,0,0|2,0,0]=4 6896 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000211751 [0,2,0,0,0,0|2,0,0]=4 6897 B17R1.1079 CC(C)OCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011219172 [0,2,0,0,0,0|2,0,0]=4 6898 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000730970 [0,2,0,0,0,0|2,0,0]=4 6899 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000730970 [0,2,0,0,0,0|2,0,0]=4 6900 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000730970 [0,2,0,0,0,0|2,0,0]=4 6901 B17R1.1079 CC(C)SCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000730970 [0,2,0,0,0,0|2,0,0]=4 6902 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000718107 [0,2,0,0,0,0|1,0,0]=3 6903 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000718107 [0,2,0,0,0,0|1,0,0]=3 6904 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000718107 [0,2,0,0,0,0|1,0,0]=3 6905 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000718107 [0,2,0,0,0,0|1,0,0]=3 6906 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000718107 [0,2,0,0,0,0|2,0,0]=4 6907 B17R1.1079 CC(O)CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000718107 [0,2,0,0,0,0|2,0,0]=4 6908 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_200000755665_100000184863 [0,2,0,0,0,0|1,0,0]=3 6909 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)F 240690a_200000755665_100000182136 [0,2,0,0,0,0|1,0,0]=3 6910 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)I 240690a_200000755665_100102526154 [0,2,0,0,0,0|1,0,0]=3 6911 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cc1)O 240690a_200000755665_100016269017 [0,2,0,0,0,0|1,0,0]=3 6912 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(cn1)F 240690a_200000755665_100020630499 [0,2,0,0,0,0|2,0,0]=4 6913 B17R1.1079 CC(O)CCNC(=O)C=Cc1ccc(nc1)Br 240690a_200000755665_100020588214 [0,2,0,0,0,0|2,0,0]=4 6914 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)Br 22a_200000730056_100016267368 [0,2,0,0,0,0|2,0,0]=4 6915 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)Cl 22a_200000730056_100000184863 [0,2,0,0,0,0|2,0,0]=4 6916 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)F 22a_200000730056_100000182136 [0,2,0,0,0,0|2,0,0]=4 6917 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)I 22a_200000730056_100102526154 [0,2,0,0,0,0|2,0,0]=4 6918 B17R1.1079 CC(O)CNNC(=O)C=Cc1ccc(cc1)O 22a_200000730056_100016269017 [0,2,0,0,0,0|2,0,0]=4 6919 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000695564 [0,2,0,0,0,0|2,0,0]=4 6920 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000695564 [0,2,0,0,0,0|2,0,0]=4 6921 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000695564 [0,2,0,0,0,0|2,0,0]=4 6922 B17R1.1079 CN(C)CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000695564 [0,2,0,0,0,0|2,0,0]=4 6923 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210585_100000184863 [0,2,0,0,0,0|2,0,0]=4 6924 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000210585_100000182136 [0,2,0,0,0,0|2,0,0]=4 6925 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000210585_100102526154 [0,2,0,0,0,0|2,0,0]=4 6926 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000210585_100016269017 [0,2,0,0,0,0|2,0,0]=4 6927 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCC(C)C 1458a_100000716854_100011214892 [0,2,0,0,0,0|1,0,0]=3 6928 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCC(C)O 1458a_100000716854_200000718107 [0,2,0,0,0,0|1,0,0]=3 6929 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCCN(C)C 1458a_100000716854_100000695564 [0,2,0,0,0,0|2,0,0]=4 6930 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCOC(C)C 1458a_100000716854_100000211751 [0,2,0,0,0,0|2,0,0]=4 6931 B17R1.1079 Cc1ccc(cc1)C=CC(=O)CCSC(C)C 1458a_100000716854_100000730970 [0,2,0,0,0,0|2,0,0]=4 6932 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 11a_100000210545_100000716854 [0,2,0,0,0,0|1,0,0]=3 6933 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000716854 [0,2,0,0,0,0|1,0,0]=3 6934 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000716854 [0,2,0,0,0,0|1,0,0]=3 6935 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)O 240690a_200000755665_100000716854 [0,2,0,0,0,0|1,0,0]=3 6936 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C 240690a_100000210585_100000716854 [0,2,0,0,0,0|2,0,0]=4 6937 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NNCC(C)C 22a_100000696102_100000716854 [0,2,0,0,0,0|2,0,0]=4 6938 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NNCC(C)O 22a_200000730056_100000716854 [0,2,0,0,0,0|2,0,0]=4 6939 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)CCCCF 1458a_100053117043_100000729493 [0,2,0,0,0,0|2,0,0]=4 6940 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)CCCCO 1458a_100053117043_100000210776 [0,2,0,0,0,0|2,0,0]=4 6941 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)NCCCF 11a_100015189416_100053117043 [0,2,0,0,0,0|2,0,0]=4 6942 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)NCCCF 1626a_100015189416_100053117043 [0,2,0,0,0,0|2,0,0]=4 6943 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)NCCCF 240690a_100015189416_100053117043 [0,2,0,0,0,0|2,0,0]=4 6944 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)NCCCF 527a_100015189416_100053117043 [0,2,0,0,0,0|2,0,0]=4 6945 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)NCCCO 240690a_100000182051_100053117043 [0,2,0,0,0,0|2,0,0]=4 6946 B17R1.1257 C/C(=C\c1ccc(cc1)F)/C(=O)NCCCO 527a_100000182051_100053117043 [0,2,0,0,0,0|2,0,0]=4 6947 B17R1.1257 CCCCCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000210326 [0,2,0,0,0,0|1,0,0]=3 6948 B17R1.1257 CCCCCC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_100000210326 [0,2,0,0,0,0|2,0,0]=4 6949 B17R1.1257 CCCCNC(=O)/C(=C/c1ccc(cc1)F)/C 11a_100000102301_100053117043 [0,2,0,0,0,0|1,0,0]=3 6950 B17R1.1257 CCCCNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100000102301_100053117043 [0,2,0,0,0,0|1,0,0]=3 6951 B17R1.1257 CCCCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100000102301_100053117043 [0,2,0,0,0,0|1,0,0]=3 6952 B17R1.1257 CCCCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100000102301_100053117043 [0,2,0,0,0,0|1,0,0]=3 6953 B17R1.1257 CCCCNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000102301_100000189662 [0,2,0,0,0,0|2,0,0]=4 6954 B17R1.1257 CCCCNC(=O)C(=O)Nc1ccc(cc1)C 240690a_100000102301_100000189662 [0,2,0,0,0,0|2,0,0]=4 6955 B17R1.1257 CCCCNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000102301_100000199041 [0,2,0,0,0,0|2,0,0]=4 6956 B17R1.1257 CCCCNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100000102301_100000199041 [0,2,0,0,0,0|2,0,0]=4 6957 B17R1.1257 CCCCNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000102301_100011297306 [0,2,0,0,0,0|2,0,0]=4 6958 B17R1.1257 CCCCNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100000102301_100011297306 [0,2,0,0,0,0|2,0,0]=4 6959 B17R1.1257 CCCCNC(=O)C(=O)Sc1ccc(cc1)C 11a_100000102301_100009913200 [0,2,0,0,0,0|2,0,0]=4 6960 B17R1.1257 CCCCNC(=O)C(=O)Sc1ccc(cc1)C 1626a_100000102301_100009913200 [0,2,0,0,0,0|2,0,0]=4 6961 B17R1.1257 CCCCNC(=O)C(=O)Sc1ccc(cc1)C 240690a_100000102301_100009913200 [0,2,0,0,0,0|2,0,0]=4 6962 B17R1.1257 CCCCNC(=O)C(=O)Sc1ccc(cc1)C 527a_100000102301_100009913200 [0,2,0,0,0,0|2,0,0]=4 6963 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100000759602 [0,2,0,0,0,0|1,0,1]=4 6964 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)Br 34a_100000210018_100000759602 [0,2,0,0,0,0|1,0,1]=4 6965 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)C 34a_100000124888_100000759602 [0,2,0,0,0,0|1,0,1]=4 6966 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000759602 [0,2,0,0,0,0|1,0,1]=4 6967 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)Cl 34a_100000210052_100000759602 [0,2,0,0,0,0|1,0,1]=4 6968 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)F 34a_100000185862_100000759602 [0,2,0,0,0,0|1,0,1]=4 6969 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100000759602 [0,2,0,0,0,0|1,0,1]=4 6970 B17R1.1257 CCCCOC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000759602 [0,2,0,0,0,0|1,0,1]=4 6971 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)Br 34a_100000185759_100000759602 [0,2,0,0,0,0|1,0,1]=4 6972 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000759602 [0,2,0,0,0,0|1,0,1]=4 6973 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)C 34a_100000210336_100000759602 [0,2,0,0,0,0|1,0,1]=4 6974 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000759602 [0,2,0,0,0,0|1,0,1]=4 6975 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100000759602 [0,2,0,0,0,0|1,0,1]=4 6976 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000759602 [0,2,0,0,0,0|1,0,1]=4 6977 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)F 34a_100000210339_100000759602 [0,2,0,0,0,0|1,0,1]=4 6978 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100000759602 [0,2,0,0,0,0|1,0,1]=4 6979 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000759602 [0,2,0,0,0,0|1,0,1]=4 6980 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(cc1)N 34a_100000185829_100000759602 [0,2,0,0,0,0|1,0,1]=4 6981 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100000759602 [0,2,0,0,0,0|1,0,1]=4 6982 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)Br 62a_100000759602_100000752885 [0,2,0,0,0,0|1,0,1]=4 6983 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100000759602 [0,2,0,0,0,0|1,0,1]=4 6984 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)C 62a_100000759602_100000186775 [0,2,0,0,0,0|1,0,1]=4 6985 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100000759602 [0,2,0,0,0,0|1,0,1]=4 6986 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000759602_100000755918 [0,2,0,0,0,0|1,0,1]=4 6987 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100000759602 [0,2,0,0,0,0|1,0,1]=4 6988 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)F 62a_100000759602_100000211213 [0,2,0,0,0,0|1,0,1]=4 6989 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100000759602 [0,2,0,0,0,0|1,0,1]=4 6990 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)N 62a_100000759602_100000185761 [0,2,0,0,0,0|1,0,1]=4 6991 B17R1.1257 CCCCOC(=O)C(C)Sc1ccc(cc1)O 62a_100000759602_100000185759 [0,2,0,0,0,0|1,0,1]=4 6992 B17R1.1257 CCCNNC(=O)/C(=C/c1ccc(cc1)F)/C 22a_100000740057_100053117043 [0,2,0,0,0,0|2,0,0]=4 6993 B17R1.1257 CCOCCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100011215890 [0,2,0,0,0,0|2,0,0]=4 6994 B17R1.1257 CCSCCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000757381 [0,2,0,0,0,0|2,0,0]=4 6995 B17R1.1257 COCCCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000740836 [0,2,0,0,0,0|2,0,0]=4 6996 B17R1.1257 COCCNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100000209980_100053117043 [0,2,0,0,0,0|2,0,0]=4 6997 B17R1.1257 COCCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100000209980_100053117043 [0,2,0,0,0,0|2,0,0]=4 6998 B17R1.1257 COCCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100000209980_100053117043 [0,2,0,0,0,0|2,0,0]=4 6999 B17R1.1257 CSCCNC(=O)/C(=C/c1ccc(cc1)F)/C 11a_100020590264_100053117043 [0,2,0,0,0,0|2,0,0]=4 7000 B17R1.1257 CSCCNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100020590264_100053117043 [0,2,0,0,0,0|2,0,0]=4 7001 B17R1.1257 CSCCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100020590264_100053117043 [0,2,0,0,0,0|2,0,0]=4 7002 B17R1.1257 CSCCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100020590264_100053117043 [0,2,0,0,0,0|2,0,0]=4 7003 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000744482_100000184863 [0,2,0,0,0,0|2,0,0]=4 7004 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000744482_100000182136 [0,2,0,0,0,0|2,0,0]=4 7005 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000744482_100102526154 [0,2,0,0,0,0|2,0,0]=4 7006 B17R1.1402 CC(CO)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000744482_100016269017 [0,2,0,0,0,0|2,0,0]=4 7007 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100020588543_100016267368 [0,2,0,0,0,0|1,0,0]=3 7008 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100020588543_100016267368 [0,2,0,0,0,0|1,0,0]=3 7009 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)C 11a_100020588543_100000716854 [0,2,0,0,0,0|1,0,0]=3 7010 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)C 1626a_100020588543_100000716854 [0,2,0,0,0,0|1,0,0]=3 7011 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)C 240690a_100020588543_100000716854 [0,2,0,0,0,0|1,0,0]=3 7012 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100020588543_100000184863 [0,2,0,0,0,0|1,0,0]=3 7013 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020588543_100000184863 [0,2,0,0,0,0|1,0,0]=3 7014 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020588543_100000184863 [0,2,0,0,0,0|1,0,0]=3 7015 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100020588543_100000182136 [0,2,0,0,0,0|1,0,0]=3 7016 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100020588543_100000182136 [0,2,0,0,0,0|1,0,0]=3 7017 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100020588543_100000182136 [0,2,0,0,0,0|1,0,0]=3 7018 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100020588543_100102526154 [0,2,0,0,0,0|1,0,0]=3 7019 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100020588543_100102526154 [0,2,0,0,0,0|1,0,0]=3 7020 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100020588543_100102526154 [0,2,0,0,0,0|1,0,0]=3 7021 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100020588543_100016269017 [0,2,0,0,0,0|1,0,0]=3 7022 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cn1)F 11a_100020588543_100020630499 [0,2,0,0,0,0|2,0,0]=4 7023 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100020588543_100020630499 [0,2,0,0,0,0|2,0,0]=4 7024 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100020588543_100020630499 [0,2,0,0,0,0|2,0,0]=4 7025 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100020588543_100020588214 [0,2,0,0,0,0|2,0,0]=4 7026 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100020588543_100020588214 [0,2,0,0,0,0|2,0,0]=4 7027 B17R1.1402 CCC(C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100020588543_100020588214 [0,2,0,0,0,0|2,0,0]=4 7028 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)Br 22a_100000718999_100016267368 [0,2,0,0,0,0|2,0,0]=4 7029 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)C 22a_100000718999_100000716854 [0,2,0,0,0,0|2,0,0]=4 7030 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)Cl 22a_100000718999_100000184863 [0,2,0,0,0,0|2,0,0]=4 7031 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)F 22a_100000718999_100000182136 [0,2,0,0,0,0|2,0,0]=4 7032 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)I 22a_100000718999_100102526154 [0,2,0,0,0,0|2,0,0]=4 7033 B17R1.1402 CCC(C)NNC(=O)C=Cc1ccc(cc1)O 22a_100000718999_100016269017 [0,2,0,0,0,0|2,0,0]=4 7034 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100011218483_100016267368 [0,2,0,0,0,0|1,0,0]=3 7035 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)C 11a_100011218483_100000716854 [0,2,0,0,0,0|1,0,0]=3 7036 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)C 240690a_100011218483_100000716854 [0,2,0,0,0,0|1,0,0]=3 7037 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100011218483_100000184863 [0,2,0,0,0,0|1,0,0]=3 7038 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100011218483_100000184863 [0,2,0,0,0,0|1,0,0]=3 7039 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)F 11a_100011218483_100000182136 [0,2,0,0,0,0|1,0,0]=3 7040 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100011218483_100000182136 [0,2,0,0,0,0|1,0,0]=3 7041 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)I 11a_100011218483_100102526154 [0,2,0,0,0,0|1,0,0]=3 7042 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100011218483_100102526154 [0,2,0,0,0,0|1,0,0]=3 7043 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100011218483_100016269017 [0,2,0,0,0,0|1,0,0]=3 7044 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cn1)F 11a_100011218483_100020630499 [0,2,0,0,0,0|2,0,0]=4 7045 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(cn1)F 240690a_100011218483_100020630499 [0,2,0,0,0,0|2,0,0]=4 7046 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(nc1)Br 11a_100011218483_100020588214 [0,2,0,0,0,0|2,0,0]=4 7047 B17R1.1402 CCC(O)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100011218483_100020588214 [0,2,0,0,0,0|2,0,0]=4 7048 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100020591295_100016267368 [0,2,0,0,0,0|2,0,0]=4 7049 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100020591295_100016267368 [0,2,0,0,0,0|2,0,0]=4 7050 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C 11a_100020591295_100000716854 [0,2,0,0,0,0|2,0,0]=4 7051 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C 1626a_100020591295_100000716854 [0,2,0,0,0,0|2,0,0]=4 7052 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C 240690a_100020591295_100000716854 [0,2,0,0,0,0|2,0,0]=4 7053 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100020591295_100000184863 [0,2,0,0,0,0|2,0,0]=4 7054 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020591295_100000184863 [0,2,0,0,0,0|2,0,0]=4 7055 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020591295_100000184863 [0,2,0,0,0,0|2,0,0]=4 7056 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F 11a_100020591295_100000182136 [0,2,0,0,0,0|2,0,0]=4 7057 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100020591295_100000182136 [0,2,0,0,0,0|2,0,0]=4 7058 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100020591295_100000182136 [0,2,0,0,0,0|2,0,0]=4 7059 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)I 11a_100020591295_100102526154 [0,2,0,0,0,0|2,0,0]=4 7060 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100020591295_100102526154 [0,2,0,0,0,0|2,0,0]=4 7061 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100020591295_100102526154 [0,2,0,0,0,0|2,0,0]=4 7062 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100020591295_100016269017 [0,2,0,0,0,0|2,0,0]=4 7063 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NCC(C)CO 240690a_100000744482_100000716854 [0,2,0,0,0,0|2,0,0]=4 7064 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000716854 [0,2,0,0,0,0|2,0,0]=4 7065 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000716854 [0,2,0,0,0,0|2,0,0]=4 7066 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@@H](F)CO 240690a_100015665980_100000184863 [0,2,0,0,0,0|2,0,0]=4 7067 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@H](O)CO 240690a_100020644852_100000184863 [0,2,0,0,0,0|2,0,0]=4 7068 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@@H](F)CO 240690a_100015665980_100000182136 [0,2,0,0,0,0|2,0,0]=4 7069 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@H](O)CO 240690a_100020644852_100000182136 [0,2,0,0,0,0|2,0,0]=4 7070 B17R1.1402 O=C(C=Cc1ccc(cc1)I)NC[C@@H](F)CO 240690a_100015665980_100102526154 [0,2,0,0,0,0|2,0,0]=4 7071 B17R1.1402 O=C(C=Cc1ccc(cc1)I)NC[C@H](O)CO 240690a_100020644852_100102526154 [0,2,0,0,0,0|2,0,0]=4 7072 B17R1.1402 O=C(C=Cc1ccc(cc1)O)NC[C@@H](F)CO 240690a_100015665980_100016269017 [0,2,0,0,0,0|2,0,0]=4 7073 B17R1.1402 O=C(C=Cc1ccc(cc1)O)NC[C@H](O)CO 240690a_100020644852_100016269017 [0,2,0,0,0,0|2,0,0]=4 7074 B17R1.1606 CCCCC(C)C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200011215066 [0,2,0,0,0,0|1,0,0]=3 7075 B17R1.1606 CCCCC(C)C(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200011215066 [0,2,0,0,0,0|1,0,0]=3 7076 B17R1.1606 CCCCC(C)C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200011215066 [0,2,0,0,0,0|1,0,0]=3 7077 B17R1.1606 CCCCC(C)C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200011215066 [0,2,0,0,0,0|1,0,0]=3 7078 B17R1.1606 CCCCC(C)C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200011215066 [0,2,0,0,0,0|1,0,0]=3 7079 B17R1.1606 CCCCC(C)C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200011215066 [0,2,0,0,0,0|2,0,0]=4 7080 B17R1.1606 CCCCC(C)C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200011215066 [0,2,0,0,0,0|2,0,0]=4 7081 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000207549_100016267368 [0,2,0,0,0,0|1,0,0]=3 7082 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000207549_100016267368 [0,2,0,0,0,0|1,0,0]=3 7083 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000207549_100000716854 [0,2,0,0,0,0|1,0,0]=3 7084 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000207549_100000716854 [0,2,0,0,0,0|1,0,0]=3 7085 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)C 240690a_100000207549_100000716854 [0,2,0,0,0,0|1,0,0]=3 7086 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000207549_100000184863 [0,2,0,0,0,0|1,0,0]=3 7087 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000207549_100000184863 [0,2,0,0,0,0|1,0,0]=3 7088 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000207549_100000184863 [0,2,0,0,0,0|1,0,0]=3 7089 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000207549_100000182136 [0,2,0,0,0,0|1,0,0]=3 7090 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000207549_100000182136 [0,2,0,0,0,0|1,0,0]=3 7091 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000207549_100000182136 [0,2,0,0,0,0|1,0,0]=3 7092 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000207549_100102526154 [0,2,0,0,0,0|1,0,0]=3 7093 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000207549_100102526154 [0,2,0,0,0,0|1,0,0]=3 7094 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000207549_100102526154 [0,2,0,0,0,0|1,0,0]=3 7095 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000207549_100016269017 [0,2,0,0,0,0|1,0,0]=3 7096 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cn1)F 11a_100000207549_100020630499 [0,2,0,0,0,0|2,0,0]=4 7097 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cn1)F 1626a_100000207549_100020630499 [0,2,0,0,0,0|2,0,0]=4 7098 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(cn1)F 240690a_100000207549_100020630499 [0,2,0,0,0,0|2,0,0]=4 7099 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(nc1)Br 11a_100000207549_100020588214 [0,2,0,0,0,0|2,0,0]=4 7100 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(nc1)Br 1626a_100000207549_100020588214 [0,2,0,0,0,0|2,0,0]=4 7101 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(nc1)Br 240690a_100000207549_100020588214 [0,2,0,0,0,0|2,0,0]=4 7102 B17R1.1606 CN(CCCO)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000213112_100000184863 [0,2,0,0,0,0|2,0,0]=4 7103 B17R1.1606 CN(CCCO)C(=O)C=Cc1ccc(cc1)F 240690a_100000213112_100000182136 [0,2,0,0,0,0|2,0,0]=4 7104 B17R1.1606 CN(CCCO)C(=O)C=Cc1ccc(cc1)I 240690a_100000213112_100102526154 [0,2,0,0,0,0|2,0,0]=4 7105 B17R1.1606 CN(CCCO)C(=O)C=Cc1ccc(cc1)O 240690a_100000213112_100016269017 [0,2,0,0,0,0|2,0,0]=4 7106 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000743101_100016267368 [0,2,0,0,0,0|2,0,0]=4 7107 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000743101_100016267368 [0,2,0,0,0,0|2,0,0]=4 7108 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000743101_100000716854 [0,2,0,0,0,0|2,0,0]=4 7109 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000743101_100000716854 [0,2,0,0,0,0|2,0,0]=4 7110 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)C 240690a_100000743101_100000716854 [0,2,0,0,0,0|2,0,0]=4 7111 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000743101_100000184863 [0,2,0,0,0,0|2,0,0]=4 7112 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000743101_100000184863 [0,2,0,0,0,0|2,0,0]=4 7113 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000743101_100000184863 [0,2,0,0,0,0|2,0,0]=4 7114 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000743101_100000182136 [0,2,0,0,0,0|2,0,0]=4 7115 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000743101_100000182136 [0,2,0,0,0,0|2,0,0]=4 7116 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000743101_100000182136 [0,2,0,0,0,0|2,0,0]=4 7117 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000743101_100102526154 [0,2,0,0,0,0|2,0,0]=4 7118 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000743101_100102526154 [0,2,0,0,0,0|2,0,0]=4 7119 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000743101_100102526154 [0,2,0,0,0,0|2,0,0]=4 7120 B17R1.1606 COCCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000743101_100016269017 [0,2,0,0,0,0|2,0,0]=4 7121 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000686725_100016267368 [0,2,0,0,0,0|2,0,0]=4 7122 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000686725_100016267368 [0,2,0,0,0,0|2,0,0]=4 7123 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000686725_100000716854 [0,2,0,0,0,0|2,0,0]=4 7124 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000686725_100000716854 [0,2,0,0,0,0|2,0,0]=4 7125 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)C 240690a_100000686725_100000716854 [0,2,0,0,0,0|2,0,0]=4 7126 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000686725_100000184863 [0,2,0,0,0,0|2,0,0]=4 7127 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000686725_100000184863 [0,2,0,0,0,0|2,0,0]=4 7128 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000686725_100000184863 [0,2,0,0,0,0|2,0,0]=4 7129 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000686725_100000182136 [0,2,0,0,0,0|2,0,0]=4 7130 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000686725_100000182136 [0,2,0,0,0,0|2,0,0]=4 7131 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000686725_100000182136 [0,2,0,0,0,0|2,0,0]=4 7132 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000686725_100102526154 [0,2,0,0,0,0|2,0,0]=4 7133 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000686725_100102526154 [0,2,0,0,0,0|2,0,0]=4 7134 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000686725_100102526154 [0,2,0,0,0,0|2,0,0]=4 7135 B17R1.1606 CSCCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000686725_100016269017 [0,2,0,0,0,0|2,0,0]=4 7136 B17R1.1606 Cc1ccc(cc1)C=CC(=O)N(C)CCCO 240690a_100000213112_100000716854 [0,2,0,0,0,0|2,0,0]=4 7137 B17R1.1689 CCCC(=O)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000747444 [0,2,0,0,0,0|1,0,1]=4 7138 B17R1.1689 CCCC(=O)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000747444 [0,2,0,0,0,0|1,0,1]=4 7139 B17R1.1689 CCCC(=O)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000747444 [0,2,0,0,0,0|1,0,1]=4 7140 B17R1.1689 CCCC(=O)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000747444 [0,2,0,0,0,0|1,0,1]=4 7141 B17R1.1689 CCCC(=O)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000747444 [0,2,0,0,0,0|1,0,1]=4 7142 B17R1.1689 CCCC(C)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011216630 [0,2,0,0,0,0|1,0,0]=3 7143 B17R1.1689 CCCC(C)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011216630 [0,2,0,0,0,0|1,0,0]=3 7144 B17R1.1689 CCCC(C)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011216630 [0,2,0,0,0,0|1,0,0]=3 7145 B17R1.1689 CCCC(C)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011216630 [0,2,0,0,0,0|1,0,0]=3 7146 B17R1.1689 CCCC(C)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011216630 [0,2,0,0,0,0|1,0,0]=3 7147 B17R1.1689 CCCC(C)CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100011216630 [0,2,0,0,0,0|2,0,0]=4 7148 B17R1.1689 CCCC(C)CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100011216630 [0,2,0,0,0,0|2,0,0]=4 7149 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)Br 11a_100000741246_100016267368 [0,2,0,0,0,0|1,0,0]=3 7150 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100000741246_100016267368 [0,2,0,0,0,0|1,0,0]=3 7151 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)C 11a_100000741246_100000716854 [0,2,0,0,0,0|1,0,0]=3 7152 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)C 1626a_100000741246_100000716854 [0,2,0,0,0,0|1,0,0]=3 7153 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)C 240690a_100000741246_100000716854 [0,2,0,0,0,0|1,0,0]=3 7154 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100000741246_100000184863 [0,2,0,0,0,0|1,0,0]=3 7155 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100000741246_100000184863 [0,2,0,0,0,0|1,0,0]=3 7156 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000741246_100000184863 [0,2,0,0,0,0|1,0,0]=3 7157 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)F 11a_100000741246_100000182136 [0,2,0,0,0,0|1,0,0]=3 7158 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)F 1626a_100000741246_100000182136 [0,2,0,0,0,0|1,0,0]=3 7159 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)F 240690a_100000741246_100000182136 [0,2,0,0,0,0|1,0,0]=3 7160 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)I 11a_100000741246_100102526154 [0,2,0,0,0,0|1,0,0]=3 7161 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)I 1626a_100000741246_100102526154 [0,2,0,0,0,0|1,0,0]=3 7162 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)I 240690a_100000741246_100102526154 [0,2,0,0,0,0|1,0,0]=3 7163 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cc1)O 240690a_100000741246_100016269017 [0,2,0,0,0,0|1,0,0]=3 7164 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cn1)F 11a_100000741246_100020630499 [0,2,0,0,0,0|2,0,0]=4 7165 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cn1)F 1626a_100000741246_100020630499 [0,2,0,0,0,0|2,0,0]=4 7166 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(cn1)F 240690a_100000741246_100020630499 [0,2,0,0,0,0|2,0,0]=4 7167 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(nc1)Br 11a_100000741246_100020588214 [0,2,0,0,0,0|2,0,0]=4 7168 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(nc1)Br 1626a_100000741246_100020588214 [0,2,0,0,0,0|2,0,0]=4 7169 B17R1.1689 CCCC(C)NC(=O)C=Cc1ccc(nc1)Br 240690a_100000741246_100020588214 [0,2,0,0,0,0|2,0,0]=4 7170 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Br 11a_100000764878_100016267368 [0,2,0,0,0,0|2,0,0]=4 7171 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100000764878_100016267368 [0,2,0,0,0,0|2,0,0]=4 7172 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)C 11a_100000764878_100000716854 [0,2,0,0,0,0|2,0,0]=4 7173 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)C 1626a_100000764878_100000716854 [0,2,0,0,0,0|2,0,0]=4 7174 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)C 240690a_100000764878_100000716854 [0,2,0,0,0,0|2,0,0]=4 7175 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100000764878_100000184863 [0,2,0,0,0,0|2,0,0]=4 7176 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100000764878_100000184863 [0,2,0,0,0,0|2,0,0]=4 7177 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000764878_100000184863 [0,2,0,0,0,0|2,0,0]=4 7178 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)F 11a_100000764878_100000182136 [0,2,0,0,0,0|2,0,0]=4 7179 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)F 1626a_100000764878_100000182136 [0,2,0,0,0,0|2,0,0]=4 7180 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)F 240690a_100000764878_100000182136 [0,2,0,0,0,0|2,0,0]=4 7181 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)I 11a_100000764878_100102526154 [0,2,0,0,0,0|2,0,0]=4 7182 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)I 1626a_100000764878_100102526154 [0,2,0,0,0,0|2,0,0]=4 7183 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)I 240690a_100000764878_100102526154 [0,2,0,0,0,0|2,0,0]=4 7184 B17R1.1689 COC[C@@H](C)NC(=O)C=Cc1ccc(cc1)O 240690a_100000764878_100016269017 [0,2,0,0,0,0|2,0,0]=4 7185 B17R1.1689 C[C@H](CCO)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000706166_100000184863 [0,2,0,0,0,0|2,0,0]=4 7186 B17R1.1689 C[C@H](CCO)NC(=O)C=Cc1ccc(cc1)F 240690a_100000706166_100000182136 [0,2,0,0,0,0|2,0,0]=4 7187 B17R1.1689 C[C@H](CCO)NC(=O)C=Cc1ccc(cc1)I 240690a_100000706166_100102526154 [0,2,0,0,0,0|2,0,0]=4 7188 B17R1.1689 C[C@H](CCO)NC(=O)C=Cc1ccc(cc1)O 240690a_100000706166_100016269017 [0,2,0,0,0,0|2,0,0]=4 7189 B17R1.1689 Cc1ccc(cc1)C=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000716854 [0,2,0,0,0,0|2,0,0]=4 7190 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210326 [0,2,0,0,0,0|1,0,0]=3 7191 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100011215151 [0,2,0,0,0,0|1,0,0]=3 7192 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210326 [0,2,0,0,0,0|1,0,0]=3 7193 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210326 [0,2,0,0,0,0|1,0,0]=3 7194 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210326 [0,2,0,0,0,0|1,0,0]=3 7195 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100011215151 [0,2,0,0,0,0|1,0,0]=3 7196 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210326 [0,2,0,0,0,0|1,0,0]=3 7197 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100011215151 [0,2,0,0,0,0|1,0,0]=3 7198 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100011215151 [0,2,0,0,0,0|1,0,0]=3 7199 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210326 [0,2,0,0,0,0|1,0,0]=3 7200 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210326 [0,2,0,0,0,0|1,0,0]=3 7201 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100011215151 [0,2,0,0,0,0|1,0,0]=3 7202 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100011215151 [0,2,0,0,0,0|1,0,0]=3 7203 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100011215151 [0,2,0,0,0,0|1,0,0]=3 7204 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100011215151 [0,2,0,0,0,0|1,0,0]=3 7205 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100011215151 [0,2,0,0,0,0|1,0,0]=3 7206 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100011215151 [0,2,0,0,0,0|1,0,0]=3 7207 B17R1.1869 CCCCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100011215151 [0,2,0,0,0,0|1,0,0]=3 7208 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1Br)Br 6a_100000688198_100011215151 [0,2,0,0,0,0|2,0,0]=4 7209 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1Br)Cl 6a_100010064872_100011215151 [0,2,0,0,0,0|2,0,0]=4 7210 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1C)Br 6a_100010185443_100011215151 [0,2,0,0,0,0|2,0,0]=4 7211 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1C)Cl 6a_200009887756_100011215151 [0,2,0,0,0,0|2,0,0]=4 7212 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1Cl)Br 6a_100009814801_100011215151 [0,2,0,0,0,0|2,0,0]=4 7213 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1Cl)Cl 6a_100011361609_100011215151 [0,2,0,0,0,0|2,0,0]=4 7214 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1F)Br 6a_100010180630_100011215151 [0,2,0,0,0,0|2,0,0]=4 7215 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1F)C 6a_100009845184_100011215151 [0,2,0,0,0,0|2,0,0]=4 7216 B17R1.1869 CCCCCC(=O)C=Cc1ncc(cc1F)Cl 6a_100009858488_100011215151 [0,2,0,0,0,0|2,0,0]=4 7217 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Br)F 11a_100000102301_200102591336 [0,2,0,0,0,0|1,0,0]=3 7218 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100000102301_200102591336 [0,2,0,0,0,0|1,0,0]=3 7219 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100000102301_200102591336 [0,2,0,0,0,0|1,0,0]=3 7220 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1C)C 11a_100000102301_100000238256 [0,2,0,0,0,0|1,0,0]=3 7221 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1C)C 1626a_100000102301_100000238256 [0,2,0,0,0,0|1,0,0]=3 7222 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1C)F 11a_100000102301_100016280397 [0,2,0,0,0,0|1,0,0]=3 7223 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1C)F 1626a_100000102301_100016280397 [0,2,0,0,0,0|1,0,0]=3 7224 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100000102301_100102525105 [0,2,0,0,0,0|1,0,0]=3 7225 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100000102301_100102525105 [0,2,0,0,0,0|1,0,0]=3 7226 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100000102301_100102525105 [0,2,0,0,0,0|1,0,0]=3 7227 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100000102301_100016270030 [0,2,0,0,0,0|1,0,0]=3 7228 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100000102301_100016270030 [0,2,0,0,0,0|1,0,0]=3 7229 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100000102301_100016270030 [0,2,0,0,0,0|1,0,0]=3 7230 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)F 11a_100000102301_200102525072 [0,2,0,0,0,0|1,0,0]=3 7231 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100000102301_200102525072 [0,2,0,0,0,0|1,0,0]=3 7232 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100000102301_200102525072 [0,2,0,0,0,0|1,0,0]=3 7233 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Br 11a_100000102301_100011214948 [0,2,0,0,0,0|1,0,0]=3 7234 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100000102301_100011214948 [0,2,0,0,0,0|1,0,0]=3 7235 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100000102301_100011214948 [0,2,0,0,0,0|1,0,0]=3 7236 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Cl 11a_100000102301_100102561868 [0,2,0,0,0,0|1,0,0]=3 7237 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100000102301_100102561868 [0,2,0,0,0,0|1,0,0]=3 7238 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100000102301_100102561868 [0,2,0,0,0,0|1,0,0]=3 7239 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)F 11a_100000102301_100011195072 [0,2,0,0,0,0|1,0,0]=3 7240 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)F 1626a_100000102301_100011195072 [0,2,0,0,0,0|1,0,0]=3 7241 B17R1.1869 CCCCNC(=O)C=Cc1ccc(cc1F)F 240690a_100000102301_100011195072 [0,2,0,0,0,0|1,0,0]=3 7242 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Br)Br 34a_100000211012_100000211628 [0,2,0,0,0,0|1,0,1]=4 7243 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Br)C 34a_100000210942_100000211628 [0,2,0,0,0,0|1,0,1]=4 7244 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000211628 [0,2,0,0,0,0|1,0,1]=4 7245 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Br)F 34a_100000738039_100000211628 [0,2,0,0,0,0|1,0,1]=4 7246 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000211628 [0,2,0,0,0,0|1,0,1]=4 7247 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)Br 34a_100000211769_100000211628 [0,2,0,0,0,0|1,0,1]=4 7248 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)Br 7a_100000211769_100000211628 [0,2,0,0,0,0|1,0,1]=4 7249 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)C 34a_100000736561_100000211628 [0,2,0,0,0,0|1,0,1]=4 7250 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)C 7a_100000736561_100000211628 [0,2,0,0,0,0|1,0,1]=4 7251 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)Cl 34a_100000210418_100000211628 [0,2,0,0,0,0|1,0,1]=4 7252 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)Cl 7a_100000210418_100000211628 [0,2,0,0,0,0|1,0,1]=4 7253 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)F 34a_100000211637_100000211628 [0,2,0,0,0,0|1,0,1]=4 7254 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)F 7a_100000211637_100000211628 [0,2,0,0,0,0|1,0,1]=4 7255 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)I 34a_100000184554_100000211628 [0,2,0,0,0,0|1,0,1]=4 7256 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)I 7a_100000184554_100000211628 [0,2,0,0,0,0|1,0,1]=4 7257 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1C)O 34a_100000756630_100000211628 [0,2,0,0,0,0|1,0,1]=4 7258 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Cl)Br 34a_100000211467_100000211628 [0,2,0,0,0,0|1,0,1]=4 7259 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Cl)C 34a_100000210522_100000211628 [0,2,0,0,0,0|1,0,1]=4 7260 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000211628 [0,2,0,0,0,0|1,0,1]=4 7261 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Cl)F 34a_100000212003_100000211628 [0,2,0,0,0,0|1,0,1]=4 7262 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000211628 [0,2,0,0,0,0|1,0,1]=4 7263 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000211628 [0,2,0,0,0,0|1,0,1]=4 7264 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1F)Br 34a_100000210722_100000211628 [0,2,0,0,0,0|1,0,1]=4 7265 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1F)C 34a_100000211023_100000211628 [0,2,0,0,0,0|1,0,1]=4 7266 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1F)Cl 34a_100000211020_100000211628 [0,2,0,0,0,0|1,0,1]=4 7267 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1F)F 34a_100000210720_100000211628 [0,2,0,0,0,0|1,0,1]=4 7268 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000211628 [0,2,0,0,0,0|1,0,1]=4 7269 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000211628 [0,2,0,0,0,0|1,0,1]=4 7270 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1I)Br 34a_100000187925_100000211628 [0,2,0,0,0,0|1,0,1]=4 7271 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1I)C 34a_100011356834_100000211628 [0,2,0,0,0,0|1,0,1]=4 7272 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1I)Cl 34a_100000761889_100000211628 [0,2,0,0,0,0|1,0,1]=4 7273 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1I)F 34a_100000760547_100000211628 [0,2,0,0,0,0|1,0,1]=4 7274 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000211628 [0,2,0,0,0,0|1,0,1]=4 7275 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000211628 [0,2,0,0,0,0|1,0,1]=4 7276 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1O)C 34a_100000211527_100000211628 [0,2,0,0,0,0|1,0,1]=4 7277 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000211628 [0,2,0,0,0,0|1,0,1]=4 7278 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000211628 [0,2,0,0,0,0|1,0,1]=4 7279 B17R1.1869 CCCCOC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000211628 [0,2,0,0,0,0|1,0,1]=4 7280 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000211628 [0,2,0,0,0,0|1,0,1]=4 7281 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000211628 [0,2,0,0,0,0|1,0,1]=4 7282 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)C 34a_100000210800_100000211628 [0,2,0,0,0,0|1,0,1]=4 7283 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)C 7a_100000210800_100000211628 [0,2,0,0,0,0|1,0,1]=4 7284 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000211628 [0,2,0,0,0,0|1,0,1]=4 7285 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000211628 [0,2,0,0,0,0|1,0,1]=4 7286 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000211628 [0,2,0,0,0,0|1,0,1]=4 7287 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000211628 [0,2,0,0,0,0|1,0,1]=4 7288 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000211628 [0,2,0,0,0,0|1,0,1]=4 7289 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000211628 [0,2,0,0,0,0|1,0,1]=4 7290 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000211628 [0,2,0,0,0,0|1,0,1]=4 7291 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000211628 [0,2,0,0,0,0|1,0,1]=4 7292 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)Br 34a_100000186361_100000211628 [0,2,0,0,0,0|1,0,1]=4 7293 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)Br 7a_100000186361_100000211628 [0,2,0,0,0,0|1,0,1]=4 7294 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)C 34a_100000211776_100000211628 [0,2,0,0,0,0|1,0,1]=4 7295 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)C 7a_100000211776_100000211628 [0,2,0,0,0,0|1,0,1]=4 7296 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)Cl 34a_100000211091_100000211628 [0,2,0,0,0,0|1,0,1]=4 7297 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)Cl 7a_100000211091_100000211628 [0,2,0,0,0,0|1,0,1]=4 7298 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)F 34a_100000764316_100000211628 [0,2,0,0,0,0|1,0,1]=4 7299 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)F 7a_100000764316_100000211628 [0,2,0,0,0,0|1,0,1]=4 7300 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)I 34a_100011218673_100000211628 [0,2,0,0,0,0|1,0,1]=4 7301 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)I 7a_100011218673_100000211628 [0,2,0,0,0,0|1,0,1]=4 7302 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)N 34a_100011218179_100000211628 [0,2,0,0,0,0|1,0,1]=4 7303 B17R1.1869 CCCCOC(=O)COc1ccc(cc1C)N 7a_100011218179_100000211628 [0,2,0,0,0,0|1,0,1]=4 7304 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000211628 [0,2,0,0,0,0|1,0,1]=4 7305 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000211628 [0,2,0,0,0,0|1,0,1]=4 7306 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)C 34a_100000749699_100000211628 [0,2,0,0,0,0|1,0,1]=4 7307 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)C 7a_100000749699_100000211628 [0,2,0,0,0,0|1,0,1]=4 7308 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000211628 [0,2,0,0,0,0|1,0,1]=4 7309 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000211628 [0,2,0,0,0,0|1,0,1]=4 7310 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000211628 [0,2,0,0,0,0|1,0,1]=4 7311 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000211628 [0,2,0,0,0,0|1,0,1]=4 7312 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000211628 [0,2,0,0,0,0|1,0,1]=4 7313 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000211628 [0,2,0,0,0,0|1,0,1]=4 7314 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000211628 [0,2,0,0,0,0|1,0,1]=4 7315 B17R1.1869 CCCCOC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000211628 [0,2,0,0,0,0|1,0,1]=4 7316 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000211628 [0,2,0,0,0,0|1,0,1]=4 7317 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000211628 [0,2,0,0,0,0|1,0,1]=4 7318 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)C 34a_100011216688_100000211628 [0,2,0,0,0,0|1,0,1]=4 7319 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)C 7a_100011216688_100000211628 [0,2,0,0,0,0|1,0,1]=4 7320 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000211628 [0,2,0,0,0,0|1,0,1]=4 7321 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000211628 [0,2,0,0,0,0|1,0,1]=4 7322 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)F 34a_100000230127_100000211628 [0,2,0,0,0,0|1,0,1]=4 7323 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)F 7a_100000230127_100000211628 [0,2,0,0,0,0|1,0,1]=4 7324 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)I 34a_100011356965_100000211628 [0,2,0,0,0,0|1,0,1]=4 7325 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)I 7a_100011356965_100000211628 [0,2,0,0,0,0|1,0,1]=4 7326 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)N 34a_100011220035_100000211628 [0,2,0,0,0,0|1,0,1]=4 7327 B17R1.1869 CCCCOC(=O)COc1ccc(cc1F)N 7a_100011220035_100000211628 [0,2,0,0,0,0|1,0,1]=4 7328 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000211628 [0,2,0,0,0,0|1,0,1]=4 7329 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000211628 [0,2,0,0,0,0|1,0,1]=4 7330 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)C 34a_100000765521_100000211628 [0,2,0,0,0,0|1,0,1]=4 7331 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)C 7a_100000765521_100000211628 [0,2,0,0,0,0|1,0,1]=4 7332 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000211628 [0,2,0,0,0,0|1,0,1]=4 7333 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000211628 [0,2,0,0,0,0|1,0,1]=4 7334 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)F 34a_100012355409_100000211628 [0,2,0,0,0,0|1,0,1]=4 7335 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)F 7a_100012355409_100000211628 [0,2,0,0,0,0|1,0,1]=4 7336 B17R1.1869 CCCCOC(=O)COc1ccc(cc1I)I 7a_100010001573_100000211628 [0,2,0,0,0,0|1,0,1]=4 7337 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000211628 [0,2,0,0,0,0|1,0,1]=4 7338 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000211628 [0,2,0,0,0,0|1,0,1]=4 7339 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)C 34a_100011215204_100000211628 [0,2,0,0,0,0|1,0,1]=4 7340 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)C 7a_100011215204_100000211628 [0,2,0,0,0,0|1,0,1]=4 7341 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000211628 [0,2,0,0,0,0|1,0,1]=4 7342 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000211628 [0,2,0,0,0,0|1,0,1]=4 7343 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)F 34a_100000759472_100000211628 [0,2,0,0,0,0|1,0,1]=4 7344 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)F 7a_100000759472_100000211628 [0,2,0,0,0,0|1,0,1]=4 7345 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)I 34a_100000753495_100000211628 [0,2,0,0,0,0|1,0,1]=4 7346 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)I 7a_100000753495_100000211628 [0,2,0,0,0,0|1,0,1]=4 7347 B17R1.1869 CCCCOC(=O)COc1ccc(cc1N)N 34a_100000725306_100000211628 [0,2,0,0,0,0|1,0,1]=4 7348 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)Br 62a_100000211628_100011484698 [0,2,0,0,0,0|1,0,1]=4 7349 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)Br 62a_100011484698_100000211628 [0,2,0,0,0,0|1,0,1]=4 7350 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)C 62a_100000211628_100009813563 [0,2,0,0,0,0|1,0,1]=4 7351 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)C 62a_100009813563_100000211628 [0,2,0,0,0,0|1,0,1]=4 7352 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)Cl 62a_100000211628_100011219703 [0,2,0,0,0,0|1,0,1]=4 7353 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000211628 [0,2,0,0,0,0|1,0,1]=4 7354 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)F 62a_100000211628_100011217111 [0,2,0,0,0,0|1,0,1]=4 7355 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)F 62a_100011217111_100000211628 [0,2,0,0,0,0|1,0,1]=4 7356 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)N 62a_100000211628_100000750458 [0,2,0,0,0,0|1,0,1]=4 7357 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)N 62a_100000750458_100000211628 [0,2,0,0,0,0|1,0,1]=4 7358 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)O 62a_100000211628_100000701344 [0,2,0,0,0,0|1,0,1]=4 7359 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000211628 [0,2,0,0,0,0|1,0,1]=4 7360 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)Br 62a_100000211628_100000701812 [0,2,0,0,0,0|1,0,1]=4 7361 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)Br 62a_100000701812_100000211628 [0,2,0,0,0,0|1,0,1]=4 7362 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)C 62a_100000211628_100011217332 [0,2,0,0,0,0|1,0,1]=4 7363 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)C 62a_100011217332_100000211628 [0,2,0,0,0,0|1,0,1]=4 7364 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)Cl 62a_100000211628_100011219607 [0,2,0,0,0,0|1,0,1]=4 7365 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)Cl 62a_100011219607_100000211628 [0,2,0,0,0,0|1,0,1]=4 7366 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)F 62a_100000211628_100011205405 [0,2,0,0,0,0|1,0,1]=4 7367 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)F 62a_100011205405_100000211628 [0,2,0,0,0,0|1,0,1]=4 7368 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)N 62a_100000210723_100000211628 [0,2,0,0,0,0|1,0,1]=4 7369 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)N 62a_100000211628_100000210723 [0,2,0,0,0,0|1,0,1]=4 7370 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1C)O 62a_100000211628_100000690111 [0,2,0,0,0,0|1,0,1]=4 7371 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)Br 62a_100000211628_100011216062 [0,2,0,0,0,0|1,0,1]=4 7372 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)Br 62a_100011216062_100000211628 [0,2,0,0,0,0|1,0,1]=4 7373 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)C 62a_100000211628_100011263221 [0,2,0,0,0,0|1,0,1]=4 7374 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)C 62a_100011263221_100000211628 [0,2,0,0,0,0|1,0,1]=4 7375 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)Cl 62a_100000211628_100000699841 [0,2,0,0,0,0|1,0,1]=4 7376 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000211628 [0,2,0,0,0,0|1,0,1]=4 7377 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)F 62a_100000211628_100000733362 [0,2,0,0,0,0|1,0,1]=4 7378 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)F 62a_100000733362_100000211628 [0,2,0,0,0,0|1,0,1]=4 7379 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)N 62a_100000211628_100000761885 [0,2,0,0,0,0|1,0,1]=4 7380 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)N 62a_100000761885_100000211628 [0,2,0,0,0,0|1,0,1]=4 7381 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000211628 [0,2,0,0,0,0|1,0,1]=4 7382 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1Cl)O 62a_100000211628_100000047559 [0,2,0,0,0,0|1,0,1]=4 7383 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)Br 62a_100000211628_100009814013 [0,2,0,0,0,0|1,0,1]=4 7384 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)Br 62a_100009814013_100000211628 [0,2,0,0,0,0|1,0,1]=4 7385 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)C 62a_100000211628_100011216119 [0,2,0,0,0,0|1,0,1]=4 7386 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)C 62a_100011216119_100000211628 [0,2,0,0,0,0|1,0,1]=4 7387 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)Cl 62a_100000211628_100011216042 [0,2,0,0,0,0|1,0,1]=4 7388 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)Cl 62a_100011216042_100000211628 [0,2,0,0,0,0|1,0,1]=4 7389 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)F 62a_100000211628_100000750030 [0,2,0,0,0,0|1,0,1]=4 7390 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)F 62a_100000750030_100000211628 [0,2,0,0,0,0|1,0,1]=4 7391 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)N 62a_100000211628_100011356925 [0,2,0,0,0,0|1,0,1]=4 7392 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)N 62a_100011356925_100000211628 [0,2,0,0,0,0|1,0,1]=4 7393 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)O 62a_100000211628_100000755031 [0,2,0,0,0,0|1,0,1]=4 7394 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000211628 [0,2,0,0,0,0|1,0,1]=4 7395 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)Br 62a_100000211628_100000743836 [0,2,0,0,0,0|1,0,1]=4 7396 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)Br 62a_100000743836_100000211628 [0,2,0,0,0,0|1,0,1]=4 7397 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)C 62a_100000211628_100011216686 [0,2,0,0,0,0|1,0,1]=4 7398 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)C 62a_100011216686_100000211628 [0,2,0,0,0,0|1,0,1]=4 7399 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)Cl 62a_100000211628_100000761886 [0,2,0,0,0,0|1,0,1]=4 7400 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)Cl 62a_100000761886_100000211628 [0,2,0,0,0,0|1,0,1]=4 7401 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)F 62a_100000211628_100000687223 [0,2,0,0,0,0|1,0,1]=4 7402 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)F 62a_100000687223_100000211628 [0,2,0,0,0,0|1,0,1]=4 7403 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)N 62a_100000211628_200012175722 [0,2,0,0,0,0|1,0,1]=4 7404 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)N 62a_200012175722_100000211628 [0,2,0,0,0,0|1,0,1]=4 7405 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)O 62a_100000211628_100011999798 [0,2,0,0,0,0|1,0,1]=4 7406 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000211628 [0,2,0,0,0,0|1,0,1]=4 7407 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)Br 62a_100000211628_100012344904 [0,2,0,0,0,0|1,0,1]=4 7408 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000211628 [0,2,0,0,0,0|1,0,1]=4 7409 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)C 62a_100000211628_100012002257 [0,2,0,0,0,0|1,0,1]=4 7410 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)C 62a_100012002257_100000211628 [0,2,0,0,0,0|1,0,1]=4 7411 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000211628 [0,2,0,0,0,0|1,0,1]=4 7412 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)Cl 62a_100000211628_100000050036 [0,2,0,0,0,0|1,0,1]=4 7413 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)F 62a_100000211628_100000690578 [0,2,0,0,0,0|1,0,1]=4 7414 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000211628 [0,2,0,0,0,0|1,0,1]=4 7415 B17R1.1869 CCCCOC(=O)CSc1ccc(cc1O)O 62a_100000211628_100009813921 [0,2,0,0,0,0|1,0,1]=4 7416 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1Br)F 22a_100000740057_200102591336 [0,2,0,0,0,0|2,0,0]=4 7417 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1C)C 22a_100000740057_100000238256 [0,2,0,0,0,0|2,0,0]=4 7418 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1C)F 22a_100000740057_100016280397 [0,2,0,0,0,0|2,0,0]=4 7419 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1C)O 22a_100000740057_200132309679 [0,2,0,0,0,0|2,0,0]=4 7420 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1Cl)Br 22a_100000740057_100102525105 [0,2,0,0,0,0|2,0,0]=4 7421 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1Cl)Cl 22a_100000740057_100016270030 [0,2,0,0,0,0|2,0,0]=4 7422 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1Cl)F 22a_100000740057_200102525072 [0,2,0,0,0,0|2,0,0]=4 7423 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1F)Br 22a_100000740057_100011214948 [0,2,0,0,0,0|2,0,0]=4 7424 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1F)Cl 22a_100000740057_100102561868 [0,2,0,0,0,0|2,0,0]=4 7425 B17R1.1869 CCCNNC(=O)C=Cc1ccc(cc1F)F 22a_100000740057_100011195072 [0,2,0,0,0,0|2,0,0]=4 7426 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100010632825 [0,2,0,0,0,0|2,0,0]=4 7427 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100010632825 [0,2,0,0,0,0|2,0,0]=4 7428 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100010632825 [0,2,0,0,0,0|2,0,0]=4 7429 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100010632825 [0,2,0,0,0,0|2,0,0]=4 7430 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100010632825 [0,2,0,0,0,0|2,0,0]=4 7431 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100010632825 [0,2,0,0,0,0|2,0,0]=4 7432 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100010632825 [0,2,0,0,0,0|2,0,0]=4 7433 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100010632825 [0,2,0,0,0,0|2,0,0]=4 7434 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100010632825 [0,2,0,0,0,0|2,0,0]=4 7435 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100010632825 [0,2,0,0,0,0|2,0,0]=4 7436 B17R1.1869 CCCOCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100010632825 [0,2,0,0,0,0|2,0,0]=4 7437 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100011343953 [0,2,0,0,0,0|2,0,0]=4 7438 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100011343953 [0,2,0,0,0,0|2,0,0]=4 7439 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100011343953 [0,2,0,0,0,0|2,0,0]=4 7440 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100011343953 [0,2,0,0,0,0|2,0,0]=4 7441 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100011343953 [0,2,0,0,0,0|2,0,0]=4 7442 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100011343953 [0,2,0,0,0,0|2,0,0]=4 7443 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100011343953 [0,2,0,0,0,0|2,0,0]=4 7444 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100011343953 [0,2,0,0,0,0|2,0,0]=4 7445 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100011343953 [0,2,0,0,0,0|2,0,0]=4 7446 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100011343953 [0,2,0,0,0,0|2,0,0]=4 7447 B17R1.1869 CCCSCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100011343953 [0,2,0,0,0,0|2,0,0]=4 7448 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100011215890 [0,2,0,0,0,0|2,0,0]=4 7449 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_200011216536 [0,2,0,0,0,0|2,0,0]=4 7450 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100011215890 [0,2,0,0,0,0|2,0,0]=4 7451 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100011215890 [0,2,0,0,0,0|2,0,0]=4 7452 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100011215890 [0,2,0,0,0,0|2,0,0]=4 7453 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_200011216536 [0,2,0,0,0,0|2,0,0]=4 7454 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100011215890 [0,2,0,0,0,0|2,0,0]=4 7455 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_200011216536 [0,2,0,0,0,0|2,0,0]=4 7456 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_200011216536 [0,2,0,0,0,0|2,0,0]=4 7457 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100011215890 [0,2,0,0,0,0|2,0,0]=4 7458 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100011215890 [0,2,0,0,0,0|2,0,0]=4 7459 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_200011216536 [0,2,0,0,0,0|2,0,0]=4 7460 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_200011216536 [0,2,0,0,0,0|2,0,0]=4 7461 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_200011216536 [0,2,0,0,0,0|2,0,0]=4 7462 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_200011216536 [0,2,0,0,0,0|2,0,0]=4 7463 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_200011216536 [0,2,0,0,0,0|2,0,0]=4 7464 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_200011216536 [0,2,0,0,0,0|2,0,0]=4 7465 B17R1.1869 CCOCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_200011216536 [0,2,0,0,0,0|2,0,0]=4 7466 B17R1.1869 CCSCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000757381 [0,2,0,0,0,0|2,0,0]=4 7467 B17R1.1869 CCSCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000757381 [0,2,0,0,0,0|2,0,0]=4 7468 B17R1.1869 CCSCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000757381 [0,2,0,0,0,0|2,0,0]=4 7469 B17R1.1869 CCSCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000757381 [0,2,0,0,0,0|2,0,0]=4 7470 B17R1.1869 CCSCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000757381 [0,2,0,0,0,0|2,0,0]=4 7471 B17R1.1869 CCSCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000757381 [0,2,0,0,0,0|2,0,0]=4 7472 B17R1.1869 CCSCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000757381 [0,2,0,0,0,0|2,0,0]=4 7473 B17R1.1869 COCCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000740836 [0,2,0,0,0,0|2,0,0]=4 7474 B17R1.1869 COCCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000740836 [0,2,0,0,0,0|2,0,0]=4 7475 B17R1.1869 COCCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000740836 [0,2,0,0,0,0|2,0,0]=4 7476 B17R1.1869 COCCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000740836 [0,2,0,0,0,0|2,0,0]=4 7477 B17R1.1869 COCCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000740836 [0,2,0,0,0,0|2,0,0]=4 7478 B17R1.1869 COCCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000740836 [0,2,0,0,0,0|2,0,0]=4 7479 B17R1.1869 COCCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000740836 [0,2,0,0,0,0|2,0,0]=4 7480 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100000209980_200102591336 [0,2,0,0,0,0|2,0,0]=4 7481 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100000209980_200102591336 [0,2,0,0,0,0|2,0,0]=4 7482 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1C)C 1626a_100000209980_100000238256 [0,2,0,0,0,0|2,0,0]=4 7483 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1C)F 1626a_100000209980_100016280397 [0,2,0,0,0,0|2,0,0]=4 7484 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100000209980_100102525105 [0,2,0,0,0,0|2,0,0]=4 7485 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100000209980_100102525105 [0,2,0,0,0,0|2,0,0]=4 7486 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100000209980_100016270030 [0,2,0,0,0,0|2,0,0]=4 7487 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100000209980_100016270030 [0,2,0,0,0,0|2,0,0]=4 7488 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100000209980_200102525072 [0,2,0,0,0,0|2,0,0]=4 7489 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100000209980_200102525072 [0,2,0,0,0,0|2,0,0]=4 7490 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100000209980_100011214948 [0,2,0,0,0,0|2,0,0]=4 7491 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100000209980_100011214948 [0,2,0,0,0,0|2,0,0]=4 7492 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100000209980_100102561868 [0,2,0,0,0,0|2,0,0]=4 7493 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100000209980_100102561868 [0,2,0,0,0,0|2,0,0]=4 7494 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1F)F 1626a_100000209980_100011195072 [0,2,0,0,0,0|2,0,0]=4 7495 B17R1.1869 COCCNC(=O)C=Cc1ccc(cc1F)F 240690a_100000209980_100011195072 [0,2,0,0,0,0|2,0,0]=4 7496 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100011399439 [0,2,0,0,0,0|2,0,0]=4 7497 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100011399439 [0,2,0,0,0,0|2,0,0]=4 7498 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100011399439 [0,2,0,0,0,0|2,0,0]=4 7499 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100011399439 [0,2,0,0,0,0|2,0,0]=4 7500 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100011399439 [0,2,0,0,0,0|2,0,0]=4 7501 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100011399439 [0,2,0,0,0,0|2,0,0]=4 7502 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100011399439 [0,2,0,0,0,0|2,0,0]=4 7503 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100011399439 [0,2,0,0,0,0|2,0,0]=4 7504 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100011399439 [0,2,0,0,0,0|2,0,0]=4 7505 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100011399439 [0,2,0,0,0,0|2,0,0]=4 7506 B17R1.1869 CSCCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100011399439 [0,2,0,0,0,0|2,0,0]=4 7507 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Br)F 11a_100020590264_200102591336 [0,2,0,0,0,0|2,0,0]=4 7508 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100020590264_200102591336 [0,2,0,0,0,0|2,0,0]=4 7509 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100020590264_200102591336 [0,2,0,0,0,0|2,0,0]=4 7510 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1C)C 11a_100020590264_100000238256 [0,2,0,0,0,0|2,0,0]=4 7511 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1C)C 1626a_100020590264_100000238256 [0,2,0,0,0,0|2,0,0]=4 7512 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1C)F 11a_100020590264_100016280397 [0,2,0,0,0,0|2,0,0]=4 7513 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1C)F 1626a_100020590264_100016280397 [0,2,0,0,0,0|2,0,0]=4 7514 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100020590264_100102525105 [0,2,0,0,0,0|2,0,0]=4 7515 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100020590264_100102525105 [0,2,0,0,0,0|2,0,0]=4 7516 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100020590264_100102525105 [0,2,0,0,0,0|2,0,0]=4 7517 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100020590264_100016270030 [0,2,0,0,0,0|2,0,0]=4 7518 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100020590264_100016270030 [0,2,0,0,0,0|2,0,0]=4 7519 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100020590264_100016270030 [0,2,0,0,0,0|2,0,0]=4 7520 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)F 11a_100020590264_200102525072 [0,2,0,0,0,0|2,0,0]=4 7521 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100020590264_200102525072 [0,2,0,0,0,0|2,0,0]=4 7522 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100020590264_200102525072 [0,2,0,0,0,0|2,0,0]=4 7523 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Br 11a_100020590264_100011214948 [0,2,0,0,0,0|2,0,0]=4 7524 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100020590264_100011214948 [0,2,0,0,0,0|2,0,0]=4 7525 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100020590264_100011214948 [0,2,0,0,0,0|2,0,0]=4 7526 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Cl 11a_100020590264_100102561868 [0,2,0,0,0,0|2,0,0]=4 7527 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100020590264_100102561868 [0,2,0,0,0,0|2,0,0]=4 7528 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100020590264_100102561868 [0,2,0,0,0,0|2,0,0]=4 7529 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)F 11a_100020590264_100011195072 [0,2,0,0,0,0|2,0,0]=4 7530 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)F 1626a_100020590264_100011195072 [0,2,0,0,0,0|2,0,0]=4 7531 B17R1.1869 CSCCNC(=O)C=Cc1ccc(cc1F)F 240690a_100020590264_100011195072 [0,2,0,0,0,0|2,0,0]=4 7532 B17R1.1869 Cc1cc(ccc1C=CC(=O)NCCCF)F 11a_100015189416_100016280397 [0,2,0,0,0,0|2,0,0]=4 7533 B17R1.1869 Cc1cc(ccc1C=CC(=O)NCCCF)F 1626a_100015189416_100016280397 [0,2,0,0,0,0|2,0,0]=4 7534 B17R1.1869 Cc1ccc(c(c1)C)C=CC(=O)NCCCF 11a_100015189416_100000238256 [0,2,0,0,0,0|2,0,0]=4 7535 B17R1.1869 Cc1ccc(c(c1)C)C=CC(=O)NCCCF 1626a_100015189416_100000238256 [0,2,0,0,0,0|2,0,0]=4 7536 B17R1.1869 Cc1ccc(c(c1)F)C=CC(=O)CCCCBr 6a_100011217368_100009817362 [0,2,0,0,0,0|2,0,0]=4 7537 B17R1.1869 Cc1ccc(c(c1)F)C=CC(=O)CCCCCl 6a_100011217368_100000735457 [0,2,0,0,0,0|2,0,0]=4 7538 B17R1.1869 Cc1ccc(c(c1)I)C=CC(=O)CCCCBr 6a_100010150104_100009817362 [0,2,0,0,0,0|2,0,0]=4 7539 B17R1.1869 Cc1ccc(c(c1)I)C=CC(=O)CCCCCl 6a_100010150104_100000735457 [0,2,0,0,0,0|2,0,0]=4 7540 B17R1.1869 O=C(C=Cc1ccc(cc1Br)F)CCCCF 1458a_200102591336_100000729493 [0,2,0,0,0,0|2,0,0]=4 7541 B17R1.1869 O=C(C=Cc1ccc(cc1Br)F)CCCCO 1458a_200102591336_100000210776 [0,2,0,0,0,0|2,0,0]=4 7542 B17R1.1869 O=C(C=Cc1ccc(cc1Br)F)NCCCF 11a_100015189416_200102591336 [0,2,0,0,0,0|2,0,0]=4 7543 B17R1.1869 O=C(C=Cc1ccc(cc1Br)F)NCCCF 1626a_100015189416_200102591336 [0,2,0,0,0,0|2,0,0]=4 7544 B17R1.1869 O=C(C=Cc1ccc(cc1Br)F)NCCCF 240690a_100015189416_200102591336 [0,2,0,0,0,0|2,0,0]=4 7545 B17R1.1869 O=C(C=Cc1ccc(cc1Br)F)NCCCO 240690a_100000182051_200102591336 [0,2,0,0,0,0|2,0,0]=4 7546 B17R1.1869 O=C(C=Cc1ccc(cc1Br)I)CCCCBr 6a_100010185650_100009817362 [0,2,0,0,0,0|2,0,0]=4 7547 B17R1.1869 O=C(C=Cc1ccc(cc1Br)I)CCCCCl 6a_100010185650_100000735457 [0,2,0,0,0,0|2,0,0]=4 7548 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Br)CCCCF 1458a_100102525105_100000729493 [0,2,0,0,0,0|2,0,0]=4 7549 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Br)CCCCO 1458a_100102525105_100000210776 [0,2,0,0,0,0|2,0,0]=4 7550 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Br)NCCCF 11a_100015189416_100102525105 [0,2,0,0,0,0|2,0,0]=4 7551 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Br)NCCCF 1626a_100015189416_100102525105 [0,2,0,0,0,0|2,0,0]=4 7552 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Br)NCCCF 240690a_100015189416_100102525105 [0,2,0,0,0,0|2,0,0]=4 7553 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Br)NCCCO 240690a_100000182051_100102525105 [0,2,0,0,0,0|2,0,0]=4 7554 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)CCCCF 1458a_100016270030_100000729493 [0,2,0,0,0,0|2,0,0]=4 7555 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)CCCCO 1458a_100016270030_100000210776 [0,2,0,0,0,0|2,0,0]=4 7556 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)NCCCF 11a_100015189416_100016270030 [0,2,0,0,0,0|2,0,0]=4 7557 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)NCCCF 1626a_100015189416_100016270030 [0,2,0,0,0,0|2,0,0]=4 7558 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)NCCCF 240690a_100015189416_100016270030 [0,2,0,0,0,0|2,0,0]=4 7559 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)Cl)NCCCO 240690a_100000182051_100016270030 [0,2,0,0,0,0|2,0,0]=4 7560 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)CCCCF 1458a_200102525072_100000729493 [0,2,0,0,0,0|2,0,0]=4 7561 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)CCCCO 1458a_200102525072_100000210776 [0,2,0,0,0,0|2,0,0]=4 7562 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)NCCCF 11a_100015189416_200102525072 [0,2,0,0,0,0|2,0,0]=4 7563 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)NCCCF 1626a_100015189416_200102525072 [0,2,0,0,0,0|2,0,0]=4 7564 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)NCCCF 240690a_100015189416_200102525072 [0,2,0,0,0,0|2,0,0]=4 7565 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)F)NCCCO 240690a_100000182051_200102525072 [0,2,0,0,0,0|2,0,0]=4 7566 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)I)CCCCBr 6a_100000727542_100009817362 [0,2,0,0,0,0|2,0,0]=4 7567 B17R1.1869 O=C(C=Cc1ccc(cc1Cl)I)CCCCCl 6a_100000727542_100000735457 [0,2,0,0,0,0|2,0,0]=4 7568 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)CCCCBr 6a_100000211676_100009817362 [0,2,0,0,0,0|2,0,0]=4 7569 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)CCCCCl 6a_100000211676_100000735457 [0,2,0,0,0,0|2,0,0]=4 7570 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)CCCCF 1458a_100011214948_100000729493 [0,2,0,0,0,0|2,0,0]=4 7571 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)CCCCO 1458a_100011214948_100000210776 [0,2,0,0,0,0|2,0,0]=4 7572 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)NCCCF 11a_100015189416_100011214948 [0,2,0,0,0,0|2,0,0]=4 7573 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)NCCCF 1626a_100015189416_100011214948 [0,2,0,0,0,0|2,0,0]=4 7574 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)NCCCF 240690a_100015189416_100011214948 [0,2,0,0,0,0|2,0,0]=4 7575 B17R1.1869 O=C(C=Cc1ccc(cc1F)Br)NCCCO 240690a_100000182051_100011214948 [0,2,0,0,0,0|2,0,0]=4 7576 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)CCCCF 1458a_100102561868_100000729493 [0,2,0,0,0,0|2,0,0]=4 7577 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)CCCCO 1458a_100102561868_100000210776 [0,2,0,0,0,0|2,0,0]=4 7578 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)NCCCF 11a_100015189416_100102561868 [0,2,0,0,0,0|2,0,0]=4 7579 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)NCCCF 1626a_100015189416_100102561868 [0,2,0,0,0,0|2,0,0]=4 7580 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)NCCCF 240690a_100015189416_100102561868 [0,2,0,0,0,0|2,0,0]=4 7581 B17R1.1869 O=C(C=Cc1ccc(cc1F)Cl)NCCCO 240690a_100000182051_100102561868 [0,2,0,0,0,0|2,0,0]=4 7582 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)CCCCBr 6a_100000211964_100009817362 [0,2,0,0,0,0|2,0,0]=4 7583 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)CCCCCl 6a_100000211964_100000735457 [0,2,0,0,0,0|2,0,0]=4 7584 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)CCCCF 1458a_100011195072_100000729493 [0,2,0,0,0,0|2,0,0]=4 7585 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)CCCCO 1458a_100011195072_100000210776 [0,2,0,0,0,0|2,0,0]=4 7586 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)NCCCF 11a_100015189416_100011195072 [0,2,0,0,0,0|2,0,0]=4 7587 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)NCCCF 1626a_100015189416_100011195072 [0,2,0,0,0,0|2,0,0]=4 7588 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)NCCCF 240690a_100015189416_100011195072 [0,2,0,0,0,0|2,0,0]=4 7589 B17R1.1869 O=C(C=Cc1ccc(cc1F)F)NCCCO 240690a_100000182051_100011195072 [0,2,0,0,0,0|2,0,0]=4 7590 B17R1.1869 O=C(C=Cc1ccc(cc1F)I)CCCCBr 6a_100000050965_100009817362 [0,2,0,0,0,0|2,0,0]=4 7591 B17R1.1869 O=C(C=Cc1ccc(cc1F)I)CCCCCl 6a_100000050965_100000735457 [0,2,0,0,0,0|2,0,0]=4 7592 B17R1.1869 O=C(C=Cc1ccc(cc1I)Br)CCCCBr 6a_100010146562_100009817362 [0,2,0,0,0,0|2,0,0]=4 7593 B17R1.1869 O=C(C=Cc1ccc(cc1I)Br)CCCCCl 6a_100010146562_100000735457 [0,2,0,0,0,0|2,0,0]=4 7594 B17R1.1869 O=C(C=Cc1ccc(cc1I)F)CCCCBr 6a_100010254405_100009817362 [0,2,0,0,0,0|2,0,0]=4 7595 B17R1.1869 O=C(C=Cc1ccc(cc1I)F)CCCCCl 6a_100010254405_100000735457 [0,2,0,0,0,0|2,0,0]=4 7596 B17R1.1869 O=C(C=Cc1ccc(cc1I)O)CCCCBr 6a_100000051608_100009817362 [0,2,0,0,0,0|2,0,0]=4 7597 B17R1.1869 O=C(C=Cc1ccc(cc1I)O)CCCCCl 6a_100000051608_100000735457 [0,2,0,0,0,0|2,0,0]=4 7598 B17R1.1869 O=C(C=Cc1ccc(cc1O)I)CCCCBr 6a_100000050530_100009817362 [0,2,0,0,0,0|2,0,0]=4 7599 B17R1.1869 O=C(C=Cc1ccc(cc1O)I)CCCCCl 6a_100000050530_100000735457 [0,2,0,0,0,0|2,0,0]=4 7600 B17R1.1871 C#Cc1ccc(cc1)NCC(=O)OCCCC 34a_100011215031_100000211628 [0,2,0,0,0,0|1,0,1]=4 7601 B17R1.1871 C=Cc1ccc(cc1)NCC(=O)OCCCC 34a_100011218248_100000211628 [0,2,0,0,0,0|1,0,1]=4 7602 B17R1.1871 C=Cc1ccc(cc1)OCC(=O)OCCCC 34a_100000189437_100000211628 [0,2,0,0,0,0|1,0,1]=4 7603 B17R1.1871 C=Cc1ccc(cc1)OCC(=O)OCCCC 7a_100000189437_100000211628 [0,2,0,0,0,0|1,0,1]=4 7604 B17R1.1871 C=Cc1ccc(cc1)SCC(=O)OCCCC 62a_100000211628_100000748128 [0,2,0,0,0,0|1,0,1]=4 7605 B17R1.1871 C=Cc1ccc(cc1)SCC(=O)OCCCC 62a_100000748128_100000211628 [0,2,0,0,0,0|1,0,1]=4 7606 B17R1.1871 CCCCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000210326 [0,2,0,0,0,0|1,0,0]=3 7607 B17R1.1871 CCCCCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210326 [0,2,0,0,0,0|1,0,0]=3 7608 B17R1.1871 CCCCCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210326 [0,2,0,0,0,0|1,0,0]=3 7609 B17R1.1871 CCCCCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210326 [0,2,0,0,0,0|1,0,0]=3 7610 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)C#N 11a_100000102301_100000185084 [0,2,0,0,0,0|1,0,0]=3 7611 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100000102301_100000185084 [0,2,0,0,0,0|1,0,0]=3 7612 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100000102301_100000185084 [0,2,0,0,0,0|1,0,0]=3 7613 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)CC 11a_100000102301_100000187855 [0,2,0,0,0,0|1,0,0]=3 7614 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)CC 1626a_100000102301_100000187855 [0,2,0,0,0,0|1,0,0]=3 7615 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)CC 240690a_100000102301_100000187855 [0,2,0,0,0,0|1,0,0]=3 7616 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)OC 11a_100000102301_100000184205 [0,2,0,0,0,0|1,0,0]=3 7617 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)OC 1626a_100000102301_100000184205 [0,2,0,0,0,0|1,0,0]=3 7618 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)OC 527a_100000102301_100000184205 [0,2,0,0,0,0|1,0,0]=3 7619 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)SC 11a_100000102301_100102526083 [0,2,0,0,0,0|1,0,0]=3 7620 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)SC 1626a_100000102301_100102526083 [0,2,0,0,0,0|1,0,0]=3 7621 B17R1.1871 CCCCNC(=O)C=Cc1ccc(cc1)SC 240690a_100000102301_100102526083 [0,2,0,0,0,0|1,0,0]=3 7622 B17R1.1871 CCCCOC(=O)CNc1ccc(cc1)C#N 34a_100000185469_100000211628 [0,2,0,0,0,0|1,0,1]=4 7623 B17R1.1871 CCCCOC(=O)CNc1ccc(cc1)CC 2230a_100000211069_100000211628 [0,2,0,0,0,0|1,0,1]=4 7624 B17R1.1871 CCCCOC(=O)CNc1ccc(cc1)CC 34a_100000211069_100000211628 [0,2,0,0,0,0|1,0,1]=4 7625 B17R1.1871 CCCCOC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000211628 [0,2,0,0,0,0|1,0,1]=4 7626 B17R1.1871 CCCCOC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000211628 [0,2,0,0,0,0|1,0,1]=4 7627 B17R1.1871 CCCCOC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000211628 [0,2,0,0,0,0|1,0,1]=4 7628 B17R1.1871 CCCCOC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000211628 [0,2,0,0,0,0|1,0,1]=4 7629 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)C#N 34a_100000210344_100000211628 [0,2,0,0,0,0|1,0,1]=4 7630 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)C#N 7a_100000210344_100000211628 [0,2,0,0,0,0|1,0,1]=4 7631 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)CC 34a_100000211359_100000211628 [0,2,0,0,0,0|1,0,1]=4 7632 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)CC 7a_100000211359_100000211628 [0,2,0,0,0,0|1,0,1]=4 7633 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)CN 34a_100000185549_100000211628 [0,2,0,0,0,0|1,0,1]=4 7634 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)CO 34a_100000211755_100000211628 [0,2,0,0,0,0|1,0,1]=4 7635 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)NC 34a_100000182112_100000211628 [0,2,0,0,0,0|1,0,1]=4 7636 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)OC 34a_100000210503_100000211628 [0,2,0,0,0,0|1,0,1]=4 7637 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)SC 34a_100000211864_100000211628 [0,2,0,0,0,0|1,0,1]=4 7638 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)C#N 62a_100000211628_100000184291 [0,2,0,0,0,0|1,0,1]=4 7639 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)C=O 62a_100000188517_100000211628 [0,2,0,0,0,0|1,0,1]=4 7640 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)C=O 62a_100000211628_100000188517 [0,2,0,0,0,0|1,0,1]=4 7641 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CC 62a_100000211628_100011215824 [0,2,0,0,0,0|1,0,1]=4 7642 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CC 62a_100011215824_100000211628 [0,2,0,0,0,0|1,0,1]=4 7643 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CF 62a_100000211628_100010268989 [0,2,0,0,0,0|1,0,1]=4 7644 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000211628 [0,2,0,0,0,0|1,0,1]=4 7645 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CN 62a_100000211628_100016989417 [0,2,0,0,0,0|1,0,1]=4 7646 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CN 62a_100016989417_100000211628 [0,2,0,0,0,0|1,0,1]=4 7647 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CO 62a_100000211628_100000690907 [0,2,0,0,0,0|1,0,1]=4 7648 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000211628 [0,2,0,0,0,0|1,0,1]=4 7649 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)NC 62a_100000211628_100000743151 [0,2,0,0,0,0|1,0,1]=4 7650 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)NC 62a_100000743151_100000211628 [0,2,0,0,0,0|1,0,1]=4 7651 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)NN 62a_100000211628_100016988836 [0,2,0,0,0,0|1,0,1]=4 7652 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)NN 62a_100016988836_100000211628 [0,2,0,0,0,0|1,0,1]=4 7653 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)OC 62a_100000211628_100000171711 [0,2,0,0,0,0|1,0,1]=4 7654 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)SC 62a_100000211628_100011263217 [0,2,0,0,0,0|1,0,1]=4 7655 B17R1.1871 CCCCOC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000211628 [0,2,0,0,0,0|1,0,1]=4 7656 B17R1.1871 CCCNNC(=O)C=Cc1ccc(cc1)C#N 22a_100000740057_100000185084 [0,2,0,0,0,0|2,0,0]=4 7657 B17R1.1871 CCCNNC(=O)C=Cc1ccc(cc1)CC 22a_100000740057_100000187855 [0,2,0,0,0,0|2,0,0]=4 7658 B17R1.1871 CCCNNC(=O)C=Cc1ccc(cc1)OC 22a_100000740057_100000184205 [0,2,0,0,0,0|2,0,0]=4 7659 B17R1.1871 CCCNNC(=O)C=Cc1ccc(cc1)SC 22a_100000740057_100102526083 [0,2,0,0,0,0|2,0,0]=4 7660 B17R1.1871 CCOCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100011215890 [0,2,0,0,0,0|2,0,0]=4 7661 B17R1.1871 CCOCCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100011215890 [0,2,0,0,0,0|2,0,0]=4 7662 B17R1.1871 CCOCCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100011215890 [0,2,0,0,0,0|2,0,0]=4 7663 B17R1.1871 CCOCCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100011215890 [0,2,0,0,0,0|2,0,0]=4 7664 B17R1.1871 CCSCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000757381 [0,2,0,0,0,0|2,0,0]=4 7665 B17R1.1871 CCSCCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000757381 [0,2,0,0,0,0|2,0,0]=4 7666 B17R1.1871 CCSCCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000757381 [0,2,0,0,0,0|2,0,0]=4 7667 B17R1.1871 CCSCCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000757381 [0,2,0,0,0,0|2,0,0]=4 7668 B17R1.1871 CCc1ccc(cc1)C=CC(=O)CCCCF 1458a_100000187855_100000729493 [0,2,0,0,0,0|2,0,0]=4 7669 B17R1.1871 CCc1ccc(cc1)C=CC(=O)CCCCO 1458a_100000187855_100000210776 [0,2,0,0,0,0|2,0,0]=4 7670 B17R1.1871 CCc1ccc(cc1)C=CC(=O)CCCOC 1458a_100000187855_100000740836 [0,2,0,0,0,0|2,0,0]=4 7671 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCCF 11a_100015189416_100000187855 [0,2,0,0,0,0|2,0,0]=4 7672 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCCF 1626a_100015189416_100000187855 [0,2,0,0,0,0|2,0,0]=4 7673 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCCF 240690a_100015189416_100000187855 [0,2,0,0,0,0|2,0,0]=4 7674 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCCO 240690a_100000182051_100000187855 [0,2,0,0,0,0|2,0,0]=4 7675 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCOC 1626a_100000209980_100000187855 [0,2,0,0,0,0|2,0,0]=4 7676 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCOC 240690a_100000209980_100000187855 [0,2,0,0,0,0|2,0,0]=4 7677 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCSC 11a_100020590264_100000187855 [0,2,0,0,0,0|2,0,0]=4 7678 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCSC 1626a_100020590264_100000187855 [0,2,0,0,0,0|2,0,0]=4 7679 B17R1.1871 CCc1ccc(cc1)C=CC(=O)NCCSC 240690a_100020590264_100000187855 [0,2,0,0,0,0|2,0,0]=4 7680 B17R1.1871 COCCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000740836 [0,2,0,0,0,0|2,0,0]=4 7681 B17R1.1871 COCCCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000740836 [0,2,0,0,0,0|2,0,0]=4 7682 B17R1.1871 COCCCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000740836 [0,2,0,0,0,0|2,0,0]=4 7683 B17R1.1871 COCCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100000209980_100000185084 [0,2,0,0,0,0|2,0,0]=4 7684 B17R1.1871 COCCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100000209980_100000185084 [0,2,0,0,0,0|2,0,0]=4 7685 B17R1.1871 COCCNC(=O)C=Cc1ccc(cc1)OC 1626a_100000209980_100000184205 [0,2,0,0,0,0|2,0,0]=4 7686 B17R1.1871 COCCNC(=O)C=Cc1ccc(cc1)OC 527a_100000209980_100000184205 [0,2,0,0,0,0|2,0,0]=4 7687 B17R1.1871 COCCNC(=O)C=Cc1ccc(cc1)SC 1626a_100000209980_100102526083 [0,2,0,0,0,0|2,0,0]=4 7688 B17R1.1871 COCCNC(=O)C=Cc1ccc(cc1)SC 240690a_100000209980_100102526083 [0,2,0,0,0,0|2,0,0]=4 7689 B17R1.1871 COc1ccc(cc1)C=CC(=O)CCCCF 1458a_100000184205_100000729493 [0,2,0,0,0,0|2,0,0]=4 7690 B17R1.1871 COc1ccc(cc1)C=CC(=O)CCCCO 1458a_100000184205_100000210776 [0,2,0,0,0,0|2,0,0]=4 7691 B17R1.1871 COc1ccc(cc1)C=CC(=O)NCCCF 11a_100015189416_100000184205 [0,2,0,0,0,0|2,0,0]=4 7692 B17R1.1871 COc1ccc(cc1)C=CC(=O)NCCCF 1626a_100015189416_100000184205 [0,2,0,0,0,0|2,0,0]=4 7693 B17R1.1871 COc1ccc(cc1)C=CC(=O)NCCCF 527a_100015189416_100000184205 [0,2,0,0,0,0|2,0,0]=4 7694 B17R1.1871 COc1ccc(cc1)C=CC(=O)NCCCO 527a_100000182051_100000184205 [0,2,0,0,0,0|2,0,0]=4 7695 B17R1.1871 COc1ccc(cc1)C=CC(=O)NCCSC 11a_100020590264_100000184205 [0,2,0,0,0,0|2,0,0]=4 7696 B17R1.1871 COc1ccc(cc1)C=CC(=O)NCCSC 1626a_100020590264_100000184205 [0,2,0,0,0,0|2,0,0]=4 7697 B17R1.1871 COc1ccc(cc1)C=CC(=O)NCCSC 527a_100020590264_100000184205 [0,2,0,0,0,0|2,0,0]=4 7698 B17R1.1871 CSCCNC(=O)C=Cc1ccc(cc1)C#N 11a_100020590264_100000185084 [0,2,0,0,0,0|2,0,0]=4 7699 B17R1.1871 CSCCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100020590264_100000185084 [0,2,0,0,0,0|2,0,0]=4 7700 B17R1.1871 CSCCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100020590264_100000185084 [0,2,0,0,0,0|2,0,0]=4 7701 B17R1.1871 CSCCNC(=O)C=Cc1ccc(cc1)SC 11a_100020590264_100102526083 [0,2,0,0,0,0|2,0,0]=4 7702 B17R1.1871 CSCCNC(=O)C=Cc1ccc(cc1)SC 1626a_100020590264_100102526083 [0,2,0,0,0,0|2,0,0]=4 7703 B17R1.1871 CSCCNC(=O)C=Cc1ccc(cc1)SC 240690a_100020590264_100102526083 [0,2,0,0,0,0|2,0,0]=4 7704 B17R1.1871 CSc1ccc(cc1)C=CC(=O)CCCCF 1458a_100102526083_100000729493 [0,2,0,0,0,0|2,0,0]=4 7705 B17R1.1871 CSc1ccc(cc1)C=CC(=O)CCCCO 1458a_100102526083_100000210776 [0,2,0,0,0,0|2,0,0]=4 7706 B17R1.1871 CSc1ccc(cc1)C=CC(=O)NCCCF 11a_100015189416_100102526083 [0,2,0,0,0,0|2,0,0]=4 7707 B17R1.1871 CSc1ccc(cc1)C=CC(=O)NCCCF 1626a_100015189416_100102526083 [0,2,0,0,0,0|2,0,0]=4 7708 B17R1.1871 CSc1ccc(cc1)C=CC(=O)NCCCF 240690a_100015189416_100102526083 [0,2,0,0,0,0|2,0,0]=4 7709 B17R1.1871 CSc1ccc(cc1)C=CC(=O)NCCCO 240690a_100000182051_100102526083 [0,2,0,0,0,0|2,0,0]=4 7710 B17R1.1871 N#Cc1ccc(cc1)C=CC(=O)CCCCF 1458a_100000185084_100000729493 [0,2,0,0,0,0|2,0,0]=4 7711 B17R1.1871 N#Cc1ccc(cc1)C=CC(=O)CCCCO 1458a_100000185084_100000210776 [0,2,0,0,0,0|2,0,0]=4 7712 B17R1.1871 N#Cc1ccc(cc1)C=CC(=O)NCCCF 11a_100015189416_100000185084 [0,2,0,0,0,0|2,0,0]=4 7713 B17R1.1871 N#Cc1ccc(cc1)C=CC(=O)NCCCF 1626a_100015189416_100000185084 [0,2,0,0,0,0|2,0,0]=4 7714 B17R1.1871 N#Cc1ccc(cc1)C=CC(=O)NCCCF 240690a_100015189416_100000185084 [0,2,0,0,0,0|2,0,0]=4 7715 B17R1.1871 N#Cc1ccc(cc1)C=CC(=O)NCCCO 240690a_100000182051_100000185084 [0,2,0,0,0,0|2,0,0]=4 7716 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000210326 [0,2,0,0,0,0|1,0,0]=3 7717 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100011215151 [0,2,0,0,0,0|1,0,0]=3 7718 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000210326 [0,2,0,0,0,0|1,0,0]=3 7719 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100011215151 [0,2,0,0,0,0|1,0,0]=3 7720 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210326 [0,2,0,0,0,0|1,0,0]=3 7721 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210326 [0,2,0,0,0,0|1,0,0]=3 7722 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100011215151 [0,2,0,0,0,0|1,0,0]=3 7723 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100011215151 [0,2,0,0,0,0|1,0,0]=3 7724 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000210326 [0,2,0,0,0,0|1,0,0]=3 7725 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100011215151 [0,2,0,0,0,0|1,0,0]=3 7726 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100011215151 [0,2,0,0,0,0|1,0,0]=3 7727 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000210326 [0,2,0,0,0,0|1,0,0]=3 7728 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100011215151 [0,2,0,0,0,0|1,0,0]=3 7729 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000210326 [0,2,0,0,0,0|1,0,0]=3 7730 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100011215151 [0,2,0,0,0,0|1,0,0]=3 7731 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210326 [0,2,0,0,0,0|1,0,0]=3 7732 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100011215151 [0,2,0,0,0,0|1,0,0]=3 7733 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000210326 [0,2,0,0,0,0|1,0,0]=3 7734 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100011215151 [0,2,0,0,0,0|1,0,0]=3 7735 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000210326 [0,2,0,0,0,0|1,0,0]=3 7736 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100011215151 [0,2,0,0,0,0|1,0,0]=3 7737 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000210326 [0,2,0,0,0,0|1,0,0]=3 7738 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100011215151 [0,2,0,0,0,0|1,0,0]=3 7739 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000210326 [0,2,0,0,0,0|1,0,0]=3 7740 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100011215151 [0,2,0,0,0,0|1,0,0]=3 7741 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100011215151 [0,2,0,0,0,0|1,0,0]=3 7742 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100011215151 [0,2,0,0,0,0|1,0,0]=3 7743 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100011215151 [0,2,0,0,0,0|1,0,0]=3 7744 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100011215151 [0,2,0,0,0,0|1,0,0]=3 7745 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100011215151 [0,2,0,0,0,0|1,0,0]=3 7746 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100011215151 [0,2,0,0,0,0|1,0,0]=3 7747 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100011215151 [0,2,0,0,0,0|1,0,0]=3 7748 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100011215151 [0,2,0,0,0,0|1,0,0]=3 7749 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100011215151 [0,2,0,0,0,0|1,0,0]=3 7750 B17R1.3349 CCCCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100011215151 [0,2,0,0,0,0|1,0,0]=3 7751 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100000102301_100102889548 [0,2,0,0,0,0|1,0,0]=3 7752 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100000102301_100102889548 [0,2,0,0,0,0|1,0,0]=3 7753 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100000102301_100102889548 [0,2,0,0,0,0|1,0,0]=3 7754 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100000102301_100011195070 [0,2,0,0,0,0|1,0,0]=3 7755 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100000102301_100011195070 [0,2,0,0,0,0|1,0,0]=3 7756 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100000102301_100011195070 [0,2,0,0,0,0|1,0,0]=3 7757 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000102301_200103079279 [0,2,0,0,0,0|1,0,0]=3 7758 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)C)C 11a_100000102301_100011338269 [0,2,0,0,0,0|1,0,0]=3 7759 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100000102301_100011338269 [0,2,0,0,0,0|1,0,0]=3 7760 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100000102301_100011338269 [0,2,0,0,0,0|1,0,0]=3 7761 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)C)F 11a_100000102301_100016261966 [0,2,0,0,0,0|1,0,0]=3 7762 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100000102301_100016261966 [0,2,0,0,0,0|1,0,0]=3 7763 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100000102301_100016261966 [0,2,0,0,0,0|1,0,0]=3 7764 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100000102301_100000716972 [0,2,0,0,0,0|1,0,0]=3 7765 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100000102301_100000716972 [0,2,0,0,0,0|1,0,0]=3 7766 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100000102301_100000716972 [0,2,0,0,0,0|1,0,0]=3 7767 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100000102301_100102525453 [0,2,0,0,0,0|1,0,0]=3 7768 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100000102301_100102525453 [0,2,0,0,0,0|1,0,0]=3 7769 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100000102301_100102525453 [0,2,0,0,0,0|1,0,0]=3 7770 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000102301_200103117615 [0,2,0,0,0,0|1,0,0]=3 7771 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100000102301_100102601611 [0,2,0,0,0,0|1,0,0]=3 7772 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100000102301_100102601611 [0,2,0,0,0,0|1,0,0]=3 7773 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100000102301_100102601611 [0,2,0,0,0,0|1,0,0]=3 7774 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)C 11a_100000102301_100102526211 [0,2,0,0,0,0|1,0,0]=3 7775 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100000102301_100102526211 [0,2,0,0,0,0|1,0,0]=3 7776 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100000102301_100102526211 [0,2,0,0,0,0|1,0,0]=3 7777 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100000102301_100020610926 [0,2,0,0,0,0|1,0,0]=3 7778 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100000102301_100020610926 [0,2,0,0,0,0|1,0,0]=3 7779 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100000102301_100020610926 [0,2,0,0,0,0|1,0,0]=3 7780 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)F 11a_100000102301_100011195075 [0,2,0,0,0,0|1,0,0]=3 7781 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100000102301_100011195075 [0,2,0,0,0,0|1,0,0]=3 7782 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100000102301_100011195075 [0,2,0,0,0,0|1,0,0]=3 7783 B17R1.3349 CCCCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000102301_100011195073 [0,2,0,0,0,0|1,0,0]=3 7784 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000211628 [0,2,0,0,0,0|1,0,1]=4 7785 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000211628 [0,2,0,0,0,0|1,0,1]=4 7786 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000211628 [0,2,0,0,0,0|1,0,1]=4 7787 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)C 2230a_100000736455_100000211628 [0,2,0,0,0,0|1,0,1]=4 7788 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)C 34a_100000736455_100000211628 [0,2,0,0,0,0|1,0,1]=4 7789 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)C 7a_100000736455_100000211628 [0,2,0,0,0,0|1,0,1]=4 7790 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000211628 [0,2,0,0,0,0|1,0,1]=4 7791 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000211628 [0,2,0,0,0,0|1,0,1]=4 7792 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000211628 [0,2,0,0,0,0|1,0,1]=4 7793 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000211628 [0,2,0,0,0,0|1,0,1]=4 7794 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000211628 [0,2,0,0,0,0|1,0,1]=4 7795 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000211628 [0,2,0,0,0,0|1,0,1]=4 7796 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000211628 [0,2,0,0,0,0|1,0,1]=4 7797 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)Br 2230a_100000210723_100000211628 [0,2,0,0,0,0|1,0,1]=4 7798 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)Br 34a_100000210723_100000211628 [0,2,0,0,0,0|1,0,1]=4 7799 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)Br 7a_100000210723_100000211628 [0,2,0,0,0,0|1,0,1]=4 7800 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)C 2230a_100000724040_100000211628 [0,2,0,0,0,0|1,0,1]=4 7801 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)C 34a_100000724040_100000211628 [0,2,0,0,0,0|1,0,1]=4 7802 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)C 7a_100000724040_100000211628 [0,2,0,0,0,0|1,0,1]=4 7803 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000211628 [0,2,0,0,0,0|1,0,1]=4 7804 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000211628 [0,2,0,0,0,0|1,0,1]=4 7805 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000211628 [0,2,0,0,0,0|1,0,1]=4 7806 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)F 2230a_100000750164_100000211628 [0,2,0,0,0,0|1,0,1]=4 7807 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)F 34a_100000750164_100000211628 [0,2,0,0,0,0|1,0,1]=4 7808 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)F 7a_100000750164_100000211628 [0,2,0,0,0,0|1,0,1]=4 7809 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)I 34a_100000198070_100000211628 [0,2,0,0,0,0|1,0,1]=4 7810 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)I 7a_100000198070_100000211628 [0,2,0,0,0,0|1,0,1]=4 7811 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000211628 [0,2,0,0,0,0|1,0,1]=4 7812 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000211628 [0,2,0,0,0,0|1,0,1]=4 7813 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000211628 [0,2,0,0,0,0|1,0,1]=4 7814 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000211628 [0,2,0,0,0,0|1,0,1]=4 7815 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000211628 [0,2,0,0,0,0|1,0,1]=4 7816 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100000211628 [0,2,0,0,0,0|1,0,1]=4 7817 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)C 34a_100000188892_100000211628 [0,2,0,0,0,0|1,0,1]=4 7818 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)C 7a_100000188892_100000211628 [0,2,0,0,0,0|1,0,1]=4 7819 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000211628 [0,2,0,0,0,0|1,0,1]=4 7820 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000211628 [0,2,0,0,0,0|1,0,1]=4 7821 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000211628 [0,2,0,0,0,0|1,0,1]=4 7822 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000211628 [0,2,0,0,0,0|1,0,1]=4 7823 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000211628 [0,2,0,0,0,0|1,0,1]=4 7824 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000211628 [0,2,0,0,0,0|1,0,1]=4 7825 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000211628 [0,2,0,0,0,0|1,0,1]=4 7826 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000211628 [0,2,0,0,0,0|1,0,1]=4 7827 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000211628 [0,2,0,0,0,0|1,0,1]=4 7828 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000211628 [0,2,0,0,0,0|1,0,1]=4 7829 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)C 2230a_100000210958_100000211628 [0,2,0,0,0,0|1,0,1]=4 7830 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)C 34a_100000210958_100000211628 [0,2,0,0,0,0|1,0,1]=4 7831 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)C 7a_100000210958_100000211628 [0,2,0,0,0,0|1,0,1]=4 7832 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000211628 [0,2,0,0,0,0|1,0,1]=4 7833 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000211628 [0,2,0,0,0,0|1,0,1]=4 7834 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000211628 [0,2,0,0,0,0|1,0,1]=4 7835 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000211628 [0,2,0,0,0,0|1,0,1]=4 7836 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000211628 [0,2,0,0,0,0|1,0,1]=4 7837 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000211628 [0,2,0,0,0,0|1,0,1]=4 7838 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000211628 [0,2,0,0,0,0|1,0,1]=4 7839 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000211628 [0,2,0,0,0,0|1,0,1]=4 7840 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000211628 [0,2,0,0,0,0|1,0,1]=4 7841 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000211628 [0,2,0,0,0,0|1,0,1]=4 7842 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000211628 [0,2,0,0,0,0|1,0,1]=4 7843 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)I)C 34a_100000184131_100000211628 [0,2,0,0,0,0|1,0,1]=4 7844 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)I)C 7a_100000184131_100000211628 [0,2,0,0,0,0|1,0,1]=4 7845 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000211628 [0,2,0,0,0,0|1,0,1]=4 7846 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000211628 [0,2,0,0,0,0|1,0,1]=4 7847 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000211628 [0,2,0,0,0,0|1,0,1]=4 7848 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000211628 [0,2,0,0,0,0|1,0,1]=4 7849 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000211628 [0,2,0,0,0,0|1,0,1]=4 7850 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000211628 [0,2,0,0,0,0|1,0,1]=4 7851 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000211628 [0,2,0,0,0,0|1,0,1]=4 7852 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000211628 [0,2,0,0,0,0|1,0,1]=4 7853 B17R1.3349 CCCCOC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000211628 [0,2,0,0,0,0|1,0,1]=4 7854 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)C 34a_100011380479_100000211628 [0,2,0,0,0,0|1,0,1]=4 7855 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)C 7a_100011380479_100000211628 [0,2,0,0,0,0|1,0,1]=4 7856 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000211628 [0,2,0,0,0,0|1,0,1]=4 7857 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000211628 [0,2,0,0,0,0|1,0,1]=4 7858 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000211628 [0,2,0,0,0,0|1,0,1]=4 7859 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000211628 [0,2,0,0,0,0|1,0,1]=4 7860 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000211628 [0,2,0,0,0,0|1,0,1]=4 7861 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000211628 [0,2,0,0,0,0|1,0,1]=4 7862 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000211628 [0,2,0,0,0,0|1,0,1]=4 7863 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000211628 [0,2,0,0,0,0|1,0,1]=4 7864 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)Br 34a_100000690111_100000211628 [0,2,0,0,0,0|1,0,1]=4 7865 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)Br 7a_100000690111_100000211628 [0,2,0,0,0,0|1,0,1]=4 7866 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)C 34a_100000210932_100000211628 [0,2,0,0,0,0|1,0,1]=4 7867 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)C 7a_100000210932_100000211628 [0,2,0,0,0,0|1,0,1]=4 7868 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)Cl 34a_100000211092_100000211628 [0,2,0,0,0,0|1,0,1]=4 7869 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)Cl 7a_100000211092_100000211628 [0,2,0,0,0,0|1,0,1]=4 7870 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)F 34a_100000751312_100000211628 [0,2,0,0,0,0|1,0,1]=4 7871 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)F 7a_100000751312_100000211628 [0,2,0,0,0,0|1,0,1]=4 7872 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)I 34a_100000729255_100000211628 [0,2,0,0,0,0|1,0,1]=4 7873 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)I 7a_100000729255_100000211628 [0,2,0,0,0,0|1,0,1]=4 7874 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)N 34a_100000756630_100000211628 [0,2,0,0,0,0|1,0,1]=4 7875 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)C)N 7a_100000756630_100000211628 [0,2,0,0,0,0|1,0,1]=4 7876 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000211628 [0,2,0,0,0,0|1,0,1]=4 7877 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000211628 [0,2,0,0,0,0|1,0,1]=4 7878 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)C 34a_100011265682_100000211628 [0,2,0,0,0,0|1,0,1]=4 7879 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)C 7a_100011265682_100000211628 [0,2,0,0,0,0|1,0,1]=4 7880 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000211628 [0,2,0,0,0,0|1,0,1]=4 7881 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000211628 [0,2,0,0,0,0|1,0,1]=4 7882 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000211628 [0,2,0,0,0,0|1,0,1]=4 7883 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000211628 [0,2,0,0,0,0|1,0,1]=4 7884 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000211628 [0,2,0,0,0,0|1,0,1]=4 7885 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000211628 [0,2,0,0,0,0|1,0,1]=4 7886 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000211628 [0,2,0,0,0,0|1,0,1]=4 7887 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000211628 [0,2,0,0,0,0|1,0,1]=4 7888 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000211628 [0,2,0,0,0,0|1,0,1]=4 7889 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000211628 [0,2,0,0,0,0|1,0,1]=4 7890 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)C 34a_100000722560_100000211628 [0,2,0,0,0,0|1,0,1]=4 7891 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)C 7a_100000722560_100000211628 [0,2,0,0,0,0|1,0,1]=4 7892 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000211628 [0,2,0,0,0,0|1,0,1]=4 7893 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000211628 [0,2,0,0,0,0|1,0,1]=4 7894 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000211628 [0,2,0,0,0,0|1,0,1]=4 7895 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000211628 [0,2,0,0,0,0|1,0,1]=4 7896 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000211628 [0,2,0,0,0,0|1,0,1]=4 7897 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000211628 [0,2,0,0,0,0|1,0,1]=4 7898 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000211628 [0,2,0,0,0,0|1,0,1]=4 7899 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000211628 [0,2,0,0,0,0|1,0,1]=4 7900 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000211628 [0,2,0,0,0,0|1,0,1]=4 7901 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000211628 [0,2,0,0,0,0|1,0,1]=4 7902 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000211628 [0,2,0,0,0,0|1,0,1]=4 7903 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000211628 [0,2,0,0,0,0|1,0,1]=4 7904 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000211628 [0,2,0,0,0,0|1,0,1]=4 7905 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000211628 [0,2,0,0,0,0|1,0,1]=4 7906 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000211628 [0,2,0,0,0,0|1,0,1]=4 7907 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000211628 [0,2,0,0,0,0|1,0,1]=4 7908 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)C 34a_100011216113_100000211628 [0,2,0,0,0,0|1,0,1]=4 7909 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)C 7a_100011216113_100000211628 [0,2,0,0,0,0|1,0,1]=4 7910 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000211628 [0,2,0,0,0,0|1,0,1]=4 7911 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000211628 [0,2,0,0,0,0|1,0,1]=4 7912 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000211628 [0,2,0,0,0,0|1,0,1]=4 7913 B17R1.3349 CCCCOC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000211628 [0,2,0,0,0,0|1,0,1]=4 7914 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)Br 62a_100000211628_100012356285 [0,2,0,0,0,0|1,0,1]=4 7915 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000211628 [0,2,0,0,0,0|1,0,1]=4 7916 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)C 62a_100000211628_100011847877 [0,2,0,0,0,0|1,0,1]=4 7917 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)C 62a_100011847877_100000211628 [0,2,0,0,0,0|1,0,1]=4 7918 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000211628_100012353702 [0,2,0,0,0,0|1,0,1]=4 7919 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000211628 [0,2,0,0,0,0|1,0,1]=4 7920 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)F 62a_100000211628_100012047266 [0,2,0,0,0,0|1,0,1]=4 7921 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000211628 [0,2,0,0,0,0|1,0,1]=4 7922 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)N 62a_100000211628_100000750455 [0,2,0,0,0,0|1,0,1]=4 7923 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000211628 [0,2,0,0,0,0|1,0,1]=4 7924 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)O 62a_100000211628_100012361655 [0,2,0,0,0,0|1,0,1]=4 7925 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000211628 [0,2,0,0,0,0|1,0,1]=4 7926 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)Br 62a_100000211628_100009813585 [0,2,0,0,0,0|1,0,1]=4 7927 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)Br 62a_100009813585_100000211628 [0,2,0,0,0,0|1,0,1]=4 7928 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)C 62a_100000211628_100011215607 [0,2,0,0,0,0|1,0,1]=4 7929 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)C 62a_100011215607_100000211628 [0,2,0,0,0,0|1,0,1]=4 7930 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000211628 [0,2,0,0,0,0|1,0,1]=4 7931 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)Cl 62a_100000211628_100000049509 [0,2,0,0,0,0|1,0,1]=4 7932 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)F 62a_100000211628_100011218330 [0,2,0,0,0,0|1,0,1]=4 7933 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)F 62a_100011218330_100000211628 [0,2,0,0,0,0|1,0,1]=4 7934 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)N 62a_100000211628_100000211769 [0,2,0,0,0,0|1,0,1]=4 7935 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)N 62a_100000211769_100000211628 [0,2,0,0,0,0|1,0,1]=4 7936 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)C)O 62a_100000211628_100000186361 [0,2,0,0,0,0|1,0,1]=4 7937 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000211628_100012047281 [0,2,0,0,0,0|1,0,1]=4 7938 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000211628 [0,2,0,0,0,0|1,0,1]=4 7939 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)C 62a_100000211628_100011216363 [0,2,0,0,0,0|1,0,1]=4 7940 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)C 62a_100011216363_100000211628 [0,2,0,0,0,0|1,0,1]=4 7941 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000211628_100011214914 [0,2,0,0,0,0|1,0,1]=4 7942 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000211628 [0,2,0,0,0,0|1,0,1]=4 7943 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)F 62a_100000211628_100011215976 [0,2,0,0,0,0|1,0,1]=4 7944 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000211628 [0,2,0,0,0,0|1,0,1]=4 7945 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)N 62a_100000211628_100011218065 [0,2,0,0,0,0|1,0,1]=4 7946 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000211628 [0,2,0,0,0,0|1,0,1]=4 7947 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)O 62a_100000211628_100012360047 [0,2,0,0,0,0|1,0,1]=4 7948 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000211628 [0,2,0,0,0,0|1,0,1]=4 7949 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)Br 62a_100000211628_100000685389 [0,2,0,0,0,0|1,0,1]=4 7950 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000211628 [0,2,0,0,0,0|1,0,1]=4 7951 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)C 62a_100000211628_100000720648 [0,2,0,0,0,0|1,0,1]=4 7952 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)C 62a_100000720648_100000211628 [0,2,0,0,0,0|1,0,1]=4 7953 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)Cl 62a_100000211628_100011216805 [0,2,0,0,0,0|1,0,1]=4 7954 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000211628 [0,2,0,0,0,0|1,0,1]=4 7955 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)F 62a_100000211628_100000703953 [0,2,0,0,0,0|1,0,1]=4 7956 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000211628 [0,2,0,0,0,0|1,0,1]=4 7957 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)N 62a_100000211628_100011215594 [0,2,0,0,0,0|1,0,1]=4 7958 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000211628 [0,2,0,0,0,0|1,0,1]=4 7959 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000211628 [0,2,0,0,0,0|1,0,1]=4 7960 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)F)O 62a_100000211628_100000185481 [0,2,0,0,0,0|1,0,1]=4 7961 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)Br 62a_100000211628_100000750456 [0,2,0,0,0,0|1,0,1]=4 7962 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000211628 [0,2,0,0,0,0|1,0,1]=4 7963 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)C 62a_100000211628_100000761890 [0,2,0,0,0,0|1,0,1]=4 7964 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)C 62a_100000761890_100000211628 [0,2,0,0,0,0|1,0,1]=4 7965 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)Cl 62a_100000211628_200000761891 [0,2,0,0,0,0|1,0,1]=4 7966 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000211628 [0,2,0,0,0,0|1,0,1]=4 7967 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)F 62a_100000211628_100000740924 [0,2,0,0,0,0|1,0,1]=4 7968 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000211628 [0,2,0,0,0,0|1,0,1]=4 7969 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)N 62a_100000211628_100011534411 [0,2,0,0,0,0|1,0,1]=4 7970 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000211628 [0,2,0,0,0,0|1,0,1]=4 7971 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)O 62a_100000211628_100000752626 [0,2,0,0,0,0|1,0,1]=4 7972 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000211628 [0,2,0,0,0,0|1,0,1]=4 7973 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)Br 62a_100000211628_100012356990 [0,2,0,0,0,0|1,0,1]=4 7974 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000211628 [0,2,0,0,0,0|1,0,1]=4 7975 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)C 62a_100000211628_100000685420 [0,2,0,0,0,0|1,0,1]=4 7976 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000211628 [0,2,0,0,0,0|1,0,1]=4 7977 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)Cl 62a_100000211628_100011356854 [0,2,0,0,0,0|1,0,1]=4 7978 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000211628 [0,2,0,0,0,0|1,0,1]=4 7979 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)F 62a_100000211628_100000686035 [0,2,0,0,0,0|1,0,1]=4 7980 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000211628 [0,2,0,0,0,0|1,0,1]=4 7981 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)N 62a_100000211628_100000739049 [0,2,0,0,0,0|1,0,1]=4 7982 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000211628 [0,2,0,0,0,0|1,0,1]=4 7983 B17R1.3349 CCCCOC(=O)CSc1ccc(c(c1)O)O 62a_100000211628_100009813601 [0,2,0,0,0,0|1,0,1]=4 7984 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)Br)Cl 22a_100000740057_100102889548 [0,2,0,0,0,0|2,0,0]=4 7985 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)Br)F 22a_100000740057_100011195070 [0,2,0,0,0,0|2,0,0]=4 7986 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)Br)O 22a_100000740057_200103079279 [0,2,0,0,0,0|2,0,0]=4 7987 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)C)C 22a_100000740057_100011338269 [0,2,0,0,0,0|2,0,0]=4 7988 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)C)F 22a_100000740057_100016261966 [0,2,0,0,0,0|2,0,0]=4 7989 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)Cl)Cl 22a_100000740057_100000716972 [0,2,0,0,0,0|2,0,0]=4 7990 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)Cl)F 22a_100000740057_100102525453 [0,2,0,0,0,0|2,0,0]=4 7991 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)Cl)O 22a_100000740057_200103117615 [0,2,0,0,0,0|2,0,0]=4 7992 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)F)Br 22a_100000740057_100102601611 [0,2,0,0,0,0|2,0,0]=4 7993 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)F)C 22a_100000740057_100102526211 [0,2,0,0,0,0|2,0,0]=4 7994 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)F)Cl 22a_100000740057_100020610926 [0,2,0,0,0,0|2,0,0]=4 7995 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)F)F 22a_100000740057_100011195075 [0,2,0,0,0,0|2,0,0]=4 7996 B17R1.3349 CCCNNC(=O)C=Cc1ccc(c(c1)O)O 22a_100000740057_100011195073 [0,2,0,0,0,0|2,0,0]=4 7997 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100010632825 [0,2,0,0,0,0|2,0,0]=4 7998 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100010632825 [0,2,0,0,0,0|2,0,0]=4 7999 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100010632825 [0,2,0,0,0,0|2,0,0]=4 8000 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100010632825 [0,2,0,0,0,0|2,0,0]=4 8001 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100010632825 [0,2,0,0,0,0|2,0,0]=4 8002 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100010632825 [0,2,0,0,0,0|2,0,0]=4 8003 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100010632825 [0,2,0,0,0,0|2,0,0]=4 8004 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100010632825 [0,2,0,0,0,0|2,0,0]=4 8005 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100010632825 [0,2,0,0,0,0|2,0,0]=4 8006 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100010632825 [0,2,0,0,0,0|2,0,0]=4 8007 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100010632825 [0,2,0,0,0,0|2,0,0]=4 8008 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100010632825 [0,2,0,0,0,0|2,0,0]=4 8009 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100010632825 [0,2,0,0,0,0|2,0,0]=4 8010 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100010632825 [0,2,0,0,0,0|2,0,0]=4 8011 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100010632825 [0,2,0,0,0,0|2,0,0]=4 8012 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100010632825 [0,2,0,0,0,0|2,0,0]=4 8013 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100010632825 [0,2,0,0,0,0|2,0,0]=4 8014 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100010632825 [0,2,0,0,0,0|2,0,0]=4 8015 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100010632825 [0,2,0,0,0,0|2,0,0]=4 8016 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100010632825 [0,2,0,0,0,0|2,0,0]=4 8017 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100010632825 [0,2,0,0,0,0|2,0,0]=4 8018 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100010632825 [0,2,0,0,0,0|2,0,0]=4 8019 B17R1.3349 CCCOCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100010632825 [0,2,0,0,0,0|2,0,0]=4 8020 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100011343953 [0,2,0,0,0,0|2,0,0]=4 8021 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100011343953 [0,2,0,0,0,0|2,0,0]=4 8022 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100011343953 [0,2,0,0,0,0|2,0,0]=4 8023 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100011343953 [0,2,0,0,0,0|2,0,0]=4 8024 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100011343953 [0,2,0,0,0,0|2,0,0]=4 8025 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100011343953 [0,2,0,0,0,0|2,0,0]=4 8026 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100011343953 [0,2,0,0,0,0|2,0,0]=4 8027 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100011343953 [0,2,0,0,0,0|2,0,0]=4 8028 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100011343953 [0,2,0,0,0,0|2,0,0]=4 8029 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100011343953 [0,2,0,0,0,0|2,0,0]=4 8030 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100011343953 [0,2,0,0,0,0|2,0,0]=4 8031 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100011343953 [0,2,0,0,0,0|2,0,0]=4 8032 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100011343953 [0,2,0,0,0,0|2,0,0]=4 8033 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100011343953 [0,2,0,0,0,0|2,0,0]=4 8034 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100011343953 [0,2,0,0,0,0|2,0,0]=4 8035 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100011343953 [0,2,0,0,0,0|2,0,0]=4 8036 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100011343953 [0,2,0,0,0,0|2,0,0]=4 8037 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100011343953 [0,2,0,0,0,0|2,0,0]=4 8038 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100011343953 [0,2,0,0,0,0|2,0,0]=4 8039 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100011343953 [0,2,0,0,0,0|2,0,0]=4 8040 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100011343953 [0,2,0,0,0,0|2,0,0]=4 8041 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100011343953 [0,2,0,0,0,0|2,0,0]=4 8042 B17R1.3349 CCCSCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100011343953 [0,2,0,0,0,0|2,0,0]=4 8043 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100011215890 [0,2,0,0,0,0|2,0,0]=4 8044 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_200011216536 [0,2,0,0,0,0|2,0,0]=4 8045 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100011215890 [0,2,0,0,0,0|2,0,0]=4 8046 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_200011216536 [0,2,0,0,0,0|2,0,0]=4 8047 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100011215890 [0,2,0,0,0,0|2,0,0]=4 8048 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100011215890 [0,2,0,0,0,0|2,0,0]=4 8049 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_200011216536 [0,2,0,0,0,0|2,0,0]=4 8050 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_200011216536 [0,2,0,0,0,0|2,0,0]=4 8051 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100011215890 [0,2,0,0,0,0|2,0,0]=4 8052 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_200011216536 [0,2,0,0,0,0|2,0,0]=4 8053 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_200011216536 [0,2,0,0,0,0|2,0,0]=4 8054 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100011215890 [0,2,0,0,0,0|2,0,0]=4 8055 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_200011216536 [0,2,0,0,0,0|2,0,0]=4 8056 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100011215890 [0,2,0,0,0,0|2,0,0]=4 8057 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_200011216536 [0,2,0,0,0,0|2,0,0]=4 8058 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100011215890 [0,2,0,0,0,0|2,0,0]=4 8059 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_200011216536 [0,2,0,0,0,0|2,0,0]=4 8060 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100011215890 [0,2,0,0,0,0|2,0,0]=4 8061 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_200011216536 [0,2,0,0,0,0|2,0,0]=4 8062 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100011215890 [0,2,0,0,0,0|2,0,0]=4 8063 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_200011216536 [0,2,0,0,0,0|2,0,0]=4 8064 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100011215890 [0,2,0,0,0,0|2,0,0]=4 8065 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_200011216536 [0,2,0,0,0,0|2,0,0]=4 8066 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100011215890 [0,2,0,0,0,0|2,0,0]=4 8067 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_200011216536 [0,2,0,0,0,0|2,0,0]=4 8068 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_200011216536 [0,2,0,0,0,0|2,0,0]=4 8069 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_200011216536 [0,2,0,0,0,0|2,0,0]=4 8070 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_200011216536 [0,2,0,0,0,0|2,0,0]=4 8071 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_200011216536 [0,2,0,0,0,0|2,0,0]=4 8072 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_200011216536 [0,2,0,0,0,0|2,0,0]=4 8073 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_200011216536 [0,2,0,0,0,0|2,0,0]=4 8074 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_200011216536 [0,2,0,0,0,0|2,0,0]=4 8075 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_200011216536 [0,2,0,0,0,0|2,0,0]=4 8076 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_200011216536 [0,2,0,0,0,0|2,0,0]=4 8077 B17R1.3349 CCOCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_200011216536 [0,2,0,0,0,0|2,0,0]=4 8078 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000757381 [0,2,0,0,0,0|2,0,0]=4 8079 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000757381 [0,2,0,0,0,0|2,0,0]=4 8080 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000757381 [0,2,0,0,0,0|2,0,0]=4 8081 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000757381 [0,2,0,0,0,0|2,0,0]=4 8082 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000757381 [0,2,0,0,0,0|2,0,0]=4 8083 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000757381 [0,2,0,0,0,0|2,0,0]=4 8084 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000757381 [0,2,0,0,0,0|2,0,0]=4 8085 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000757381 [0,2,0,0,0,0|2,0,0]=4 8086 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000757381 [0,2,0,0,0,0|2,0,0]=4 8087 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000757381 [0,2,0,0,0,0|2,0,0]=4 8088 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000757381 [0,2,0,0,0,0|2,0,0]=4 8089 B17R1.3349 CCSCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000757381 [0,2,0,0,0,0|2,0,0]=4 8090 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000740836 [0,2,0,0,0,0|2,0,0]=4 8091 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000740836 [0,2,0,0,0,0|2,0,0]=4 8092 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000740836 [0,2,0,0,0,0|2,0,0]=4 8093 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000740836 [0,2,0,0,0,0|2,0,0]=4 8094 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000740836 [0,2,0,0,0,0|2,0,0]=4 8095 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000740836 [0,2,0,0,0,0|2,0,0]=4 8096 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000740836 [0,2,0,0,0,0|2,0,0]=4 8097 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000740836 [0,2,0,0,0,0|2,0,0]=4 8098 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000740836 [0,2,0,0,0,0|2,0,0]=4 8099 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000740836 [0,2,0,0,0,0|2,0,0]=4 8100 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000740836 [0,2,0,0,0,0|2,0,0]=4 8101 B17R1.3349 COCCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000740836 [0,2,0,0,0,0|2,0,0]=4 8102 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100000209980_100102889548 [0,2,0,0,0,0|2,0,0]=4 8103 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100000209980_100102889548 [0,2,0,0,0,0|2,0,0]=4 8104 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100000209980_100011195070 [0,2,0,0,0,0|2,0,0]=4 8105 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100000209980_100011195070 [0,2,0,0,0,0|2,0,0]=4 8106 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000209980_200103079279 [0,2,0,0,0,0|2,0,0]=4 8107 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100000209980_100011338269 [0,2,0,0,0,0|2,0,0]=4 8108 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100000209980_100011338269 [0,2,0,0,0,0|2,0,0]=4 8109 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100000209980_100016261966 [0,2,0,0,0,0|2,0,0]=4 8110 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100000209980_100016261966 [0,2,0,0,0,0|2,0,0]=4 8111 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100000209980_100000716972 [0,2,0,0,0,0|2,0,0]=4 8112 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100000209980_100000716972 [0,2,0,0,0,0|2,0,0]=4 8113 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100000209980_100102525453 [0,2,0,0,0,0|2,0,0]=4 8114 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100000209980_100102525453 [0,2,0,0,0,0|2,0,0]=4 8115 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000209980_200103117615 [0,2,0,0,0,0|2,0,0]=4 8116 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100000209980_100102601611 [0,2,0,0,0,0|2,0,0]=4 8117 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100000209980_100102601611 [0,2,0,0,0,0|2,0,0]=4 8118 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100000209980_100102526211 [0,2,0,0,0,0|2,0,0]=4 8119 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100000209980_100102526211 [0,2,0,0,0,0|2,0,0]=4 8120 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100000209980_100020610926 [0,2,0,0,0,0|2,0,0]=4 8121 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100000209980_100020610926 [0,2,0,0,0,0|2,0,0]=4 8122 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100000209980_100011195075 [0,2,0,0,0,0|2,0,0]=4 8123 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100000209980_100011195075 [0,2,0,0,0,0|2,0,0]=4 8124 B17R1.3349 COCCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000209980_100011195073 [0,2,0,0,0,0|2,0,0]=4 8125 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100011399439 [0,2,0,0,0,0|2,0,0]=4 8126 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100011399439 [0,2,0,0,0,0|2,0,0]=4 8127 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100011399439 [0,2,0,0,0,0|2,0,0]=4 8128 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100011399439 [0,2,0,0,0,0|2,0,0]=4 8129 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100011399439 [0,2,0,0,0,0|2,0,0]=4 8130 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100011399439 [0,2,0,0,0,0|2,0,0]=4 8131 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100011399439 [0,2,0,0,0,0|2,0,0]=4 8132 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100011399439 [0,2,0,0,0,0|2,0,0]=4 8133 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100011399439 [0,2,0,0,0,0|2,0,0]=4 8134 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100011399439 [0,2,0,0,0,0|2,0,0]=4 8135 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100011399439 [0,2,0,0,0,0|2,0,0]=4 8136 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100011399439 [0,2,0,0,0,0|2,0,0]=4 8137 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100011399439 [0,2,0,0,0,0|2,0,0]=4 8138 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100011399439 [0,2,0,0,0,0|2,0,0]=4 8139 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100011399439 [0,2,0,0,0,0|2,0,0]=4 8140 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100011399439 [0,2,0,0,0,0|2,0,0]=4 8141 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100011399439 [0,2,0,0,0,0|2,0,0]=4 8142 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100011399439 [0,2,0,0,0,0|2,0,0]=4 8143 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100011399439 [0,2,0,0,0,0|2,0,0]=4 8144 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100011399439 [0,2,0,0,0,0|2,0,0]=4 8145 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100011399439 [0,2,0,0,0,0|2,0,0]=4 8146 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100011399439 [0,2,0,0,0,0|2,0,0]=4 8147 B17R1.3349 CSCCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100011399439 [0,2,0,0,0,0|2,0,0]=4 8148 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100020590264_100102889548 [0,2,0,0,0,0|2,0,0]=4 8149 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100020590264_100102889548 [0,2,0,0,0,0|2,0,0]=4 8150 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100020590264_100102889548 [0,2,0,0,0,0|2,0,0]=4 8151 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100020590264_100011195070 [0,2,0,0,0,0|2,0,0]=4 8152 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100020590264_100011195070 [0,2,0,0,0,0|2,0,0]=4 8153 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100020590264_100011195070 [0,2,0,0,0,0|2,0,0]=4 8154 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100020590264_200103079279 [0,2,0,0,0,0|2,0,0]=4 8155 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)C)C 11a_100020590264_100011338269 [0,2,0,0,0,0|2,0,0]=4 8156 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100020590264_100011338269 [0,2,0,0,0,0|2,0,0]=4 8157 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100020590264_100011338269 [0,2,0,0,0,0|2,0,0]=4 8158 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)C)F 11a_100020590264_100016261966 [0,2,0,0,0,0|2,0,0]=4 8159 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100020590264_100016261966 [0,2,0,0,0,0|2,0,0]=4 8160 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100020590264_100016261966 [0,2,0,0,0,0|2,0,0]=4 8161 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100020590264_100000716972 [0,2,0,0,0,0|2,0,0]=4 8162 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100020590264_100000716972 [0,2,0,0,0,0|2,0,0]=4 8163 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100020590264_100000716972 [0,2,0,0,0,0|2,0,0]=4 8164 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100020590264_100102525453 [0,2,0,0,0,0|2,0,0]=4 8165 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100020590264_100102525453 [0,2,0,0,0,0|2,0,0]=4 8166 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100020590264_100102525453 [0,2,0,0,0,0|2,0,0]=4 8167 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100020590264_200103117615 [0,2,0,0,0,0|2,0,0]=4 8168 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100020590264_100102601611 [0,2,0,0,0,0|2,0,0]=4 8169 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100020590264_100102601611 [0,2,0,0,0,0|2,0,0]=4 8170 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100020590264_100102601611 [0,2,0,0,0,0|2,0,0]=4 8171 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)C 11a_100020590264_100102526211 [0,2,0,0,0,0|2,0,0]=4 8172 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100020590264_100102526211 [0,2,0,0,0,0|2,0,0]=4 8173 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100020590264_100102526211 [0,2,0,0,0,0|2,0,0]=4 8174 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100020590264_100020610926 [0,2,0,0,0,0|2,0,0]=4 8175 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100020590264_100020610926 [0,2,0,0,0,0|2,0,0]=4 8176 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100020590264_100020610926 [0,2,0,0,0,0|2,0,0]=4 8177 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)F 11a_100020590264_100011195075 [0,2,0,0,0,0|2,0,0]=4 8178 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100020590264_100011195075 [0,2,0,0,0,0|2,0,0]=4 8179 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100020590264_100011195075 [0,2,0,0,0,0|2,0,0]=4 8180 B17R1.3349 CSCCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100020590264_100011195073 [0,2,0,0,0,0|2,0,0]=4 8181 B17R1.3349 Cc1cc(ccc1Cl)C=CC(=O)CCCCBr 6a_100000698814_100009817362 [0,2,0,0,0,0|2,0,0]=4 8182 B17R1.3349 Cc1cc(ccc1Cl)C=CC(=O)CCCCCl 6a_100000698814_100000735457 [0,2,0,0,0,0|2,0,0]=4 8183 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)CCCCBr 6a_100000748208_100009817362 [0,2,0,0,0,0|2,0,0]=4 8184 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)CCCCCl 6a_100000748208_100000735457 [0,2,0,0,0,0|2,0,0]=4 8185 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)CCCCF 1458a_100016261966_100000729493 [0,2,0,0,0,0|2,0,0]=4 8186 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)CCCCO 1458a_100016261966_100000210776 [0,2,0,0,0,0|2,0,0]=4 8187 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)NCCCF 11a_100015189416_100016261966 [0,2,0,0,0,0|2,0,0]=4 8188 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)NCCCF 1626a_100015189416_100016261966 [0,2,0,0,0,0|2,0,0]=4 8189 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)NCCCF 240690a_100015189416_100016261966 [0,2,0,0,0,0|2,0,0]=4 8190 B17R1.3349 Cc1cc(ccc1F)C=CC(=O)NCCCO 240690a_100000182051_100016261966 [0,2,0,0,0,0|2,0,0]=4 8191 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)CCCCBr 6a_100000229942_100009817362 [0,2,0,0,0,0|2,0,0]=4 8192 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)CCCCCl 6a_100000229942_100000735457 [0,2,0,0,0,0|2,0,0]=4 8193 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)CCCCF 1458a_100011338269_100000729493 [0,2,0,0,0,0|2,0,0]=4 8194 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)CCCCO 1458a_100011338269_100000210776 [0,2,0,0,0,0|2,0,0]=4 8195 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)NCCCF 11a_100015189416_100011338269 [0,2,0,0,0,0|2,0,0]=4 8196 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)NCCCF 1626a_100015189416_100011338269 [0,2,0,0,0,0|2,0,0]=4 8197 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)NCCCF 240690a_100015189416_100011338269 [0,2,0,0,0,0|2,0,0]=4 8198 B17R1.3349 Cc1ccc(cc1C)C=CC(=O)NCCCO 240690a_100000182051_100011338269 [0,2,0,0,0,0|2,0,0]=4 8199 B17R1.3349 Cc1ccc(cc1Cl)C=CC(=O)CCCCBr 6a_100000760539_100009817362 [0,2,0,0,0,0|2,0,0]=4 8200 B17R1.3349 Cc1ccc(cc1Cl)C=CC(=O)CCCCCl 6a_100000760539_100000735457 [0,2,0,0,0,0|2,0,0]=4 8201 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)CCCCBr 6a_100000753222_100009817362 [0,2,0,0,0,0|2,0,0]=4 8202 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)CCCCCl 6a_100000753222_100000735457 [0,2,0,0,0,0|2,0,0]=4 8203 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)CCCCF 1458a_100102526211_100000729493 [0,2,0,0,0,0|2,0,0]=4 8204 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)CCCCO 1458a_100102526211_100000210776 [0,2,0,0,0,0|2,0,0]=4 8205 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)NCCCF 11a_100015189416_100102526211 [0,2,0,0,0,0|2,0,0]=4 8206 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)NCCCF 1626a_100015189416_100102526211 [0,2,0,0,0,0|2,0,0]=4 8207 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)NCCCF 240690a_100015189416_100102526211 [0,2,0,0,0,0|2,0,0]=4 8208 B17R1.3349 Cc1ccc(cc1F)C=CC(=O)NCCCO 240690a_100000182051_100102526211 [0,2,0,0,0,0|2,0,0]=4 8209 B17R1.3349 Cc1ccc(cc1I)C=CC(=O)CCCCBr 6a_100010197721_100009817362 [0,2,0,0,0,0|2,0,0]=4 8210 B17R1.3349 Cc1ccc(cc1I)C=CC(=O)CCCCCl 6a_100010197721_100000735457 [0,2,0,0,0,0|2,0,0]=4 8211 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCCBr 6a_100000693810_100009817362 [0,2,0,0,0,0|2,0,0]=4 8212 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCCCl 6a_100000693810_100000735457 [0,2,0,0,0,0|2,0,0]=4 8213 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCCF 1458a_100102889548_100000729493 [0,2,0,0,0,0|2,0,0]=4 8214 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCCO 1458a_100102889548_100000210776 [0,2,0,0,0,0|2,0,0]=4 8215 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCCF 11a_100015189416_100102889548 [0,2,0,0,0,0|2,0,0]=4 8216 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCCF 1626a_100015189416_100102889548 [0,2,0,0,0,0|2,0,0]=4 8217 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCCF 240690a_100015189416_100102889548 [0,2,0,0,0,0|2,0,0]=4 8218 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCCO 240690a_100000182051_100102889548 [0,2,0,0,0,0|2,0,0]=4 8219 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)CCCCBr 6a_100000211747_100009817362 [0,2,0,0,0,0|2,0,0]=4 8220 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)CCCCCl 6a_100000211747_100000735457 [0,2,0,0,0,0|2,0,0]=4 8221 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)CCCCF 1458a_100011195070_100000729493 [0,2,0,0,0,0|2,0,0]=4 8222 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)CCCCO 1458a_100011195070_100000210776 [0,2,0,0,0,0|2,0,0]=4 8223 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)NCCCF 11a_100015189416_100011195070 [0,2,0,0,0,0|2,0,0]=4 8224 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)NCCCF 1626a_100015189416_100011195070 [0,2,0,0,0,0|2,0,0]=4 8225 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)NCCCF 240690a_100015189416_100011195070 [0,2,0,0,0,0|2,0,0]=4 8226 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)F)NCCCO 240690a_100000182051_100011195070 [0,2,0,0,0,0|2,0,0]=4 8227 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)O)CCCCF 1458a_200103079279_100000729493 [0,2,0,0,0,0|2,0,0]=4 8228 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)O)CCCCO 1458a_200103079279_100000210776 [0,2,0,0,0,0|2,0,0]=4 8229 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)O)NCCCF 240690a_100015189416_200103079279 [0,2,0,0,0,0|2,0,0]=4 8230 B17R1.3349 O=C(C=Cc1ccc(c(c1)Br)O)NCCCO 240690a_100000182051_200103079279 [0,2,0,0,0,0|2,0,0]=4 8231 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCCBr 6a_100000188533_100009817362 [0,2,0,0,0,0|2,0,0]=4 8232 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCCCl 6a_100000188533_100000735457 [0,2,0,0,0,0|2,0,0]=4 8233 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCCF 1458a_100000716972_100000729493 [0,2,0,0,0,0|2,0,0]=4 8234 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCCO 1458a_100000716972_100000210776 [0,2,0,0,0,0|2,0,0]=4 8235 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCCF 11a_100015189416_100000716972 [0,2,0,0,0,0|2,0,0]=4 8236 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCCF 1626a_100015189416_100000716972 [0,2,0,0,0,0|2,0,0]=4 8237 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCCF 240690a_100015189416_100000716972 [0,2,0,0,0,0|2,0,0]=4 8238 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCCO 240690a_100000182051_100000716972 [0,2,0,0,0,0|2,0,0]=4 8239 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)CCCCBr 6a_100000742290_100009817362 [0,2,0,0,0,0|2,0,0]=4 8240 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)CCCCCl 6a_100000742290_100000735457 [0,2,0,0,0,0|2,0,0]=4 8241 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)CCCCF 1458a_100102525453_100000729493 [0,2,0,0,0,0|2,0,0]=4 8242 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)CCCCO 1458a_100102525453_100000210776 [0,2,0,0,0,0|2,0,0]=4 8243 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)NCCCF 11a_100015189416_100102525453 [0,2,0,0,0,0|2,0,0]=4 8244 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)NCCCF 1626a_100015189416_100102525453 [0,2,0,0,0,0|2,0,0]=4 8245 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)NCCCF 240690a_100015189416_100102525453 [0,2,0,0,0,0|2,0,0]=4 8246 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)F)NCCCO 240690a_100000182051_100102525453 [0,2,0,0,0,0|2,0,0]=4 8247 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)CCCCBr 6a_100000186751_100009817362 [0,2,0,0,0,0|2,0,0]=4 8248 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)CCCCCl 6a_100000186751_100000735457 [0,2,0,0,0,0|2,0,0]=4 8249 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)CCCCF 1458a_200103117615_100000729493 [0,2,0,0,0,0|2,0,0]=4 8250 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)CCCCO 1458a_200103117615_100000210776 [0,2,0,0,0,0|2,0,0]=4 8251 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)NCCCF 240690a_100015189416_200103117615 [0,2,0,0,0,0|2,0,0]=4 8252 B17R1.3349 O=C(C=Cc1ccc(c(c1)Cl)O)NCCCO 240690a_100000182051_200103117615 [0,2,0,0,0,0|2,0,0]=4 8253 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)CCCCBr 6a_100000686674_100009817362 [0,2,0,0,0,0|2,0,0]=4 8254 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)CCCCCl 6a_100000686674_100000735457 [0,2,0,0,0,0|2,0,0]=4 8255 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)CCCCF 1458a_100102601611_100000729493 [0,2,0,0,0,0|2,0,0]=4 8256 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)CCCCO 1458a_100102601611_100000210776 [0,2,0,0,0,0|2,0,0]=4 8257 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)NCCCF 11a_100015189416_100102601611 [0,2,0,0,0,0|2,0,0]=4 8258 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)NCCCF 1626a_100015189416_100102601611 [0,2,0,0,0,0|2,0,0]=4 8259 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)NCCCF 240690a_100015189416_100102601611 [0,2,0,0,0,0|2,0,0]=4 8260 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Br)NCCCO 240690a_100000182051_100102601611 [0,2,0,0,0,0|2,0,0]=4 8261 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)CCCCBr 6a_100000745630_100009817362 [0,2,0,0,0,0|2,0,0]=4 8262 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)CCCCCl 6a_100000745630_100000735457 [0,2,0,0,0,0|2,0,0]=4 8263 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)CCCCF 1458a_100020610926_100000729493 [0,2,0,0,0,0|2,0,0]=4 8264 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)CCCCO 1458a_100020610926_100000210776 [0,2,0,0,0,0|2,0,0]=4 8265 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)NCCCF 11a_100015189416_100020610926 [0,2,0,0,0,0|2,0,0]=4 8266 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)NCCCF 1626a_100015189416_100020610926 [0,2,0,0,0,0|2,0,0]=4 8267 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)NCCCF 240690a_100015189416_100020610926 [0,2,0,0,0,0|2,0,0]=4 8268 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)Cl)NCCCO 240690a_100000182051_100020610926 [0,2,0,0,0,0|2,0,0]=4 8269 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)CCCCBr 6a_100000211062_100009817362 [0,2,0,0,0,0|2,0,0]=4 8270 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)CCCCCl 6a_100000211062_100000735457 [0,2,0,0,0,0|2,0,0]=4 8271 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)CCCCF 1458a_100011195075_100000729493 [0,2,0,0,0,0|2,0,0]=4 8272 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)CCCCO 1458a_100011195075_100000210776 [0,2,0,0,0,0|2,0,0]=4 8273 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)NCCCF 11a_100015189416_100011195075 [0,2,0,0,0,0|2,0,0]=4 8274 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)NCCCF 1626a_100015189416_100011195075 [0,2,0,0,0,0|2,0,0]=4 8275 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)NCCCF 240690a_100015189416_100011195075 [0,2,0,0,0,0|2,0,0]=4 8276 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)F)NCCCO 240690a_100000182051_100011195075 [0,2,0,0,0,0|2,0,0]=4 8277 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)I)CCCCBr 6a_100000050832_100009817362 [0,2,0,0,0,0|2,0,0]=4 8278 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)I)CCCCCl 6a_100000050832_100000735457 [0,2,0,0,0,0|2,0,0]=4 8279 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)O)CCCCBr 6a_100000742332_100009817362 [0,2,0,0,0,0|2,0,0]=4 8280 B17R1.3349 O=C(C=Cc1ccc(c(c1)F)O)CCCCCl 6a_100000742332_100000735457 [0,2,0,0,0,0|2,0,0]=4 8281 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)Br)CCCCBr 6a_100010146563_100009817362 [0,2,0,0,0,0|2,0,0]=4 8282 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)Br)CCCCCl 6a_100010146563_100000735457 [0,2,0,0,0,0|2,0,0]=4 8283 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)Cl)CCCCBr 6a_100010209939_100009817362 [0,2,0,0,0,0|2,0,0]=4 8284 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)Cl)CCCCCl 6a_100010209939_100000735457 [0,2,0,0,0,0|2,0,0]=4 8285 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)F)CCCCBr 6a_100010188209_100009817362 [0,2,0,0,0,0|2,0,0]=4 8286 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)F)CCCCCl 6a_100010188209_100000735457 [0,2,0,0,0,0|2,0,0]=4 8287 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)O)CCCCBr 6a_100000186752_100009817362 [0,2,0,0,0,0|2,0,0]=4 8288 B17R1.3349 O=C(C=Cc1ccc(c(c1)I)O)CCCCCl 6a_100000186752_100000735457 [0,2,0,0,0,0|2,0,0]=4 8289 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)Cl)CCCCBr 6a_100009876013_100009817362 [0,2,0,0,0,0|2,0,0]=4 8290 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)Cl)CCCCCl 6a_100009876013_100000735457 [0,2,0,0,0,0|2,0,0]=4 8291 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)F)CCCCBr 6a_100000102368_100009817362 [0,2,0,0,0,0|2,0,0]=4 8292 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)F)CCCCCl 6a_100000102368_100000735457 [0,2,0,0,0,0|2,0,0]=4 8293 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)I)CCCCBr 6a_100000041418_100009817362 [0,2,0,0,0,0|2,0,0]=4 8294 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)I)CCCCCl 6a_100000041418_100000735457 [0,2,0,0,0,0|2,0,0]=4 8295 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)O)NCCCF 240690a_100015189416_100011195073 [0,2,0,0,0,0|2,0,0]=4 8296 B17R1.3349 O=C(C=Cc1ccc(c(c1)O)O)NCCCO 240690a_100000182051_100011195073 [0,2,0,0,0,0|2,0,0]=4 8297 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000210326 [0,2,0,0,0,0|1,0,0]=3 8298 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000210326 [0,2,0,0,0,0|1,0,0]=3 8299 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000210326 [0,2,0,0,0,0|1,0,0]=3 8300 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000210326 [0,2,0,0,0,0|1,0,0]=3 8301 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000210326 [0,2,0,0,0,0|1,0,0]=3 8302 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100011215151 [0,2,0,0,0,0|1,0,0]=3 8303 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100011215151 [0,2,0,0,0,0|1,0,0]=3 8304 B17R1.34 CCCCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100011215151 [0,2,0,0,0,0|1,0,0]=3 8305 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1C)F 11a_100000102301_100102526135 [0,2,0,0,0,0|1,0,0]=3 8306 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1C)F 1626a_100000102301_100102526135 [0,2,0,0,0,0|1,0,0]=3 8307 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1C)F 240690a_100000102301_100102526135 [0,2,0,0,0,0|1,0,0]=3 8308 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100000102301_100000184505 [0,2,0,0,0,0|1,0,0]=3 8309 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100000102301_100000184505 [0,2,0,0,0,0|1,0,0]=3 8310 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100000102301_100000184505 [0,2,0,0,0,0|1,0,0]=3 8311 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)Br 11a_100000102301_100012351547 [0,2,0,0,0,0|1,0,0]=3 8312 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)Br 1626a_100000102301_100012351547 [0,2,0,0,0,0|1,0,0]=3 8313 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)Br 240690a_100000102301_100012351547 [0,2,0,0,0,0|1,0,0]=3 8314 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)Cl 11a_100000102301_100011217667 [0,2,0,0,0,0|1,0,0]=3 8315 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100000102301_100011217667 [0,2,0,0,0,0|1,0,0]=3 8316 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100000102301_100011217667 [0,2,0,0,0,0|1,0,0]=3 8317 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)F 11a_100000102301_100102526107 [0,2,0,0,0,0|1,0,0]=3 8318 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)F 1626a_100000102301_100102526107 [0,2,0,0,0,0|1,0,0]=3 8319 B17R1.34 CCCCNC(=O)C=Cc1cccc(c1F)F 240690a_100000102301_100102526107 [0,2,0,0,0,0|1,0,0]=3 8320 B17R1.34 CCCCOC(=O)CNc1cccc(c1Br)C 34a_100000684715_100000211628 [0,2,0,0,0,0|1,0,1]=4 8321 B17R1.34 CCCCOC(=O)CNc1cccc(c1Br)Cl 34a_100000687072_100000211628 [0,2,0,0,0,0|1,0,1]=4 8322 B17R1.34 CCCCOC(=O)CNc1cccc(c1Br)F 34a_100011934729_100000211628 [0,2,0,0,0,0|1,0,1]=4 8323 B17R1.34 CCCCOC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000211628 [0,2,0,0,0,0|1,0,1]=4 8324 B17R1.34 CCCCOC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000211628 [0,2,0,0,0,0|1,0,1]=4 8325 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)Br 34a_100000750434_100000211628 [0,2,0,0,0,0|1,0,1]=4 8326 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)C 2230a_100000210026_100000211628 [0,2,0,0,0,0|1,0,1]=4 8327 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)C 34a_100000210026_100000211628 [0,2,0,0,0,0|1,0,1]=4 8328 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)C 7a_100000210026_100000211628 [0,2,0,0,0,0|1,0,1]=4 8329 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)Cl 2230a_100000210441_100000211628 [0,2,0,0,0,0|1,0,1]=4 8330 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)Cl 34a_100000210441_100000211628 [0,2,0,0,0,0|1,0,1]=4 8331 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)Cl 7a_100000210441_100000211628 [0,2,0,0,0,0|1,0,1]=4 8332 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)F 34a_100000745574_100000211628 [0,2,0,0,0,0|1,0,1]=4 8333 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)F 7a_100000745574_100000211628 [0,2,0,0,0,0|1,0,1]=4 8334 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)I 34a_100000761887_100000211628 [0,2,0,0,0,0|1,0,1]=4 8335 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)O 34a_100011216573_100000211628 [0,2,0,0,0,0|1,0,1]=4 8336 B17R1.34 CCCCOC(=O)CNc1cccc(c1C)O 7a_100011216573_100000211628 [0,2,0,0,0,0|1,0,1]=4 8337 B17R1.34 CCCCOC(=O)CNc1cccc(c1Cl)Br 34a_100000687075_100000211628 [0,2,0,0,0,0|1,0,1]=4 8338 B17R1.34 CCCCOC(=O)CNc1cccc(c1Cl)C 34a_100000765562_100000211628 [0,2,0,0,0,0|1,0,1]=4 8339 B17R1.34 CCCCOC(=O)CNc1cccc(c1Cl)C 7a_100000765562_100000211628 [0,2,0,0,0,0|1,0,1]=4 8340 B17R1.34 CCCCOC(=O)CNc1cccc(c1Cl)Cl 34a_100000185733_100000211628 [0,2,0,0,0,0|1,0,1]=4 8341 B17R1.34 CCCCOC(=O)CNc1cccc(c1Cl)F 34a_100000692321_100000211628 [0,2,0,0,0,0|1,0,1]=4 8342 B17R1.34 CCCCOC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000211628 [0,2,0,0,0,0|1,0,1]=4 8343 B17R1.34 CCCCOC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000211628 [0,2,0,0,0,0|1,0,1]=4 8344 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)Br 2230a_100011935091_100000211628 [0,2,0,0,0,0|1,0,1]=4 8345 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)Br 34a_100011935091_100000211628 [0,2,0,0,0,0|1,0,1]=4 8346 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)C 2230a_100000697159_100000211628 [0,2,0,0,0,0|1,0,1]=4 8347 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)C 34a_100000697159_100000211628 [0,2,0,0,0,0|1,0,1]=4 8348 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)C 7a_100000697159_100000211628 [0,2,0,0,0,0|1,0,1]=4 8349 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)Cl 2230a_100000199060_100000211628 [0,2,0,0,0,0|1,0,1]=4 8350 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)Cl 34a_100000199060_100000211628 [0,2,0,0,0,0|1,0,1]=4 8351 B17R1.34 CCCCOC(=O)CNc1cccc(c1F)F 34a_100000743855_100000211628 [0,2,0,0,0,0|1,0,1]=4 8352 B17R1.34 CCCCOC(=O)CNc1cccc(c1I)Br 34a_100020590159_100000211628 [0,2,0,0,0,0|1,0,1]=4 8353 B17R1.34 CCCCOC(=O)CNc1cccc(c1I)C 34a_100000761888_100000211628 [0,2,0,0,0,0|1,0,1]=4 8354 B17R1.34 CCCCOC(=O)CNc1cccc(c1I)Cl 34a_100000049713_100000211628 [0,2,0,0,0,0|1,0,1]=4 8355 B17R1.34 CCCCOC(=O)CNc1cccc(c1I)F 34a_100000690935_100000211628 [0,2,0,0,0,0|1,0,1]=4 8356 B17R1.34 CCCCOC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000211628 [0,2,0,0,0,0|1,0,1]=4 8357 B17R1.34 CCCCOC(=O)CNc1cccc(c1O)C 34a_100000756359_100000211628 [0,2,0,0,0,0|1,0,1]=4 8358 B17R1.34 CCCCOC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000211628 [0,2,0,0,0,0|1,0,1]=4 8359 B17R1.34 CCCCOC(=O)CNc1cccc(c1O)F 34a_100011934987_100000211628 [0,2,0,0,0,0|1,0,1]=4 8360 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000211628 [0,2,0,0,0,0|1,0,1]=4 8361 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000211628 [0,2,0,0,0,0|1,0,1]=4 8362 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)C 34a_100000686692_100000211628 [0,2,0,0,0,0|1,0,1]=4 8363 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)C 7a_100000686692_100000211628 [0,2,0,0,0,0|1,0,1]=4 8364 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000211628 [0,2,0,0,0,0|1,0,1]=4 8365 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000211628 [0,2,0,0,0,0|1,0,1]=4 8366 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)F 34a_100009820682_100000211628 [0,2,0,0,0,0|1,0,1]=4 8367 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)F 7a_100009820682_100000211628 [0,2,0,0,0,0|1,0,1]=4 8368 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)I 34a_100010187914_100000211628 [0,2,0,0,0,0|1,0,1]=4 8369 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)I 7a_100010187914_100000211628 [0,2,0,0,0,0|1,0,1]=4 8370 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)N 34a_100012183704_100000211628 [0,2,0,0,0,0|1,0,1]=4 8371 B17R1.34 CCCCOC(=O)COc1cccc(c1Br)N 7a_100012183704_100000211628 [0,2,0,0,0,0|1,0,1]=4 8372 B17R1.34 CCCCOC(=O)COc1cccc(c1C)Br 34a_100012002258_100000211628 [0,2,0,0,0,0|1,0,1]=4 8373 B17R1.34 CCCCOC(=O)COc1cccc(c1C)Br 7a_100012002258_100000211628 [0,2,0,0,0,0|1,0,1]=4 8374 B17R1.34 CCCCOC(=O)COc1cccc(c1C)C 34a_100000185855_100000211628 [0,2,0,0,0,0|1,0,1]=4 8375 B17R1.34 CCCCOC(=O)COc1cccc(c1C)C 7a_100000185855_100000211628 [0,2,0,0,0,0|1,0,1]=4 8376 B17R1.34 CCCCOC(=O)COc1cccc(c1C)Cl 34a_100011265684_100000211628 [0,2,0,0,0,0|1,0,1]=4 8377 B17R1.34 CCCCOC(=O)COc1cccc(c1C)Cl 7a_100011265684_100000211628 [0,2,0,0,0,0|1,0,1]=4 8378 B17R1.34 CCCCOC(=O)COc1cccc(c1C)F 34a_100011217231_100000211628 [0,2,0,0,0,0|1,0,1]=4 8379 B17R1.34 CCCCOC(=O)COc1cccc(c1C)F 7a_100011217231_100000211628 [0,2,0,0,0,0|1,0,1]=4 8380 B17R1.34 CCCCOC(=O)COc1cccc(c1C)N 34a_100011216573_100000211628 [0,2,0,0,0,0|1,0,1]=4 8381 B17R1.34 CCCCOC(=O)COc1cccc(c1C)N 7a_100011216573_100000211628 [0,2,0,0,0,0|1,0,1]=4 8382 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000211628 [0,2,0,0,0,0|1,0,1]=4 8383 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000211628 [0,2,0,0,0,0|1,0,1]=4 8384 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)C 34a_100000695629_100000211628 [0,2,0,0,0,0|1,0,1]=4 8385 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)C 7a_100000695629_100000211628 [0,2,0,0,0,0|1,0,1]=4 8386 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000211628 [0,2,0,0,0,0|1,0,1]=4 8387 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000211628 [0,2,0,0,0,0|1,0,1]=4 8388 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000211628 [0,2,0,0,0,0|1,0,1]=4 8389 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000211628 [0,2,0,0,0,0|1,0,1]=4 8390 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000211628 [0,2,0,0,0,0|1,0,1]=4 8391 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000211628 [0,2,0,0,0,0|1,0,1]=4 8392 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000211628 [0,2,0,0,0,0|1,0,1]=4 8393 B17R1.34 CCCCOC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000211628 [0,2,0,0,0,0|1,0,1]=4 8394 B17R1.34 CCCCOC(=O)COc1cccc(c1F)Br 34a_100009817021_100000211628 [0,2,0,0,0,0|1,0,1]=4 8395 B17R1.34 CCCCOC(=O)COc1cccc(c1F)Br 7a_100009817021_100000211628 [0,2,0,0,0,0|1,0,1]=4 8396 B17R1.34 CCCCOC(=O)COc1cccc(c1F)C 34a_100000751311_100000211628 [0,2,0,0,0,0|1,0,1]=4 8397 B17R1.34 CCCCOC(=O)COc1cccc(c1F)C 7a_100000751311_100000211628 [0,2,0,0,0,0|1,0,1]=4 8398 B17R1.34 CCCCOC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000211628 [0,2,0,0,0,0|1,0,1]=4 8399 B17R1.34 CCCCOC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000211628 [0,2,0,0,0,0|1,0,1]=4 8400 B17R1.34 CCCCOC(=O)COc1cccc(c1F)F 34a_100000751161_100000211628 [0,2,0,0,0,0|1,0,1]=4 8401 B17R1.34 CCCCOC(=O)COc1cccc(c1F)F 7a_100000751161_100000211628 [0,2,0,0,0,0|1,0,1]=4 8402 B17R1.34 CCCCOC(=O)COc1cccc(c1I)Br 34a_100010187912_100000211628 [0,2,0,0,0,0|1,0,1]=4 8403 B17R1.34 CCCCOC(=O)COc1cccc(c1I)Br 7a_100010187912_100000211628 [0,2,0,0,0,0|1,0,1]=4 8404 B17R1.34 CCCCOC(=O)COc1cccc(c1I)C 34a_100010083724_100000211628 [0,2,0,0,0,0|1,0,1]=4 8405 B17R1.34 CCCCOC(=O)COc1cccc(c1I)C 7a_100010083724_100000211628 [0,2,0,0,0,0|1,0,1]=4 8406 B17R1.34 CCCCOC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000211628 [0,2,0,0,0,0|1,0,1]=4 8407 B17R1.34 CCCCOC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000211628 [0,2,0,0,0,0|1,0,1]=4 8408 B17R1.34 CCCCOC(=O)COc1cccc(c1I)F 34a_100000690913_100000211628 [0,2,0,0,0,0|1,0,1]=4 8409 B17R1.34 CCCCOC(=O)COc1cccc(c1I)F 7a_100000690913_100000211628 [0,2,0,0,0,0|1,0,1]=4 8410 B17R1.34 CCCCOC(=O)COc1cccc(c1N)Br 34a_100011934926_100000211628 [0,2,0,0,0,0|1,0,1]=4 8411 B17R1.34 CCCCOC(=O)COc1cccc(c1N)Br 7a_100011934926_100000211628 [0,2,0,0,0,0|1,0,1]=4 8412 B17R1.34 CCCCOC(=O)COc1cccc(c1N)C 34a_100000743429_100000211628 [0,2,0,0,0,0|1,0,1]=4 8413 B17R1.34 CCCCOC(=O)COc1cccc(c1N)C 7a_100000743429_100000211628 [0,2,0,0,0,0|1,0,1]=4 8414 B17R1.34 CCCCOC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000211628 [0,2,0,0,0,0|1,0,1]=4 8415 B17R1.34 CCCCOC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000211628 [0,2,0,0,0,0|1,0,1]=4 8416 B17R1.34 CCCCOC(=O)COc1cccc(c1N)F 34a_100020591140_100000211628 [0,2,0,0,0,0|1,0,1]=4 8417 B17R1.34 CCCCOC(=O)COc1cccc(c1N)F 7a_100020591140_100000211628 [0,2,0,0,0,0|1,0,1]=4 8418 B17R1.34 CCCCOC(=O)COc1cccc(c1N)I 34a_200000049512_100000211628 [0,2,0,0,0,0|1,0,1]=4 8419 B17R1.34 CCCCOC(=O)COc1cccc(c1N)I 7a_200000049512_100000211628 [0,2,0,0,0,0|1,0,1]=4 8420 B17R1.34 CCCCOC(=O)COc1cccc(c1N)N 34a_100000033209_100000211628 [0,2,0,0,0,0|1,0,1]=4 8421 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)Br 62a_100000211628_100010175083 [0,2,0,0,0,0|1,0,1]=4 8422 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)Br 62a_100010175083_100000211628 [0,2,0,0,0,0|1,0,1]=4 8423 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)C 62a_100000211628_100012362457 [0,2,0,0,0,0|1,0,1]=4 8424 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)C 62a_100012362457_100000211628 [0,2,0,0,0,0|1,0,1]=4 8425 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)Cl 62a_100000211628_100014021842 [0,2,0,0,0,0|1,0,1]=4 8426 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)Cl 62a_100014021842_100000211628 [0,2,0,0,0,0|1,0,1]=4 8427 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)F 62a_100000211628_100010202630 [0,2,0,0,0,0|1,0,1]=4 8428 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)F 62a_100010202630_100000211628 [0,2,0,0,0,0|1,0,1]=4 8429 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)O 62a_100000211628_100010187914 [0,2,0,0,0,0|1,0,1]=4 8430 B17R1.34 CCCCOC(=O)CSc1cccc(c1Br)O 62a_100010187914_100000211628 [0,2,0,0,0,0|1,0,1]=4 8431 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)Br 62a_100000211628_100012353703 [0,2,0,0,0,0|1,0,1]=4 8432 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)Br 62a_100012353703_100000211628 [0,2,0,0,0,0|1,0,1]=4 8433 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)C 62a_100000211628_100011214922 [0,2,0,0,0,0|1,0,1]=4 8434 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)C 62a_100011214922_100000211628 [0,2,0,0,0,0|1,0,1]=4 8435 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)Cl 62a_100000211628_100000726075 [0,2,0,0,0,0|1,0,1]=4 8436 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)Cl 62a_100000726075_100000211628 [0,2,0,0,0,0|1,0,1]=4 8437 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)F 62a_100000211628_100011216893 [0,2,0,0,0,0|1,0,1]=4 8438 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)F 62a_100011216893_100000211628 [0,2,0,0,0,0|1,0,1]=4 8439 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)N 62a_100000211628_100000761887 [0,2,0,0,0,0|1,0,1]=4 8440 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)N 62a_100000761887_100000211628 [0,2,0,0,0,0|1,0,1]=4 8441 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)O 62a_100000211628_100012002258 [0,2,0,0,0,0|1,0,1]=4 8442 B17R1.34 CCCCOC(=O)CSc1cccc(c1C)O 62a_100012002258_100000211628 [0,2,0,0,0,0|1,0,1]=4 8443 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)Br 62a_100000211628_100010142854 [0,2,0,0,0,0|1,0,1]=4 8444 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)Br 62a_100010142854_100000211628 [0,2,0,0,0,0|1,0,1]=4 8445 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)C 62a_100000211628_200012352035 [0,2,0,0,0,0|1,0,1]=4 8446 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)C 62a_200012352035_100000211628 [0,2,0,0,0,0|1,0,1]=4 8447 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)Cl 62a_100000211628_100011215384 [0,2,0,0,0,0|1,0,1]=4 8448 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)Cl 62a_100011215384_100000211628 [0,2,0,0,0,0|1,0,1]=4 8449 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)F 62a_100000211628_200010234923 [0,2,0,0,0,0|1,0,1]=4 8450 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)F 62a_200010234923_100000211628 [0,2,0,0,0,0|1,0,1]=4 8451 B17R1.34 CCCCOC(=O)CSc1cccc(c1Cl)O 62a_100000211628_100000049636 [0,2,0,0,0,0|1,0,1]=4 8452 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)Br 62a_100000211628_100000702267 [0,2,0,0,0,0|1,0,1]=4 8453 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)Br 62a_100000702267_100000211628 [0,2,0,0,0,0|1,0,1]=4 8454 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)C 62a_100000211628_100000717567 [0,2,0,0,0,0|1,0,1]=4 8455 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)C 62a_100000717567_100000211628 [0,2,0,0,0,0|1,0,1]=4 8456 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)Cl 62a_100000211628_100011217346 [0,2,0,0,0,0|1,0,1]=4 8457 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)Cl 62a_100011217346_100000211628 [0,2,0,0,0,0|1,0,1]=4 8458 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)F 62a_100000211628_100000694657 [0,2,0,0,0,0|1,0,1]=4 8459 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)F 62a_100000694657_100000211628 [0,2,0,0,0,0|1,0,1]=4 8460 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)N 62a_100000211628_100011935091 [0,2,0,0,0,0|1,0,1]=4 8461 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)N 62a_100011935091_100000211628 [0,2,0,0,0,0|1,0,1]=4 8462 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)O 62a_100000211628_100009817021 [0,2,0,0,0,0|1,0,1]=4 8463 B17R1.34 CCCCOC(=O)CSc1cccc(c1F)O 62a_100009817021_100000211628 [0,2,0,0,0,0|1,0,1]=4 8464 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)Br 62a_100000211628_100010146558 [0,2,0,0,0,0|1,0,1]=4 8465 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)Br 62a_100010146558_100000211628 [0,2,0,0,0,0|1,0,1]=4 8466 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)C 62a_100000211628_100011834072 [0,2,0,0,0,0|1,0,1]=4 8467 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)C 62a_100011834072_100000211628 [0,2,0,0,0,0|1,0,1]=4 8468 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)Cl 62a_100000211628_100010190421 [0,2,0,0,0,0|1,0,1]=4 8469 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)Cl 62a_100010190421_100000211628 [0,2,0,0,0,0|1,0,1]=4 8470 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)F 62a_100000042321_100000211628 [0,2,0,0,0,0|1,0,1]=4 8471 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)F 62a_100000211628_100000042321 [0,2,0,0,0,0|1,0,1]=4 8472 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)N 62a_100015191791_100000211628 [0,2,0,0,0,0|1,0,1]=4 8473 B17R1.34 CCCCOC(=O)CSc1cccc(c1N)O 62a_100000211628_100011934926 [0,2,0,0,0,0|1,0,1]=4 8474 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)Br 62a_100000211628_100010084509 [0,2,0,0,0,0|1,0,1]=4 8475 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000211628 [0,2,0,0,0,0|1,0,1]=4 8476 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)C 62a_100000211628_100009817157 [0,2,0,0,0,0|1,0,1]=4 8477 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)C 62a_100009817157_100000211628 [0,2,0,0,0,0|1,0,1]=4 8478 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)Cl 62a_100000211628_100010202889 [0,2,0,0,0,0|1,0,1]=4 8479 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000211628 [0,2,0,0,0,0|1,0,1]=4 8480 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)F 62a_100000211628_100009813666 [0,2,0,0,0,0|1,0,1]=4 8481 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)F 62a_100009813666_100000211628 [0,2,0,0,0,0|1,0,1]=4 8482 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)N 62a_100000211628_100010084371 [0,2,0,0,0,0|1,0,1]=4 8483 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)N 62a_100011934915_100000211628 [0,2,0,0,0,0|1,0,1]=4 8484 B17R1.34 CCCCOC(=O)CSc1cccc(c1O)O 62a_100000211628_100009815950 [0,2,0,0,0,0|1,0,1]=4 8485 B17R1.34 CCCNNC(=O)C=Cc1cccc(c1C)F 22a_100000740057_100102526135 [0,2,0,0,0,0|2,0,0]=4 8486 B17R1.34 CCCNNC(=O)C=Cc1cccc(c1Cl)Cl 22a_100000740057_100000184505 [0,2,0,0,0,0|2,0,0]=4 8487 B17R1.34 CCCNNC(=O)C=Cc1cccc(c1F)Br 22a_100000740057_100012351547 [0,2,0,0,0,0|2,0,0]=4 8488 B17R1.34 CCCNNC(=O)C=Cc1cccc(c1F)Cl 22a_100000740057_100011217667 [0,2,0,0,0,0|2,0,0]=4 8489 B17R1.34 CCCNNC(=O)C=Cc1cccc(c1F)F 22a_100000740057_100102526107 [0,2,0,0,0,0|2,0,0]=4 8490 B17R1.34 CCCOCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100010632825 [0,2,0,0,0,0|2,0,0]=4 8491 B17R1.34 CCCOCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100010632825 [0,2,0,0,0,0|2,0,0]=4 8492 B17R1.34 CCCOCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100010632825 [0,2,0,0,0,0|2,0,0]=4 8493 B17R1.34 CCCSCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100011343953 [0,2,0,0,0,0|2,0,0]=4 8494 B17R1.34 CCCSCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100011343953 [0,2,0,0,0,0|2,0,0]=4 8495 B17R1.34 CCCSCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100011343953 [0,2,0,0,0,0|2,0,0]=4 8496 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100011215890 [0,2,0,0,0,0|2,0,0]=4 8497 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100011215890 [0,2,0,0,0,0|2,0,0]=4 8498 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100011215890 [0,2,0,0,0,0|2,0,0]=4 8499 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100011215890 [0,2,0,0,0,0|2,0,0]=4 8500 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100011215890 [0,2,0,0,0,0|2,0,0]=4 8501 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_200011216536 [0,2,0,0,0,0|2,0,0]=4 8502 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_200011216536 [0,2,0,0,0,0|2,0,0]=4 8503 B17R1.34 CCOCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_200011216536 [0,2,0,0,0,0|2,0,0]=4 8504 B17R1.34 CCSCCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000757381 [0,2,0,0,0,0|2,0,0]=4 8505 B17R1.34 CCSCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000757381 [0,2,0,0,0,0|2,0,0]=4 8506 B17R1.34 CCSCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000757381 [0,2,0,0,0,0|2,0,0]=4 8507 B17R1.34 CCSCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000757381 [0,2,0,0,0,0|2,0,0]=4 8508 B17R1.34 CCSCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000757381 [0,2,0,0,0,0|2,0,0]=4 8509 B17R1.34 COCCCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000740836 [0,2,0,0,0,0|2,0,0]=4 8510 B17R1.34 COCCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000740836 [0,2,0,0,0,0|2,0,0]=4 8511 B17R1.34 COCCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000740836 [0,2,0,0,0,0|2,0,0]=4 8512 B17R1.34 COCCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000740836 [0,2,0,0,0,0|2,0,0]=4 8513 B17R1.34 COCCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000740836 [0,2,0,0,0,0|2,0,0]=4 8514 B17R1.34 COCCNC(=O)C=Cc1cccc(c1C)F 1626a_100000209980_100102526135 [0,2,0,0,0,0|2,0,0]=4 8515 B17R1.34 COCCNC(=O)C=Cc1cccc(c1C)F 240690a_100000209980_100102526135 [0,2,0,0,0,0|2,0,0]=4 8516 B17R1.34 COCCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100000209980_100000184505 [0,2,0,0,0,0|2,0,0]=4 8517 B17R1.34 COCCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100000209980_100000184505 [0,2,0,0,0,0|2,0,0]=4 8518 B17R1.34 COCCNC(=O)C=Cc1cccc(c1F)Br 1626a_100000209980_100012351547 [0,2,0,0,0,0|2,0,0]=4 8519 B17R1.34 COCCNC(=O)C=Cc1cccc(c1F)Br 240690a_100000209980_100012351547 [0,2,0,0,0,0|2,0,0]=4 8520 B17R1.34 COCCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100000209980_100011217667 [0,2,0,0,0,0|2,0,0]=4 8521 B17R1.34 COCCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100000209980_100011217667 [0,2,0,0,0,0|2,0,0]=4 8522 B17R1.34 COCCNC(=O)C=Cc1cccc(c1F)F 1626a_100000209980_100102526107 [0,2,0,0,0,0|2,0,0]=4 8523 B17R1.34 COCCNC(=O)C=Cc1cccc(c1F)F 240690a_100000209980_100102526107 [0,2,0,0,0,0|2,0,0]=4 8524 B17R1.34 CSCCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100011399439 [0,2,0,0,0,0|2,0,0]=4 8525 B17R1.34 CSCCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100011399439 [0,2,0,0,0,0|2,0,0]=4 8526 B17R1.34 CSCCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100011399439 [0,2,0,0,0,0|2,0,0]=4 8527 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1C)F 11a_100020590264_100102526135 [0,2,0,0,0,0|2,0,0]=4 8528 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1C)F 1626a_100020590264_100102526135 [0,2,0,0,0,0|2,0,0]=4 8529 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1C)F 240690a_100020590264_100102526135 [0,2,0,0,0,0|2,0,0]=4 8530 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100020590264_100000184505 [0,2,0,0,0,0|2,0,0]=4 8531 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100020590264_100000184505 [0,2,0,0,0,0|2,0,0]=4 8532 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100020590264_100000184505 [0,2,0,0,0,0|2,0,0]=4 8533 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)Br 11a_100020590264_100012351547 [0,2,0,0,0,0|2,0,0]=4 8534 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)Br 1626a_100020590264_100012351547 [0,2,0,0,0,0|2,0,0]=4 8535 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)Br 240690a_100020590264_100012351547 [0,2,0,0,0,0|2,0,0]=4 8536 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)Cl 11a_100020590264_100011217667 [0,2,0,0,0,0|2,0,0]=4 8537 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100020590264_100011217667 [0,2,0,0,0,0|2,0,0]=4 8538 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100020590264_100011217667 [0,2,0,0,0,0|2,0,0]=4 8539 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)F 11a_100020590264_100102526107 [0,2,0,0,0,0|2,0,0]=4 8540 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)F 1626a_100020590264_100102526107 [0,2,0,0,0,0|2,0,0]=4 8541 B17R1.34 CSCCNC(=O)C=Cc1cccc(c1F)F 240690a_100020590264_100102526107 [0,2,0,0,0,0|2,0,0]=4 8542 B17R1.34 Cc1c(cccc1C=CC(=O)CCCCF)F 1458a_100102526135_100000729493 [0,2,0,0,0,0|2,0,0]=4 8543 B17R1.34 Cc1c(cccc1C=CC(=O)CCCCO)F 1458a_100102526135_100000210776 [0,2,0,0,0,0|2,0,0]=4 8544 B17R1.34 Cc1c(cccc1C=CC(=O)NCCCF)F 11a_100015189416_100102526135 [0,2,0,0,0,0|2,0,0]=4 8545 B17R1.34 Cc1c(cccc1C=CC(=O)NCCCF)F 1626a_100015189416_100102526135 [0,2,0,0,0,0|2,0,0]=4 8546 B17R1.34 Cc1c(cccc1C=CC(=O)NCCCF)F 240690a_100015189416_100102526135 [0,2,0,0,0,0|2,0,0]=4 8547 B17R1.34 Cc1c(cccc1C=CC(=O)NCCCO)F 240690a_100000182051_100102526135 [0,2,0,0,0,0|2,0,0]=4 8548 B17R1.34 O=C(C=Cc1cccc(c1Cl)Cl)CCCCF 1458a_100000184505_100000729493 [0,2,0,0,0,0|2,0,0]=4 8549 B17R1.34 O=C(C=Cc1cccc(c1Cl)Cl)CCCCO 1458a_100000184505_100000210776 [0,2,0,0,0,0|2,0,0]=4 8550 B17R1.34 O=C(C=Cc1cccc(c1Cl)Cl)NCCCF 11a_100015189416_100000184505 [0,2,0,0,0,0|2,0,0]=4 8551 B17R1.34 O=C(C=Cc1cccc(c1Cl)Cl)NCCCF 1626a_100015189416_100000184505 [0,2,0,0,0,0|2,0,0]=4 8552 B17R1.34 O=C(C=Cc1cccc(c1Cl)Cl)NCCCF 240690a_100015189416_100000184505 [0,2,0,0,0,0|2,0,0]=4 8553 B17R1.34 O=C(C=Cc1cccc(c1Cl)Cl)NCCCO 240690a_100000182051_100000184505 [0,2,0,0,0,0|2,0,0]=4 8554 B17R1.34 O=C(C=Cc1cccc(c1F)Br)CCCCF 1458a_100012351547_100000729493 [0,2,0,0,0,0|2,0,0]=4 8555 B17R1.34 O=C(C=Cc1cccc(c1F)Br)CCCCO 1458a_100012351547_100000210776 [0,2,0,0,0,0|2,0,0]=4 8556 B17R1.34 O=C(C=Cc1cccc(c1F)Br)NCCCF 11a_100015189416_100012351547 [0,2,0,0,0,0|2,0,0]=4 8557 B17R1.34 O=C(C=Cc1cccc(c1F)Br)NCCCF 1626a_100015189416_100012351547 [0,2,0,0,0,0|2,0,0]=4 8558 B17R1.34 O=C(C=Cc1cccc(c1F)Br)NCCCF 240690a_100015189416_100012351547 [0,2,0,0,0,0|2,0,0]=4 8559 B17R1.34 O=C(C=Cc1cccc(c1F)Br)NCCCO 240690a_100000182051_100012351547 [0,2,0,0,0,0|2,0,0]=4 8560 B17R1.34 O=C(C=Cc1cccc(c1F)Cl)CCCCF 1458a_100011217667_100000729493 [0,2,0,0,0,0|2,0,0]=4 8561 B17R1.34 O=C(C=Cc1cccc(c1F)Cl)CCCCO 1458a_100011217667_100000210776 [0,2,0,0,0,0|2,0,0]=4 8562 B17R1.34 O=C(C=Cc1cccc(c1F)Cl)NCCCF 11a_100015189416_100011217667 [0,2,0,0,0,0|2,0,0]=4 8563 B17R1.34 O=C(C=Cc1cccc(c1F)Cl)NCCCF 1626a_100015189416_100011217667 [0,2,0,0,0,0|2,0,0]=4 8564 B17R1.34 O=C(C=Cc1cccc(c1F)Cl)NCCCF 240690a_100015189416_100011217667 [0,2,0,0,0,0|2,0,0]=4 8565 B17R1.34 O=C(C=Cc1cccc(c1F)Cl)NCCCO 240690a_100000182051_100011217667 [0,2,0,0,0,0|2,0,0]=4 8566 B17R1.34 O=C(C=Cc1cccc(c1F)F)CCCCBr 6a_100000753312_100009817362 [0,2,0,0,0,0|2,0,0]=4 8567 B17R1.34 O=C(C=Cc1cccc(c1F)F)CCCCCl 6a_100000753312_100000735457 [0,2,0,0,0,0|2,0,0]=4 8568 B17R1.34 O=C(C=Cc1cccc(c1F)F)CCCCF 1458a_100102526107_100000729493 [0,2,0,0,0,0|2,0,0]=4 8569 B17R1.34 O=C(C=Cc1cccc(c1F)F)CCCCO 1458a_100102526107_100000210776 [0,2,0,0,0,0|2,0,0]=4 8570 B17R1.34 O=C(C=Cc1cccc(c1F)F)NCCCF 11a_100015189416_100102526107 [0,2,0,0,0,0|2,0,0]=4 8571 B17R1.34 O=C(C=Cc1cccc(c1F)F)NCCCF 1626a_100015189416_100102526107 [0,2,0,0,0,0|2,0,0]=4 8572 B17R1.34 O=C(C=Cc1cccc(c1F)F)NCCCF 240690a_100015189416_100102526107 [0,2,0,0,0,0|2,0,0]=4 8573 B17R1.34 O=C(C=Cc1cccc(c1F)F)NCCCO 240690a_100000182051_100102526107 [0,2,0,0,0,0|2,0,0]=4 8574 B17R1.34 O=C(C=Cc1cccc(c1F)I)CCCCBr 6a_100010202174_100009817362 [0,2,0,0,0,0|2,0,0]=4 8575 B17R1.34 O=C(C=Cc1cccc(c1F)I)CCCCCl 6a_100010202174_100000735457 [0,2,0,0,0,0|2,0,0]=4 8576 B17R1.34 O=C(C=Cc1cccc(c1I)F)CCCCBr 6a_100010186293_100009817362 [0,2,0,0,0,0|2,0,0]=4 8577 B17R1.34 O=C(C=Cc1cccc(c1I)F)CCCCCl 6a_100010186293_100000735457 [0,2,0,0,0,0|2,0,0]=4 8578 B17R1.742 C#CCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100010269958 [0,2,0,0,0,0|1,0,1]=4 8579 B17R1.742 C#CCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100010269958 [0,2,0,0,0,0|1,0,1]=4 8580 B17R1.742 C#CCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100010269958 [0,2,0,0,0,0|1,0,1]=4 8581 B17R1.742 C#CCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100010269958 [0,2,0,0,0,0|1,0,1]=4 8582 B17R1.742 C#CCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100010269958 [0,2,0,0,0,0|1,0,1]=4 8583 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000718082_100016258244 [0,2,0,0,0,0|1,0,1]=4 8584 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000718082_100016258244 [0,2,0,0,0,0|1,0,1]=4 8585 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000718082_100016258244 [0,2,0,0,0,0|1,0,1]=4 8586 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)C 11a_100000718082_100000690095 [0,2,0,0,0,0|1,0,1]=4 8587 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000718082_100000690095 [0,2,0,0,0,0|1,0,1]=4 8588 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000718082_100000690095 [0,2,0,0,0,0|1,0,1]=4 8589 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000718082_100000184502 [0,2,0,0,0,0|1,0,1]=4 8590 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000718082_100000184502 [0,2,0,0,0,0|1,0,1]=4 8591 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000718082_100000184502 [0,2,0,0,0,0|1,0,1]=4 8592 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)F 11a_100000718082_100000718793 [0,2,0,0,0,0|1,0,1]=4 8593 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000718082_100000718793 [0,2,0,0,0,0|1,0,1]=4 8594 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000718082_100000718793 [0,2,0,0,0,0|1,0,1]=4 8595 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)I 11a_100000718082_100020647043 [0,2,0,0,0,0|1,0,1]=4 8596 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000718082_100020647043 [0,2,0,0,0,0|1,0,1]=4 8597 B17R1.742 C#CCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000718082_100020647043 [0,2,0,0,0,0|1,0,1]=4 8598 B17R1.742 C=CCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215482 [0,2,0,0,0,0|1,0,1]=4 8599 B17R1.742 C=CCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011215482 [0,2,0,0,0,0|1,0,1]=4 8600 B17R1.742 C=CCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215482 [0,2,0,0,0,0|1,0,1]=4 8601 B17R1.742 C=CCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215482 [0,2,0,0,0,0|1,0,1]=4 8602 B17R1.742 C=CCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215482 [0,2,0,0,0,0|1,0,1]=4 8603 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000700776_100016258244 [0,2,0,0,0,0|1,0,1]=4 8604 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000700776_100016258244 [0,2,0,0,0,0|1,0,1]=4 8605 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000700776_100016258244 [0,2,0,0,0,0|1,0,1]=4 8606 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)C 11a_100000700776_100000690095 [0,2,0,0,0,0|1,0,1]=4 8607 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000700776_100000690095 [0,2,0,0,0,0|1,0,1]=4 8608 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000700776_100000690095 [0,2,0,0,0,0|1,0,1]=4 8609 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000700776_100000184502 [0,2,0,0,0,0|1,0,1]=4 8610 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000700776_100000184502 [0,2,0,0,0,0|1,0,1]=4 8611 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000700776_100000184502 [0,2,0,0,0,0|1,0,1]=4 8612 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)F 11a_100000700776_100000718793 [0,2,0,0,0,0|1,0,1]=4 8613 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000700776_100000718793 [0,2,0,0,0,0|1,0,1]=4 8614 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000700776_100000718793 [0,2,0,0,0,0|1,0,1]=4 8615 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)I 11a_100000700776_100020647043 [0,2,0,0,0,0|1,0,1]=4 8616 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000700776_100020647043 [0,2,0,0,0,0|1,0,1]=4 8617 B17R1.742 C=CCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000700776_100020647043 [0,2,0,0,0,0|1,0,1]=4 8618 B17R1.742 CC/C=C\CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100015370543 [0,2,0,0,0,0|1,0,1]=4 8619 B17R1.742 CC/C=C\CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100015370543 [0,2,0,0,0,0|1,0,1]=4 8620 B17R1.742 CC/C=C\CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100015370543 [0,2,0,0,0,0|1,0,1]=4 8621 B17R1.742 CC/C=C\CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100015370543 [0,2,0,0,0,0|1,0,1]=4 8622 B17R1.742 CC/C=C\CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100015370543 [0,2,0,0,0,0|1,0,1]=4 8623 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210757 [0,2,0,0,0,0|1,0,0]=3 8624 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210989 [0,2,0,0,0,0|1,0,0]=3 8625 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210757 [0,2,0,0,0,0|1,0,0]=3 8626 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210757 [0,2,0,0,0,0|1,0,0]=3 8627 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210757 [0,2,0,0,0,0|1,0,0]=3 8628 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210989 [0,2,0,0,0,0|1,0,0]=3 8629 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210757 [0,2,0,0,0,0|1,0,0]=3 8630 B17R1.742 CCCCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210989 [0,2,0,0,0,0|1,0,0]=3 8631 B17R1.742 CCCCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000210989 [0,2,0,0,0,0|2,0,0]=4 8632 B17R1.742 CCCCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000210989 [0,2,0,0,0,0|2,0,0]=4 8633 B17R1.742 CCCCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000210989 [0,2,0,0,0,0|2,0,0]=4 8634 B17R1.742 CCCCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000210989 [0,2,0,0,0,0|2,0,0]=4 8635 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000209983_100016258244 [0,2,0,0,0,0|1,0,0]=3 8636 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000209983_100016258244 [0,2,0,0,0,0|1,0,0]=3 8637 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000209983_100016258244 [0,2,0,0,0,0|1,0,0]=3 8638 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)C 11a_100000209983_100000690095 [0,2,0,0,0,0|1,0,0]=3 8639 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000209983_100000690095 [0,2,0,0,0,0|1,0,0]=3 8640 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000209983_100000690095 [0,2,0,0,0,0|1,0,0]=3 8641 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000209983_100000184502 [0,2,0,0,0,0|1,0,0]=3 8642 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000209983_100000184502 [0,2,0,0,0,0|1,0,0]=3 8643 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000209983_100000184502 [0,2,0,0,0,0|1,0,0]=3 8644 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)F 11a_100000209983_100000718793 [0,2,0,0,0,0|1,0,0]=3 8645 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000209983_100000718793 [0,2,0,0,0,0|1,0,0]=3 8646 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000209983_100000718793 [0,2,0,0,0,0|1,0,0]=3 8647 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)I 11a_100000209983_100020647043 [0,2,0,0,0,0|1,0,0]=3 8648 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000209983_100020647043 [0,2,0,0,0,0|1,0,0]=3 8649 B17R1.742 CCCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000209983_100020647043 [0,2,0,0,0,0|1,0,0]=3 8650 B17R1.742 CCCCNN=C(C)C=Cc1cccc(c1)Br 4a_100025702795_200016266566 [0,2,0,0,0,0|2,0,0]=4 8651 B17R1.742 CCCCNN=C(C)C=Cc1cccc(c1)Cl 4a_100025702795_200016280735 [0,2,0,0,0,0|2,0,0]=4 8652 B17R1.742 CCCCNNC(=O)C=Cc1cccc(c1)Br 22a_100025702795_100016258244 [0,2,0,0,0,0|1,0,0]=3 8653 B17R1.742 CCCCNNC(=O)C=Cc1cccc(c1)C 22a_100025702795_100000690095 [0,2,0,0,0,0|1,0,0]=3 8654 B17R1.742 CCCCNNC(=O)C=Cc1cccc(c1)Cl 22a_100025702795_100000184502 [0,2,0,0,0,0|1,0,0]=3 8655 B17R1.742 CCCCNNC(=O)C=Cc1cccc(c1)F 22a_100025702795_100000718793 [0,2,0,0,0,0|1,0,0]=3 8656 B17R1.742 CCCCNNC(=O)C=Cc1cccc(c1)I 22a_100025702795_100020647043 [0,2,0,0,0,0|1,0,0]=3 8657 B17R1.742 CCCCNNC(=O)C=Cc1cccc(c1)O 22a_100025702795_100102525460 [0,2,0,0,0,0|1,0,0]=3 8658 B17R1.742 CCCCOCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100011995733 [0,2,0,0,0,0|0,0,2]=4 8659 B17R1.742 CCCCOCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100011995733 [0,2,0,0,0,0|0,0,2]=4 8660 B17R1.742 CCCCOCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100011995733 [0,2,0,0,0,0|0,0,2]=4 8661 B17R1.742 CCCCOCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100011995733 [0,2,0,0,0,0|0,0,2]=4 8662 B17R1.742 CCCCOCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100011995733 [0,2,0,0,0,0|0,0,2]=4 8663 B17R1.742 CCCCOCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011995733 [0,2,0,0,0,0|0,0,0]=2 8664 B17R1.742 CCCCOCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011995733 [0,2,0,0,0,0|0,0,0]=2 8665 B17R1.742 CCCCOCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011995733 [0,2,0,0,0,0|0,0,0]=2 8666 B17R1.742 CCCCOCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011995733 [0,2,0,0,0,0|0,0,0]=2 8667 B17R1.742 CCCCOCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011995733 [0,2,0,0,0,0|0,0,0]=2 8668 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100011995733 [0,2,0,0,0,0|0,0,2]=4 8669 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)Br 1458a_100000757543_100011740638 [0,2,0,0,0,0|0,0,2]=4 8670 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)C 1458a_100000234952_100011995733 [0,2,0,0,0,0|0,0,2]=4 8671 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)C 1458a_100000757543_100011713685 [0,2,0,0,0,0|0,0,2]=4 8672 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100011995733 [0,2,0,0,0,0|0,0,2]=4 8673 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)Cl 1458a_100000757543_100011713710 [0,2,0,0,0,0|0,0,2]=4 8674 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)F 1458a_100000235673_100011995733 [0,2,0,0,0,0|0,0,2]=4 8675 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)F 1458a_100000757543_100011217235 [0,2,0,0,0,0|0,0,2]=4 8676 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)I 1458a_100010007846_100011995733 [0,2,0,0,0,0|0,0,2]=4 8677 B17R1.742 CCCCOCC(=O)CCc1cccc(c1)O 1458a_100011216126_100011995733 [0,2,0,0,0,0|0,0,2]=4 8678 B17R1.742 CCCCOCC(=O)COc1cccc(c1)Br 1458a_100000182359_100011995733 [0,2,0,0,0,0|1,0,1]=4 8679 B17R1.742 CCCCOCC(=O)COc1cccc(c1)C 1458a_100000183606_100011995733 [0,2,0,0,0,0|1,0,1]=4 8680 B17R1.742 CCCCOCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100011995733 [0,2,0,0,0,0|1,0,1]=4 8681 B17R1.742 CCCCOCC(=O)COc1cccc(c1)F 1458a_100000182781_100011995733 [0,2,0,0,0,0|1,0,1]=4 8682 B17R1.742 CCCCOCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100011995733 [0,2,0,0,0,0|1,0,1]=4 8683 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000757543 [0,2,0,0,0,0|1,0,1]=4 8684 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000757543 [0,2,0,0,0,0|1,0,1]=4 8685 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000757543 [0,2,0,0,0,0|1,0,1]=4 8686 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Br 34a_100000210227_100011263252 [0,2,0,0,0,0|1,0,1]=4 8687 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000757543 [0,2,0,0,0,0|1,0,1]=4 8688 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Br 7a_100000210227_100011263252 [0,2,0,0,0,0|1,0,1]=4 8689 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)C 11a_100000185548_100000757543 [0,2,0,0,0,0|1,0,1]=4 8690 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000757543 [0,2,0,0,0,0|1,0,1]=4 8691 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000757543 [0,2,0,0,0,0|1,0,1]=4 8692 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)C 34a_100000210227_100000754571 [0,2,0,0,0,0|1,0,1]=4 8693 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)C 527a_100000185548_100000757543 [0,2,0,0,0,0|1,0,1]=4 8694 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)C 7a_100000210227_100000754571 [0,2,0,0,0,0|1,0,1]=4 8695 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000757543 [0,2,0,0,0,0|1,0,1]=4 8696 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000757543 [0,2,0,0,0,0|1,0,1]=4 8697 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000757543 [0,2,0,0,0,0|1,0,1]=4 8698 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Cl 34a_100000210227_100000181154 [0,2,0,0,0,0|1,0,1]=4 8699 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000757543 [0,2,0,0,0,0|1,0,1]=4 8700 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)Cl 7a_100000210227_100000181154 [0,2,0,0,0,0|1,0,1]=4 8701 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)F 11a_100000174948_100000757543 [0,2,0,0,0,0|1,0,1]=4 8702 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000757543 [0,2,0,0,0,0|1,0,1]=4 8703 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000757543 [0,2,0,0,0,0|1,0,1]=4 8704 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)F 34a_100000210227_100000738998 [0,2,0,0,0,0|1,0,1]=4 8705 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)F 527a_100000174948_100000757543 [0,2,0,0,0,0|1,0,1]=4 8706 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)F 7a_100000210227_100000738998 [0,2,0,0,0,0|1,0,1]=4 8707 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)I 11a_100000106179_100000757543 [0,2,0,0,0,0|1,0,1]=4 8708 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000757543 [0,2,0,0,0,0|1,0,1]=4 8709 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000757543 [0,2,0,0,0,0|1,0,1]=4 8710 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)I 527a_100000106179_100000757543 [0,2,0,0,0,0|1,0,1]=4 8711 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000757543 [0,2,0,0,0,0|1,0,1]=4 8712 B17R1.742 CCCCOCC(=O)NCc1cccc(c1)O 527a_100000743036_100000757543 [0,2,0,0,0,0|1,0,1]=4 8713 B17R1.742 CCCCOCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000757543 [0,2,0,0,0,0|2,0,0]=4 8714 B17R1.742 CCCCOCC(=O)NNc1cccc(c1)C 22a_100000681630_100000757543 [0,2,0,0,0,0|2,0,0]=4 8715 B17R1.742 CCCCOCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000757543 [0,2,0,0,0,0|2,0,0]=4 8716 B17R1.742 CCCCOCC(=O)NNc1cccc(c1)F 22a_100000745080_100000757543 [0,2,0,0,0,0|2,0,0]=4 8717 B17R1.742 CCCCOCC(=O)NNc1cccc(c1)I 22a_100020605690_100000757543 [0,2,0,0,0,0|2,0,0]=4 8718 B17R1.742 CCCOCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215938 [0,2,0,0,0,0|1,0,0]=3 8719 B17R1.742 CCCOCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011215938 [0,2,0,0,0,0|1,0,0]=3 8720 B17R1.742 CCCOCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215938 [0,2,0,0,0,0|1,0,0]=3 8721 B17R1.742 CCCOCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215938 [0,2,0,0,0,0|1,0,0]=3 8722 B17R1.742 CCCOCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215938 [0,2,0,0,0,0|1,0,0]=3 8723 B17R1.742 CCNCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100015204191 [0,2,0,0,0,0|1,0,0]=3 8724 B17R1.742 CCNCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100015204191 [0,2,0,0,0,0|1,0,0]=3 8725 B17R1.742 CCNCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100015204191 [0,2,0,0,0,0|1,0,0]=3 8726 B17R1.742 CCNCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100015204191 [0,2,0,0,0,0|2,0,0]=4 8727 B17R1.742 CCNCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100015204191 [0,2,0,0,0,0|2,0,0]=4 8728 B17R1.742 CCNCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100015204191 [0,2,0,0,0,0|2,0,0]=4 8729 B17R1.742 CCNCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100015204191 [0,2,0,0,0,0|2,0,0]=4 8730 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100012232248 [0,2,0,0,0,0|1,0,0]=3 8731 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000759496 [0,2,0,0,0,0|1,0,0]=3 8732 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100012232248 [0,2,0,0,0,0|1,0,0]=3 8733 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100012232248 [0,2,0,0,0,0|1,0,0]=3 8734 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100012232248 [0,2,0,0,0,0|1,0,0]=3 8735 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000759496 [0,2,0,0,0,0|1,0,0]=3 8736 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100012232248 [0,2,0,0,0,0|1,0,0]=3 8737 B17R1.742 CCOCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000759496 [0,2,0,0,0,0|1,0,0]=3 8738 B17R1.742 CCOCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000759496 [0,2,0,0,0,0|2,0,0]=4 8739 B17R1.742 CCOCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000759496 [0,2,0,0,0,0|2,0,0]=4 8740 B17R1.742 CCOCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000759496 [0,2,0,0,0,0|2,0,0]=4 8741 B17R1.742 CCOCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000759496 [0,2,0,0,0,0|2,0,0]=4 8742 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)Br 11a_100011200944_100016258244 [0,2,0,0,0,0|1,0,0]=3 8743 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)Br 1626a_102516460346_100016258244 [0,2,0,0,0,0|1,0,0]=3 8744 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)Br 240690a_100011200944_100016258244 [0,2,0,0,0,0|1,0,0]=3 8745 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)C 11a_100011200944_100000690095 [0,2,0,0,0,0|1,0,0]=3 8746 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)C 1626a_102516460346_100000690095 [0,2,0,0,0,0|1,0,0]=3 8747 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)C 240690a_100011200944_100000690095 [0,2,0,0,0,0|1,0,0]=3 8748 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)Cl 11a_100011200944_100000184502 [0,2,0,0,0,0|1,0,0]=3 8749 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)Cl 1626a_102516460346_100000184502 [0,2,0,0,0,0|1,0,0]=3 8750 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100011200944_100000184502 [0,2,0,0,0,0|1,0,0]=3 8751 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)F 11a_100011200944_100000718793 [0,2,0,0,0,0|1,0,0]=3 8752 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)F 1626a_102516460346_100000718793 [0,2,0,0,0,0|1,0,0]=3 8753 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)F 240690a_100011200944_100000718793 [0,2,0,0,0,0|1,0,0]=3 8754 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)I 11a_100011200944_100020647043 [0,2,0,0,0,0|1,0,0]=3 8755 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)I 1626a_102516460346_100020647043 [0,2,0,0,0,0|1,0,0]=3 8756 B17R1.742 CCOCCNC(=O)C=Cc1cccc(c1)I 240690a_100011200944_100020647043 [0,2,0,0,0,0|1,0,0]=3 8757 B17R1.742 CCOCCOC(=O)CNc1cccc(c1)Br 34a_100000210019_200000101388 [0,2,0,0,0,0|1,0,1]=4 8758 B17R1.742 CCOCCOC(=O)CNc1cccc(c1)C 2230a_100000188690_200000101388 [0,2,0,0,0,0|1,0,1]=4 8759 B17R1.742 CCOCCOC(=O)CNc1cccc(c1)C 34a_100000188690_200000101388 [0,2,0,0,0,0|1,0,1]=4 8760 B17R1.742 CCOCCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_200000101388 [0,2,0,0,0,0|1,0,1]=4 8761 B17R1.742 CCOCCOC(=O)CNc1cccc(c1)F 34a_100000210047_200000101388 [0,2,0,0,0,0|1,0,1]=4 8762 B17R1.742 CCOCCOC(=O)CNc1cccc(c1)I 34a_100000211102_200000101388 [0,2,0,0,0,0|1,0,1]=4 8763 B17R1.742 CCOCCOC(=O)CNc1cccc(c1)O 34a_100000210217_200000101388 [0,2,0,0,0,0|1,0,1]=4 8764 B17R1.742 CCOCCOC(=O)COc1cccc(c1)Br 34a_100000210342_200000101388 [0,2,0,0,0,0|1,0,1]=4 8765 B17R1.742 CCOCCOC(=O)COc1cccc(c1)Br 7a_100000210342_200000101388 [0,2,0,0,0,0|1,0,1]=4 8766 B17R1.742 CCOCCOC(=O)COc1cccc(c1)C 34a_100000210337_200000101388 [0,2,0,0,0,0|1,0,1]=4 8767 B17R1.742 CCOCCOC(=O)COc1cccc(c1)C 7a_100000210337_200000101388 [0,2,0,0,0,0|1,0,1]=4 8768 B17R1.742 CCOCCOC(=O)COc1cccc(c1)Cl 34a_100000210295_200000101388 [0,2,0,0,0,0|1,0,1]=4 8769 B17R1.742 CCOCCOC(=O)COc1cccc(c1)Cl 7a_100000210295_200000101388 [0,2,0,0,0,0|1,0,1]=4 8770 B17R1.742 CCOCCOC(=O)COc1cccc(c1)F 34a_100000210426_200000101388 [0,2,0,0,0,0|1,0,1]=4 8771 B17R1.742 CCOCCOC(=O)COc1cccc(c1)F 7a_100000210426_200000101388 [0,2,0,0,0,0|1,0,1]=4 8772 B17R1.742 CCOCCOC(=O)COc1cccc(c1)I 34a_100000211634_200000101388 [0,2,0,0,0,0|1,0,1]=4 8773 B17R1.742 CCOCCOC(=O)COc1cccc(c1)I 7a_100000211634_200000101388 [0,2,0,0,0,0|1,0,1]=4 8774 B17R1.742 CCOCCOC(=O)COc1cccc(c1)N 34a_100000210217_200000101388 [0,2,0,0,0,0|1,0,1]=4 8775 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)Br 62a_100000691529_200000101388 [0,2,0,0,0,0|1,0,1]=4 8776 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)Br 62a_200000101388_100000691529 [0,2,0,0,0,0|1,0,1]=4 8777 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)C 62a_100011215228_200000101388 [0,2,0,0,0,0|1,0,1]=4 8778 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)C 62a_200000101388_100011215228 [0,2,0,0,0,0|1,0,1]=4 8779 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_200000101388 [0,2,0,0,0,0|1,0,1]=4 8780 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)Cl 62a_200000101388_100000699651 [0,2,0,0,0,0|1,0,1]=4 8781 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)F 62a_100000685547_200000101388 [0,2,0,0,0,0|1,0,1]=4 8782 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)F 62a_200000101388_100000685547 [0,2,0,0,0,0|1,0,1]=4 8783 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)N 62a_100000210019_200000101388 [0,2,0,0,0,0|1,0,1]=4 8784 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)N 62a_200000101388_100000210019 [0,2,0,0,0,0|1,0,1]=4 8785 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)O 62a_200000101388_100000211634 [0,2,0,0,0,0|1,0,1]=4 8786 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_200000101388 [0,2,0,0,0,0|1,0,1]=4 8787 B17R1.742 CCOCCOC(=O)CSc1cccc(c1)[S] 62a_200000101388_114929384022 [0,2,0,0,0,0|1,0,1]=4 8788 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Br 11a_100000106463_100016258244 [0,2,0,0,0,0|1,0,0]=3 8789 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000106463_100016258244 [0,2,0,0,0,0|1,0,0]=3 8790 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000106463_100016258244 [0,2,0,0,0,0|1,0,0]=3 8791 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)C 11a_100000106463_100000690095 [0,2,0,0,0,0|1,0,0]=3 8792 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)C 1626a_100000106463_100000690095 [0,2,0,0,0,0|1,0,0]=3 8793 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)C 240690a_100000106463_100000690095 [0,2,0,0,0,0|1,0,0]=3 8794 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000106463_100000184502 [0,2,0,0,0,0|1,0,0]=3 8795 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000106463_100000184502 [0,2,0,0,0,0|1,0,0]=3 8796 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000106463_100000184502 [0,2,0,0,0,0|1,0,0]=3 8797 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)F 11a_100000106463_100000718793 [0,2,0,0,0,0|1,0,0]=3 8798 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)F 1626a_100000106463_100000718793 [0,2,0,0,0,0|1,0,0]=3 8799 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)F 240690a_100000106463_100000718793 [0,2,0,0,0,0|1,0,0]=3 8800 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)I 11a_100000106463_100020647043 [0,2,0,0,0,0|1,0,0]=3 8801 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)I 1626a_100000106463_100020647043 [0,2,0,0,0,0|1,0,0]=3 8802 B17R1.742 CCSCCNC(=O)C=Cc1cccc(c1)I 240690a_100000106463_100020647043 [0,2,0,0,0,0|1,0,0]=3 8803 B17R1.742 CNCCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011320585 [0,2,0,0,0,0|1,0,0]=3 8804 B17R1.742 CNCCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011320585 [0,2,0,0,0,0|1,0,0]=3 8805 B17R1.742 CNCCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011320585 [0,2,0,0,0,0|1,0,0]=3 8806 B17R1.742 CNCCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011320585 [0,2,0,0,0,0|2,0,0]=4 8807 B17R1.742 CNCCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011320585 [0,2,0,0,0,0|2,0,0]=4 8808 B17R1.742 CNCCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011320585 [0,2,0,0,0,0|2,0,0]=4 8809 B17R1.742 CNCCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011320585 [0,2,0,0,0,0|2,0,0]=4 8810 B17R1.742 COCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000755781 [0,2,0,0,0,0|1,0,0]=3 8811 B17R1.742 COCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000755781 [0,2,0,0,0,0|1,0,0]=3 8812 B17R1.742 COCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000755781 [0,2,0,0,0,0|1,0,0]=3 8813 B17R1.742 COCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000755781 [0,2,0,0,0,0|1,0,0]=3 8814 B17R1.742 COCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000755781 [0,2,0,0,0,0|1,0,0]=3 8815 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100150723488_100016258244 [0,2,0,0,0,0|1,0,0]=3 8816 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100150723488_100016258244 [0,2,0,0,0,0|1,0,0]=3 8817 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)C 1626a_100150723488_100000690095 [0,2,0,0,0,0|1,0,0]=3 8818 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)C 240690a_100150723488_100000690095 [0,2,0,0,0,0|1,0,0]=3 8819 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100150723488_100000184502 [0,2,0,0,0,0|1,0,0]=3 8820 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100150723488_100000184502 [0,2,0,0,0,0|1,0,0]=3 8821 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)F 1626a_100150723488_100000718793 [0,2,0,0,0,0|1,0,0]=3 8822 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)F 240690a_100150723488_100000718793 [0,2,0,0,0,0|1,0,0]=3 8823 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)I 1626a_100150723488_100020647043 [0,2,0,0,0,0|1,0,0]=3 8824 B17R1.742 COCCCNC(=O)C=Cc1cccc(c1)I 240690a_100150723488_100020647043 [0,2,0,0,0,0|1,0,0]=3 8825 B17R1.742 COCCNNC(=O)C=Cc1cccc(c1)Br 22a_100000741390_100016258244 [0,2,0,0,0,0|2,0,0]=4 8826 B17R1.742 COCCNNC(=O)C=Cc1cccc(c1)C 22a_100000741390_100000690095 [0,2,0,0,0,0|2,0,0]=4 8827 B17R1.742 COCCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000741390_100000184502 [0,2,0,0,0,0|2,0,0]=4 8828 B17R1.742 COCCNNC(=O)C=Cc1cccc(c1)F 22a_100000741390_100000718793 [0,2,0,0,0,0|2,0,0]=4 8829 B17R1.742 COCCNNC(=O)C=Cc1cccc(c1)I 22a_100000741390_100020647043 [0,2,0,0,0,0|2,0,0]=4 8830 B17R1.742 COCCNNC(=O)C=Cc1cccc(c1)O 22a_100000741390_100102525460 [0,2,0,0,0,0|2,0,0]=4 8831 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000749238_100016258244 [0,2,0,0,0,0|1,0,0]=3 8832 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000749238_100016258244 [0,2,0,0,0,0|1,0,0]=3 8833 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000749238_100016258244 [0,2,0,0,0,0|1,0,0]=3 8834 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)C 11a_100000749238_100000690095 [0,2,0,0,0,0|1,0,0]=3 8835 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000749238_100000690095 [0,2,0,0,0,0|1,0,0]=3 8836 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000749238_100000690095 [0,2,0,0,0,0|1,0,0]=3 8837 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000749238_100000184502 [0,2,0,0,0,0|1,0,0]=3 8838 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000749238_100000184502 [0,2,0,0,0,0|1,0,0]=3 8839 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000749238_100000184502 [0,2,0,0,0,0|1,0,0]=3 8840 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)F 11a_100000749238_100000718793 [0,2,0,0,0,0|1,0,0]=3 8841 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000749238_100000718793 [0,2,0,0,0,0|1,0,0]=3 8842 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000749238_100000718793 [0,2,0,0,0,0|1,0,0]=3 8843 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)I 11a_100000749238_100020647043 [0,2,0,0,0,0|1,0,0]=3 8844 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000749238_100020647043 [0,2,0,0,0,0|1,0,0]=3 8845 B17R1.742 CSCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000749238_100020647043 [0,2,0,0,0,0|1,0,0]=3 8846 B17R1.742 Cc1cccc(c1)C=CC(=O)CCCCC#N 1458a_100000690095_100000211819 [0,2,0,0,0,0|1,0,1]=4 8847 B17R1.742 Cc1cccc(c1)C=CC(=O)CCCCCF 1458a_100000690095_100000729378 [0,2,0,0,0,0|1,0,0]=3 8848 B17R1.742 Cc1cccc(c1)C=CC(=O)CCCCCO 1458a_100000690095_100000746330 [0,2,0,0,0,0|1,0,0]=3 8849 B17R1.742 Cc1cccc(c1)C=CC(=O)CCOCCO 1458a_100000690095_100011215305 [0,2,0,0,0,0|2,0,0]=4 8850 B17R1.742 Cc1cccc(c1)C=CC(=O)NCCCCO 240690a_100000750430_100000690095 [0,2,0,0,0,0|1,0,0]=3 8851 B17R1.742 N#CCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000211819 [0,2,0,0,0,0|1,0,1]=4 8852 B17R1.742 N#CCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000211819 [0,2,0,0,0,0|1,0,1]=4 8853 B17R1.742 N#CCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000211819 [0,2,0,0,0,0|1,0,1]=4 8854 B17R1.742 N#CCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000211819 [0,2,0,0,0,0|1,0,1]=4 8855 B17R1.742 O=C(C=Cc1cccc(c1)Br)CCCCCF 1458a_100016258244_100000729378 [0,2,0,0,0,0|1,0,0]=3 8856 B17R1.742 O=C(C=Cc1cccc(c1)Br)CCCCCO 1458a_100016258244_100000746330 [0,2,0,0,0,0|1,0,0]=3 8857 B17R1.742 O=C(C=Cc1cccc(c1)Br)CCOCCO 1458a_100016258244_100011215305 [0,2,0,0,0,0|2,0,0]=4 8858 B17R1.742 O=C(C=Cc1cccc(c1)Br)NCCCCO 240690a_100000750430_100016258244 [0,2,0,0,0,0|1,0,0]=3 8859 B17R1.742 O=C(C=Cc1cccc(c1)Cl)CCCCCF 1458a_100000184502_100000729378 [0,2,0,0,0,0|1,0,0]=3 8860 B17R1.742 O=C(C=Cc1cccc(c1)Cl)CCCCCO 1458a_100000184502_100000746330 [0,2,0,0,0,0|1,0,0]=3 8861 B17R1.742 O=C(C=Cc1cccc(c1)Cl)CCOCCO 1458a_100000184502_100011215305 [0,2,0,0,0,0|2,0,0]=4 8862 B17R1.742 O=C(C=Cc1cccc(c1)Cl)NCCCCO 240690a_100000750430_100000184502 [0,2,0,0,0,0|1,0,0]=3 8863 B17R1.742 O=C(C=Cc1cccc(c1)F)CCCCCF 1458a_100000718793_100000729378 [0,2,0,0,0,0|1,0,0]=3 8864 B17R1.742 O=C(C=Cc1cccc(c1)F)CCCCCO 1458a_100000718793_100000746330 [0,2,0,0,0,0|1,0,0]=3 8865 B17R1.742 O=C(C=Cc1cccc(c1)F)CCOCCO 1458a_100000718793_100011215305 [0,2,0,0,0,0|2,0,0]=4 8866 B17R1.742 O=C(C=Cc1cccc(c1)F)NCCCCO 240690a_100000750430_100000718793 [0,2,0,0,0,0|1,0,0]=3 8867 B17R1.742 O=C(C=Cc1cccc(c1)I)CCCCCF 1458a_100020647043_100000729378 [0,2,0,0,0,0|1,0,0]=3 8868 B17R1.742 O=C(C=Cc1cccc(c1)I)CCCCCO 1458a_100020647043_100000746330 [0,2,0,0,0,0|1,0,0]=3 8869 B17R1.742 O=C(C=Cc1cccc(c1)I)CCOCCO 1458a_100020647043_100011215305 [0,2,0,0,0,0|2,0,0]=4 8870 B17R1.742 O=C(C=Cc1cccc(c1)I)NCCCCO 240690a_100000750430_100020647043 [0,2,0,0,0,0|1,0,0]=3 8871 B17R1.742 O=CCCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000717485 [0,2,0,0,0,0|1,0,1]=4 8872 B17R1.742 O=CCCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000717485 [0,2,0,0,0,0|1,0,1]=4 8873 B17R1.742 O=CCCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000717485 [0,2,0,0,0,0|1,0,1]=4 8874 B17R1.1258 CCCCCC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100000210326 [0,2,0,0,0,0|2,0,0]=4 8875 B17R1.1258 CCCCCC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_100000210326 [0,2,0,0,0,0|2,0,0]=4 8876 B17R1.1258 CCCCNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100000102301_200011297299 [0,2,0,0,0,0|2,0,0]=4 8877 B17R1.1258 CCCCNC(=O)C(=O)Nc1cccc(c1)F 240690a_100000102301_200011297300 [0,2,0,0,0,0|2,0,0]=4 8878 B17R1.1258 CCCCOC(=O)C(C)Nc1cccc(c1)Br 34a_100000210019_100000759602 [0,2,0,0,0,0|1,0,1]=4 8879 B17R1.1258 CCCCOC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100000759602 [0,2,0,0,0,0|1,0,1]=4 8880 B17R1.1258 CCCCOC(=O)C(C)Nc1cccc(c1)C 34a_100000188690_100000759602 [0,2,0,0,0,0|1,0,1]=4 8881 B17R1.1258 CCCCOC(=O)C(C)Nc1cccc(c1)Cl 34a_100000185859_100000759602 [0,2,0,0,0,0|1,0,1]=4 8882 B17R1.1258 CCCCOC(=O)C(C)Nc1cccc(c1)F 34a_100000210047_100000759602 [0,2,0,0,0,0|1,0,1]=4 8883 B17R1.1258 CCCCOC(=O)C(C)Nc1cccc(c1)I 34a_100000211102_100000759602 [0,2,0,0,0,0|1,0,1]=4 8884 B17R1.1258 CCCCOC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100000759602 [0,2,0,0,0,0|1,0,1]=4 8885 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)Br 34a_100000210342_100000759602 [0,2,0,0,0,0|1,0,1]=4 8886 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000759602 [0,2,0,0,0,0|1,0,1]=4 8887 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)C 34a_100000210337_100000759602 [0,2,0,0,0,0|1,0,1]=4 8888 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000759602 [0,2,0,0,0,0|1,0,1]=4 8889 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)Cl 34a_100000210295_100000759602 [0,2,0,0,0,0|1,0,1]=4 8890 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000759602 [0,2,0,0,0,0|1,0,1]=4 8891 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)F 34a_100000210426_100000759602 [0,2,0,0,0,0|1,0,1]=4 8892 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000759602 [0,2,0,0,0,0|1,0,1]=4 8893 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)I 34a_100000211634_100000759602 [0,2,0,0,0,0|1,0,1]=4 8894 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000759602 [0,2,0,0,0,0|1,0,1]=4 8895 B17R1.1258 CCCCOC(=O)C(C)Oc1cccc(c1)N 34a_100000210217_100000759602 [0,2,0,0,0,0|1,0,1]=4 8896 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100000759602 [0,2,0,0,0,0|1,0,1]=4 8897 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)Br 62a_100000759602_100000691529 [0,2,0,0,0,0|1,0,1]=4 8898 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)C 62a_100000759602_100011215228 [0,2,0,0,0,0|1,0,1]=4 8899 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100000759602 [0,2,0,0,0,0|1,0,1]=4 8900 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100000759602 [0,2,0,0,0,0|1,0,1]=4 8901 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)Cl 62a_100000759602_100000699651 [0,2,0,0,0,0|1,0,1]=4 8902 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100000759602 [0,2,0,0,0,0|1,0,1]=4 8903 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)F 62a_100000759602_100000685547 [0,2,0,0,0,0|1,0,1]=4 8904 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100000759602 [0,2,0,0,0,0|1,0,1]=4 8905 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)N 62a_100000759602_100000210019 [0,2,0,0,0,0|1,0,1]=4 8906 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)O 62a_100000759602_100000211634 [0,2,0,0,0,0|1,0,1]=4 8907 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)[S] 62a_100000759602_114929384022 [0,2,0,0,0,0|1,0,1]=4 8908 B17R1.1258 CCCCOC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100000759602 [0,2,0,0,0,0|1,0,1]=4 8909 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000744482_100016258244 [0,2,0,0,0,0|2,0,0]=4 8910 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000744482_100000184502 [0,2,0,0,0,0|2,0,0]=4 8911 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)F 240690a_100000744482_100000718793 [0,2,0,0,0,0|2,0,0]=4 8912 B17R1.1403 CC(CO)CNC(=O)C=Cc1cccc(c1)I 240690a_100000744482_100020647043 [0,2,0,0,0,0|2,0,0]=4 8913 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100020588543_100016258244 [0,2,0,0,0,0|1,0,0]=3 8914 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100020588543_100016258244 [0,2,0,0,0,0|1,0,0]=3 8915 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100020588543_100016258244 [0,2,0,0,0,0|1,0,0]=3 8916 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)C 11a_100020588543_100000690095 [0,2,0,0,0,0|1,0,0]=3 8917 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)C 1626a_100020588543_100000690095 [0,2,0,0,0,0|1,0,0]=3 8918 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)C 240690a_100020588543_100000690095 [0,2,0,0,0,0|1,0,0]=3 8919 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100020588543_100000184502 [0,2,0,0,0,0|1,0,0]=3 8920 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100020588543_100000184502 [0,2,0,0,0,0|1,0,0]=3 8921 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100020588543_100000184502 [0,2,0,0,0,0|1,0,0]=3 8922 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)F 11a_100020588543_100000718793 [0,2,0,0,0,0|1,0,0]=3 8923 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100020588543_100000718793 [0,2,0,0,0,0|1,0,0]=3 8924 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100020588543_100000718793 [0,2,0,0,0,0|1,0,0]=3 8925 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)I 11a_100020588543_100020647043 [0,2,0,0,0,0|1,0,0]=3 8926 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100020588543_100020647043 [0,2,0,0,0,0|1,0,0]=3 8927 B17R1.1403 CCC(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100020588543_100020647043 [0,2,0,0,0,0|1,0,0]=3 8928 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)Br 22a_100000718999_100016258244 [0,2,0,0,0,0|2,0,0]=4 8929 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)C 22a_100000718999_100000690095 [0,2,0,0,0,0|2,0,0]=4 8930 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)Cl 22a_100000718999_100000184502 [0,2,0,0,0,0|2,0,0]=4 8931 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)F 22a_100000718999_100000718793 [0,2,0,0,0,0|2,0,0]=4 8932 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)I 22a_100000718999_100020647043 [0,2,0,0,0,0|2,0,0]=4 8933 B17R1.1403 CCC(C)NNC(=O)C=Cc1cccc(c1)O 22a_100000718999_100102525460 [0,2,0,0,0,0|2,0,0]=4 8934 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Br 11a_100011218483_100016258244 [0,2,0,0,0,0|1,0,0]=3 8935 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100011218483_100016258244 [0,2,0,0,0,0|1,0,0]=3 8936 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)C 11a_100011218483_100000690095 [0,2,0,0,0,0|1,0,0]=3 8937 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)C 240690a_100011218483_100000690095 [0,2,0,0,0,0|1,0,0]=3 8938 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100011218483_100000184502 [0,2,0,0,0,0|1,0,0]=3 8939 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100011218483_100000184502 [0,2,0,0,0,0|1,0,0]=3 8940 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)F 11a_100011218483_100000718793 [0,2,0,0,0,0|1,0,0]=3 8941 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)F 240690a_100011218483_100000718793 [0,2,0,0,0,0|1,0,0]=3 8942 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)I 11a_100011218483_100020647043 [0,2,0,0,0,0|1,0,0]=3 8943 B17R1.1403 CCC(O)CNC(=O)C=Cc1cccc(c1)I 240690a_100011218483_100020647043 [0,2,0,0,0,0|1,0,0]=3 8944 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Br 11a_100020591295_100016258244 [0,2,0,0,0,0|2,0,0]=4 8945 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100020591295_100016258244 [0,2,0,0,0,0|2,0,0]=4 8946 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100020591295_100016258244 [0,2,0,0,0,0|2,0,0]=4 8947 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)C 11a_100020591295_100000690095 [0,2,0,0,0,0|2,0,0]=4 8948 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)C 1626a_100020591295_100000690095 [0,2,0,0,0,0|2,0,0]=4 8949 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)C 240690a_100020591295_100000690095 [0,2,0,0,0,0|2,0,0]=4 8950 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100020591295_100000184502 [0,2,0,0,0,0|2,0,0]=4 8951 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100020591295_100000184502 [0,2,0,0,0,0|2,0,0]=4 8952 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100020591295_100000184502 [0,2,0,0,0,0|2,0,0]=4 8953 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)F 11a_100020591295_100000718793 [0,2,0,0,0,0|2,0,0]=4 8954 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)F 1626a_100020591295_100000718793 [0,2,0,0,0,0|2,0,0]=4 8955 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)F 240690a_100020591295_100000718793 [0,2,0,0,0,0|2,0,0]=4 8956 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)I 11a_100020591295_100020647043 [0,2,0,0,0,0|2,0,0]=4 8957 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)I 1626a_100020591295_100020647043 [0,2,0,0,0,0|2,0,0]=4 8958 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)I 240690a_100020591295_100020647043 [0,2,0,0,0,0|2,0,0]=4 8959 B17R1.1403 Cc1cccc(c1)C=CC(=O)NCC(C)CO 240690a_100000744482_100000690095 [0,2,0,0,0,0|2,0,0]=4 8960 B17R1.1403 Cc1cccc(c1)C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_100000690095 [0,2,0,0,0,0|2,0,0]=4 8961 B17R1.1403 Cc1cccc(c1)C=CC(=O)NC[C@H](O)CO 240690a_100020644852_100000690095 [0,2,0,0,0,0|2,0,0]=4 8962 B17R1.1403 O=C(C=Cc1cccc(c1)Br)NC[C@@H](F)CO 240690a_100015665980_100016258244 [0,2,0,0,0,0|2,0,0]=4 8963 B17R1.1403 O=C(C=Cc1cccc(c1)Br)NC[C@H](O)CO 240690a_100020644852_100016258244 [0,2,0,0,0,0|2,0,0]=4 8964 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@@H](F)CO 240690a_100015665980_100000184502 [0,2,0,0,0,0|2,0,0]=4 8965 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@H](O)CO 240690a_100020644852_100000184502 [0,2,0,0,0,0|2,0,0]=4 8966 B17R1.1403 O=C(C=Cc1cccc(c1)F)NC[C@@H](F)CO 240690a_100015665980_100000718793 [0,2,0,0,0,0|2,0,0]=4 8967 B17R1.1403 O=C(C=Cc1cccc(c1)F)NC[C@H](O)CO 240690a_100020644852_100000718793 [0,2,0,0,0,0|2,0,0]=4 8968 B17R1.1403 O=C(C=Cc1cccc(c1)I)NC[C@@H](F)CO 240690a_100015665980_100020647043 [0,2,0,0,0,0|2,0,0]=4 8969 B17R1.1403 O=C(C=Cc1cccc(c1)I)NC[C@H](O)CO 240690a_100020644852_100020647043 [0,2,0,0,0,0|2,0,0]=4 8970 B17R1.1607 CCCCC(C)C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200011215066 [0,2,0,0,0,0|1,0,0]=3 8971 B17R1.1607 CCCCC(C)C(=O)C=Cc1cccc(c1)C 1458a_100000690095_200011215066 [0,2,0,0,0,0|1,0,0]=3 8972 B17R1.1607 CCCCC(C)C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200011215066 [0,2,0,0,0,0|1,0,0]=3 8973 B17R1.1607 CCCCC(C)C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200011215066 [0,2,0,0,0,0|1,0,0]=3 8974 B17R1.1607 CCCCC(C)C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200011215066 [0,2,0,0,0,0|1,0,0]=3 8975 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000207549_100016258244 [0,2,0,0,0,0|1,0,0]=3 8976 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000207549_100016258244 [0,2,0,0,0,0|1,0,0]=3 8977 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000207549_100016258244 [0,2,0,0,0,0|1,0,0]=3 8978 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000207549_100000690095 [0,2,0,0,0,0|1,0,0]=3 8979 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000207549_100000690095 [0,2,0,0,0,0|1,0,0]=3 8980 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)C 240690a_100000207549_100000690095 [0,2,0,0,0,0|1,0,0]=3 8981 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000207549_100000184502 [0,2,0,0,0,0|1,0,0]=3 8982 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000207549_100000184502 [0,2,0,0,0,0|1,0,0]=3 8983 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000207549_100000184502 [0,2,0,0,0,0|1,0,0]=3 8984 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000207549_100000718793 [0,2,0,0,0,0|1,0,0]=3 8985 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000207549_100000718793 [0,2,0,0,0,0|1,0,0]=3 8986 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000207549_100000718793 [0,2,0,0,0,0|1,0,0]=3 8987 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000207549_100020647043 [0,2,0,0,0,0|1,0,0]=3 8988 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000207549_100020647043 [0,2,0,0,0,0|1,0,0]=3 8989 B17R1.1607 CCCCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000207549_100020647043 [0,2,0,0,0,0|1,0,0]=3 8990 B17R1.1607 CN(CCCO)C(=O)C=Cc1cccc(c1)Br 240690a_100000213112_100016258244 [0,2,0,0,0,0|2,0,0]=4 8991 B17R1.1607 CN(CCCO)C(=O)C=Cc1cccc(c1)Cl 240690a_100000213112_100000184502 [0,2,0,0,0,0|2,0,0]=4 8992 B17R1.1607 CN(CCCO)C(=O)C=Cc1cccc(c1)F 240690a_100000213112_100000718793 [0,2,0,0,0,0|2,0,0]=4 8993 B17R1.1607 CN(CCCO)C(=O)C=Cc1cccc(c1)I 240690a_100000213112_100020647043 [0,2,0,0,0,0|2,0,0]=4 8994 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000743101_100016258244 [0,2,0,0,0,0|2,0,0]=4 8995 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000743101_100016258244 [0,2,0,0,0,0|2,0,0]=4 8996 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000743101_100016258244 [0,2,0,0,0,0|2,0,0]=4 8997 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000743101_100000690095 [0,2,0,0,0,0|2,0,0]=4 8998 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000743101_100000690095 [0,2,0,0,0,0|2,0,0]=4 8999 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)C 240690a_100000743101_100000690095 [0,2,0,0,0,0|2,0,0]=4 9000 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000743101_100000184502 [0,2,0,0,0,0|2,0,0]=4 9001 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000743101_100000184502 [0,2,0,0,0,0|2,0,0]=4 9002 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000743101_100000184502 [0,2,0,0,0,0|2,0,0]=4 9003 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000743101_100000718793 [0,2,0,0,0,0|2,0,0]=4 9004 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000743101_100000718793 [0,2,0,0,0,0|2,0,0]=4 9005 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000743101_100000718793 [0,2,0,0,0,0|2,0,0]=4 9006 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000743101_100020647043 [0,2,0,0,0,0|2,0,0]=4 9007 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000743101_100020647043 [0,2,0,0,0,0|2,0,0]=4 9008 B17R1.1607 COCCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000743101_100020647043 [0,2,0,0,0,0|2,0,0]=4 9009 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000686725_100016258244 [0,2,0,0,0,0|2,0,0]=4 9010 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000686725_100016258244 [0,2,0,0,0,0|2,0,0]=4 9011 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000686725_100016258244 [0,2,0,0,0,0|2,0,0]=4 9012 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000686725_100000690095 [0,2,0,0,0,0|2,0,0]=4 9013 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000686725_100000690095 [0,2,0,0,0,0|2,0,0]=4 9014 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)C 240690a_100000686725_100000690095 [0,2,0,0,0,0|2,0,0]=4 9015 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000686725_100000184502 [0,2,0,0,0,0|2,0,0]=4 9016 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000686725_100000184502 [0,2,0,0,0,0|2,0,0]=4 9017 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000686725_100000184502 [0,2,0,0,0,0|2,0,0]=4 9018 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000686725_100000718793 [0,2,0,0,0,0|2,0,0]=4 9019 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000686725_100000718793 [0,2,0,0,0,0|2,0,0]=4 9020 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000686725_100000718793 [0,2,0,0,0,0|2,0,0]=4 9021 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000686725_100020647043 [0,2,0,0,0,0|2,0,0]=4 9022 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000686725_100020647043 [0,2,0,0,0,0|2,0,0]=4 9023 B17R1.1607 CSCCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000686725_100020647043 [0,2,0,0,0,0|2,0,0]=4 9024 B17R1.1607 Cc1cccc(c1)C=CC(=O)N(C)CCCO 240690a_100000213112_100000690095 [0,2,0,0,0,0|2,0,0]=4 9025 B17R1.1690 CCCC(=O)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000747444 [0,2,0,0,0,0|1,0,1]=4 9026 B17R1.1690 CCCC(=O)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000747444 [0,2,0,0,0,0|1,0,1]=4 9027 B17R1.1690 CCCC(=O)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000747444 [0,2,0,0,0,0|1,0,1]=4 9028 B17R1.1690 CCCC(=O)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000747444 [0,2,0,0,0,0|1,0,1]=4 9029 B17R1.1690 CCCC(=O)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000747444 [0,2,0,0,0,0|1,0,1]=4 9030 B17R1.1690 CCCC(C)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011216630 [0,2,0,0,0,0|1,0,0]=3 9031 B17R1.1690 CCCC(C)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011216630 [0,2,0,0,0,0|1,0,0]=3 9032 B17R1.1690 CCCC(C)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011216630 [0,2,0,0,0,0|1,0,0]=3 9033 B17R1.1690 CCCC(C)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011216630 [0,2,0,0,0,0|1,0,0]=3 9034 B17R1.1690 CCCC(C)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011216630 [0,2,0,0,0,0|1,0,0]=3 9035 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)Br 11a_100000741246_100016258244 [0,2,0,0,0,0|1,0,0]=3 9036 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)Br 1626a_100000741246_100016258244 [0,2,0,0,0,0|1,0,0]=3 9037 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)Br 240690a_100000741246_100016258244 [0,2,0,0,0,0|1,0,0]=3 9038 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)C 11a_100000741246_100000690095 [0,2,0,0,0,0|1,0,0]=3 9039 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)C 1626a_100000741246_100000690095 [0,2,0,0,0,0|1,0,0]=3 9040 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)C 240690a_100000741246_100000690095 [0,2,0,0,0,0|1,0,0]=3 9041 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)Cl 11a_100000741246_100000184502 [0,2,0,0,0,0|1,0,0]=3 9042 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100000741246_100000184502 [0,2,0,0,0,0|1,0,0]=3 9043 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000741246_100000184502 [0,2,0,0,0,0|1,0,0]=3 9044 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)F 11a_100000741246_100000718793 [0,2,0,0,0,0|1,0,0]=3 9045 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)F 1626a_100000741246_100000718793 [0,2,0,0,0,0|1,0,0]=3 9046 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)F 240690a_100000741246_100000718793 [0,2,0,0,0,0|1,0,0]=3 9047 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)I 11a_100000741246_100020647043 [0,2,0,0,0,0|1,0,0]=3 9048 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)I 1626a_100000741246_100020647043 [0,2,0,0,0,0|1,0,0]=3 9049 B17R1.1690 CCCC(C)NC(=O)C=Cc1cccc(c1)I 240690a_100000741246_100020647043 [0,2,0,0,0,0|1,0,0]=3 9050 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Br 11a_100000764878_100016258244 [0,2,0,0,0,0|2,0,0]=4 9051 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Br 1626a_100000764878_100016258244 [0,2,0,0,0,0|2,0,0]=4 9052 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Br 240690a_100000764878_100016258244 [0,2,0,0,0,0|2,0,0]=4 9053 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)C 11a_100000764878_100000690095 [0,2,0,0,0,0|2,0,0]=4 9054 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)C 1626a_100000764878_100000690095 [0,2,0,0,0,0|2,0,0]=4 9055 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)C 240690a_100000764878_100000690095 [0,2,0,0,0,0|2,0,0]=4 9056 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Cl 11a_100000764878_100000184502 [0,2,0,0,0,0|2,0,0]=4 9057 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100000764878_100000184502 [0,2,0,0,0,0|2,0,0]=4 9058 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000764878_100000184502 [0,2,0,0,0,0|2,0,0]=4 9059 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)F 11a_100000764878_100000718793 [0,2,0,0,0,0|2,0,0]=4 9060 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)F 1626a_100000764878_100000718793 [0,2,0,0,0,0|2,0,0]=4 9061 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)F 240690a_100000764878_100000718793 [0,2,0,0,0,0|2,0,0]=4 9062 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)I 11a_100000764878_100020647043 [0,2,0,0,0,0|2,0,0]=4 9063 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)I 1626a_100000764878_100020647043 [0,2,0,0,0,0|2,0,0]=4 9064 B17R1.1690 COC[C@@H](C)NC(=O)C=Cc1cccc(c1)I 240690a_100000764878_100020647043 [0,2,0,0,0,0|2,0,0]=4 9065 B17R1.1690 C[C@H](CCO)NC(=O)C=Cc1cccc(c1)Br 240690a_100000706166_100016258244 [0,2,0,0,0,0|2,0,0]=4 9066 B17R1.1690 C[C@H](CCO)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000706166_100000184502 [0,2,0,0,0,0|2,0,0]=4 9067 B17R1.1690 C[C@H](CCO)NC(=O)C=Cc1cccc(c1)F 240690a_100000706166_100000718793 [0,2,0,0,0,0|2,0,0]=4 9068 B17R1.1690 C[C@H](CCO)NC(=O)C=Cc1cccc(c1)I 240690a_100000706166_100020647043 [0,2,0,0,0,0|2,0,0]=4 9069 B17R1.1690 Cc1cccc(c1)C=CC(=O)N[C@H](C)CCO 240690a_100000706166_100000690095 [0,2,0,0,0,0|2,0,0]=4 9070 B17R1.3343 C#Cc1cccc(c1)NCC(=O)OCCCC 2230a_100000735509_100000211628 [0,2,0,0,0,0|1,0,1]=4 9071 B17R1.3343 C#Cc1cccc(c1)NCC(=O)OCCCC 34a_100000735509_100000211628 [0,2,0,0,0,0|1,0,1]=4 9072 B17R1.3343 C#Cc1cccc(c1)OCC(=O)OCCCC 34a_100011216014_100000211628 [0,2,0,0,0,0|1,0,1]=4 9073 B17R1.3343 C#Cc1cccc(c1)OCC(=O)OCCCC 7a_100011216014_100000211628 [0,2,0,0,0,0|1,0,1]=4 9074 B17R1.3343 C=Cc1cccc(c1)NCC(=O)OCCCC 34a_100011827668_100000211628 [0,2,0,0,0,0|1,0,1]=4 9075 B17R1.3343 C=Cc1cccc(c1)OCC(=O)OCCCC 34a_100011309434_100000211628 [0,2,0,0,0,0|1,0,1]=4 9076 B17R1.3343 C=Cc1cccc(c1)OCC(=O)OCCCC 7a_100011309434_100000211628 [0,2,0,0,0,0|1,0,1]=4 9077 B17R1.3343 C=Cc1cccc(c1)SCC(=O)OCCCC 62a_100000211628_100011215241 [0,2,0,0,0,0|1,0,1]=4 9078 B17R1.3343 C=Cc1cccc(c1)SCC(=O)OCCCC 62a_100011215241_100000211628 [0,2,0,0,0,0|1,0,1]=4 9079 B17R1.3343 CCCCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000210326 [0,2,0,0,0,0|1,0,0]=3 9080 B17R1.3343 CCCCCC(=O)C=Cc1cncc(c1)C#N 6a_100011361567_100011215151 [0,2,0,0,0,0|2,0,0]=4 9081 B17R1.3343 CCCCNC(=O)C=Cc1cccc(c1)C#N 11a_100000102301_100000738773 [0,2,0,0,0,0|1,0,0]=3 9082 B17R1.3343 CCCCNC(=O)C=Cc1cccc(c1)C#N 1626a_100000102301_100000738773 [0,2,0,0,0,0|1,0,0]=3 9083 B17R1.3343 CCCCNC(=O)C=Cc1cccc(c1)C#N 240690a_100000102301_100000738773 [0,2,0,0,0,0|1,0,0]=3 9084 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)C#N 34a_100000210922_100000211628 [0,2,0,0,0,0|1,0,1]=4 9085 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)C#N 7a_100000210922_100000211628 [0,2,0,0,0,0|1,0,1]=4 9086 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CC 2230a_100000211250_100000211628 [0,2,0,0,0,0|1,0,1]=4 9087 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CC 34a_100000211250_100000211628 [0,2,0,0,0,0|1,0,1]=4 9088 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CC 7a_100000211250_100000211628 [0,2,0,0,0,0|1,0,1]=4 9089 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CF 2230a_100000126320_100000211628 [0,2,0,0,0,0|1,0,1]=4 9090 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CF 34a_100000126320_100000211628 [0,2,0,0,0,0|1,0,1]=4 9091 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CF 7a_100000126320_100000211628 [0,2,0,0,0,0|1,0,1]=4 9092 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000211628 [0,2,0,0,0,0|1,0,1]=4 9093 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)CO 34a_100000211919_100000211628 [0,2,0,0,0,0|1,0,1]=4 9094 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)OC 34a_100000210024_100000211628 [0,2,0,0,0,0|1,0,1]=4 9095 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)SC 2230a_100000210049_100000211628 [0,2,0,0,0,0|1,0,1]=4 9096 B17R1.3343 CCCCOC(=O)CNc1cccc(c1)SC 34a_100000210049_100000211628 [0,2,0,0,0,0|1,0,1]=4 9097 B17R1.3343 CCCCOC(=O)COc1cccc(c1)C#N 34a_100000184713_100000211628 [0,2,0,0,0,0|1,0,1]=4 9098 B17R1.3343 CCCCOC(=O)COc1cccc(c1)C#N 7a_100000184713_100000211628 [0,2,0,0,0,0|1,0,1]=4 9099 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CBr 34a_100011660834_100000211628 [0,2,0,0,0,0|1,0,1]=4 9100 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CBr 7a_100011660834_100000211628 [0,2,0,0,0,0|1,0,1]=4 9101 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CC 34a_100000211550_100000211628 [0,2,0,0,0,0|1,0,1]=4 9102 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CC 7a_100000211550_100000211628 [0,2,0,0,0,0|1,0,1]=4 9103 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CCl 34a_100000084143_100000211628 [0,2,0,0,0,0|1,0,1]=4 9104 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CCl 7a_100000084143_100000211628 [0,2,0,0,0,0|1,0,1]=4 9105 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CN 34a_100000743036_100000211628 [0,2,0,0,0,0|1,0,1]=4 9106 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CO 34a_100011214949_100000211628 [0,2,0,0,0,0|1,0,1]=4 9107 B17R1.3343 CCCCOC(=O)COc1cccc(c1)CO 7a_100011214949_100000211628 [0,2,0,0,0,0|1,0,1]=4 9108 B17R1.3343 CCCCOC(=O)COc1cccc(c1)NC 34a_100000756613_100000211628 [0,2,0,0,0,0|1,0,1]=4 9109 B17R1.3343 CCCCOC(=O)COc1cccc(c1)NC 7a_100000756613_100000211628 [0,2,0,0,0,0|1,0,1]=4 9110 B17R1.3343 CCCCOC(=O)COc1cccc(c1)OC 34a_100000211255_100000211628 [0,2,0,0,0,0|1,0,1]=4 9111 B17R1.3343 CCCCOC(=O)COc1cccc(c1)OC 7a_100000211255_100000211628 [0,2,0,0,0,0|1,0,1]=4 9112 B17R1.3343 CCCCOC(=O)COc1cccc(c1)SC 34a_100011265683_100000211628 [0,2,0,0,0,0|1,0,1]=4 9113 B17R1.3343 CCCCOC(=O)COc1cccc(c1)SC 7a_100011265683_100000211628 [0,2,0,0,0,0|1,0,1]=4 9114 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)C#N 62a_100000211628_100000189340 [0,2,0,0,0,0|1,0,1]=4 9115 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)C=O 62a_100000014684_100000211628 [0,2,0,0,0,0|1,0,1]=4 9116 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)C=O 62a_100000211628_100000014684 [0,2,0,0,0,0|1,0,1]=4 9117 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CC 62a_100000211628_100011263222 [0,2,0,0,0,0|1,0,1]=4 9118 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CC 62a_100011263222_100000211628 [0,2,0,0,0,0|1,0,1]=4 9119 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CF 62a_100000211628_100010878472 [0,2,0,0,0,0|1,0,1]=4 9120 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CF 62a_100010878472_100000211628 [0,2,0,0,0,0|1,0,1]=4 9121 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CN 62a_100000106179_100000211628 [0,2,0,0,0,0|1,0,1]=4 9122 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CN 62a_100000211628_100000106179 [0,2,0,0,0,0|1,0,1]=4 9123 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CO 62a_100000211628_100000687537 [0,2,0,0,0,0|1,0,1]=4 9124 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)CO 62a_100000687537_100000211628 [0,2,0,0,0,0|1,0,1]=4 9125 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)NC 62a_100000211628_100000219648 [0,2,0,0,0,0|1,0,1]=4 9126 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)NC 62a_100000219648_100000211628 [0,2,0,0,0,0|1,0,1]=4 9127 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)NN 62a_100000211628_100000217339 [0,2,0,0,0,0|1,0,1]=4 9128 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)NN 62a_100000217339_100000211628 [0,2,0,0,0,0|1,0,1]=4 9129 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)OC 62a_100000211628_100000170001 [0,2,0,0,0,0|1,0,1]=4 9130 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)SC 62a_100000211628_100011215954 [0,2,0,0,0,0|1,0,1]=4 9131 B17R1.3343 CCCCOC(=O)CSc1cccc(c1)SC 62a_100011215954_100000211628 [0,2,0,0,0,0|1,0,1]=4 9132 B17R1.3343 CCCNNC(=O)C=Cc1cccc(c1)C#N 22a_100000740057_100000738773 [0,2,0,0,0,0|2,0,0]=4 9133 B17R1.3343 CCCNNC(=O)C=Cc1cccc(c1)OC 22a_100000740057_100000211917 [0,2,0,0,0,0|2,0,0]=4 9134 B17R1.3343 CCOCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100011215890 [0,2,0,0,0,0|2,0,0]=4 9135 B17R1.3343 CCSCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000757381 [0,2,0,0,0,0|2,0,0]=4 9136 B17R1.3343 COCCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000740836 [0,2,0,0,0,0|2,0,0]=4 9137 B17R1.3343 COCCNC(=O)C=Cc1cccc(c1)C#N 1626a_100000209980_100000738773 [0,2,0,0,0,0|2,0,0]=4 9138 B17R1.3343 COCCNC(=O)C=Cc1cccc(c1)C#N 240690a_100000209980_100000738773 [0,2,0,0,0,0|2,0,0]=4 9139 B17R1.3343 CSCCNC(=O)C=Cc1cccc(c1)C#N 11a_100020590264_100000738773 [0,2,0,0,0,0|2,0,0]=4 9140 B17R1.3343 CSCCNC(=O)C=Cc1cccc(c1)C#N 1626a_100020590264_100000738773 [0,2,0,0,0,0|2,0,0]=4 9141 B17R1.3343 CSCCNC(=O)C=Cc1cccc(c1)C#N 240690a_100020590264_100000738773 [0,2,0,0,0,0|2,0,0]=4 9142 B17R1.3343 N#Cc1cccc(c1)C=CC(=O)CCCCF 1458a_100000738773_100000729493 [0,2,0,0,0,0|2,0,0]=4 9143 B17R1.3343 N#Cc1cccc(c1)C=CC(=O)CCCCO 1458a_100000738773_100000210776 [0,2,0,0,0,0|2,0,0]=4 9144 B17R1.3343 N#Cc1cccc(c1)C=CC(=O)NCCCF 11a_100015189416_100000738773 [0,2,0,0,0,0|2,0,0]=4 9145 B17R1.3343 N#Cc1cccc(c1)C=CC(=O)NCCCF 1626a_100015189416_100000738773 [0,2,0,0,0,0|2,0,0]=4 9146 B17R1.3343 N#Cc1cccc(c1)C=CC(=O)NCCCF 240690a_100015189416_100000738773 [0,2,0,0,0,0|2,0,0]=4 9147 B17R1.3343 N#Cc1cccc(c1)C=CC(=O)NCCCO 240690a_100000182051_100000738773 [0,2,0,0,0,0|2,0,0]=4 9148 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000210326 [0,2,0,0,0,0|1,0,0]=3 9149 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100011215151 [0,2,0,0,0,0|1,0,0]=3 9150 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000210326 [0,2,0,0,0,0|1,0,0]=3 9151 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100011215151 [0,2,0,0,0,0|1,0,0]=3 9152 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000210326 [0,2,0,0,0,0|1,0,0]=3 9153 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100011215151 [0,2,0,0,0,0|1,0,0]=3 9154 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000210326 [0,2,0,0,0,0|1,0,0]=3 9155 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100011215151 [0,2,0,0,0,0|1,0,0]=3 9156 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100011215151 [0,2,0,0,0,0|1,0,0]=3 9157 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000210326 [0,2,0,0,0,0|1,0,0]=3 9158 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100011215151 [0,2,0,0,0,0|1,0,0]=3 9159 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100011215151 [0,2,0,0,0,0|1,0,0]=3 9160 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100011215151 [0,2,0,0,0,0|1,0,0]=3 9161 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100011215151 [0,2,0,0,0,0|1,0,0]=3 9162 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100011215151 [0,2,0,0,0,0|1,0,0]=3 9163 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100011215151 [0,2,0,0,0,0|1,0,0]=3 9164 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100011215151 [0,2,0,0,0,0|1,0,0]=3 9165 B17R1.6341 CCCCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100011215151 [0,2,0,0,0,0|1,0,0]=3 9166 B17R1.6341 CCCCCC(=O)C=Cc1cc(ncc1Br)I 6a_200135154921_100011215151 [0,2,0,0,0,0|2,0,0]=4 9167 B17R1.6341 CCCCCC(=O)C=Cc1cc(ncc1F)Br 6a_100000707870_100011215151 [0,2,0,0,0,0|2,0,0]=4 9168 B17R1.6341 CCCCCC(=O)C=Cc1cc(ncc1F)F 6a_100000731253_100011215151 [0,2,0,0,0,0|2,0,0]=4 9169 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1Br)F 11a_100000102301_100102525183 [0,2,0,0,0,0|1,0,0]=3 9170 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100000102301_100102525183 [0,2,0,0,0,0|1,0,0]=3 9171 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100000102301_100102525183 [0,2,0,0,0,0|1,0,0]=3 9172 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100000102301_200159324452 [0,2,0,0,0,0|1,0,0]=3 9173 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1C)C 1626a_100000102301_200016256798 [0,2,0,0,0,0|1,0,0]=3 9174 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1C)F 11a_100000102301_100102526137 [0,2,0,0,0,0|1,0,0]=3 9175 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1C)F 1626a_100000102301_100102526137 [0,2,0,0,0,0|1,0,0]=3 9176 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100000102301_100000234794 [0,2,0,0,0,0|1,0,0]=3 9177 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100000102301_100000234794 [0,2,0,0,0,0|1,0,0]=3 9178 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100000102301_100000234794 [0,2,0,0,0,0|1,0,0]=3 9179 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)Br 11a_100000102301_100000718207 [0,2,0,0,0,0|1,0,0]=3 9180 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100000102301_100000718207 [0,2,0,0,0,0|1,0,0]=3 9181 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100000102301_100000718207 [0,2,0,0,0,0|1,0,0]=3 9182 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)C 11a_100000102301_100102526132 [0,2,0,0,0,0|1,0,0]=3 9183 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)C 1626a_100000102301_100102526132 [0,2,0,0,0,0|1,0,0]=3 9184 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)C 240690a_100000102301_100102526132 [0,2,0,0,0,0|1,0,0]=3 9185 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)F 11a_100000102301_100000744626 [0,2,0,0,0,0|1,0,0]=3 9186 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)F 1626a_100000102301_100000744626 [0,2,0,0,0,0|1,0,0]=3 9187 B17R1.6341 CCCCNC(=O)C=Cc1cc(ccc1F)F 240690a_100000102301_100000744626 [0,2,0,0,0,0|1,0,0]=3 9188 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000211628 [0,2,0,0,0,0|1,0,1]=4 9189 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Br)C 34a_100000745044_100000211628 [0,2,0,0,0,0|1,0,1]=4 9190 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000211628 [0,2,0,0,0,0|1,0,1]=4 9191 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000211628 [0,2,0,0,0,0|1,0,1]=4 9192 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000211628 [0,2,0,0,0,0|1,0,1]=4 9193 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)Br 34a_100000741167_100000211628 [0,2,0,0,0,0|1,0,1]=4 9194 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)Br 7a_100000741167_100000211628 [0,2,0,0,0,0|1,0,1]=4 9195 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)C 2230a_100000185781_100000211628 [0,2,0,0,0,0|1,0,1]=4 9196 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)C 34a_100000185781_100000211628 [0,2,0,0,0,0|1,0,1]=4 9197 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)C 7a_100000185781_100000211628 [0,2,0,0,0,0|1,0,1]=4 9198 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)Cl 34a_100000211374_100000211628 [0,2,0,0,0,0|1,0,1]=4 9199 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)Cl 7a_100000211374_100000211628 [0,2,0,0,0,0|1,0,1]=4 9200 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)F 34a_100000211107_100000211628 [0,2,0,0,0,0|1,0,1]=4 9201 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)F 7a_100000211107_100000211628 [0,2,0,0,0,0|1,0,1]=4 9202 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)I 7a_100000761890_100000211628 [0,2,0,0,0,0|1,0,1]=4 9203 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1C)O 34a_100011216113_100000211628 [0,2,0,0,0,0|1,0,1]=4 9204 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000211628 [0,2,0,0,0,0|1,0,1]=4 9205 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Cl)C 34a_100011215360_100000211628 [0,2,0,0,0,0|1,0,1]=4 9206 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000211628 [0,2,0,0,0,0|1,0,1]=4 9207 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000211628 [0,2,0,0,0,0|1,0,1]=4 9208 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000211628 [0,2,0,0,0,0|1,0,1]=4 9209 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000211628 [0,2,0,0,0,0|1,0,1]=4 9210 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000211628 [0,2,0,0,0,0|1,0,1]=4 9211 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1F)C 34a_100000211285_100000211628 [0,2,0,0,0,0|1,0,1]=4 9212 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000211628 [0,2,0,0,0,0|1,0,1]=4 9213 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000211628 [0,2,0,0,0,0|1,0,1]=4 9214 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000211628 [0,2,0,0,0,0|1,0,1]=4 9215 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000211628 [0,2,0,0,0,0|1,0,1]=4 9216 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000211628 [0,2,0,0,0,0|1,0,1]=4 9217 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1I)C 34a_100011216686_100000211628 [0,2,0,0,0,0|1,0,1]=4 9218 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000211628 [0,2,0,0,0,0|1,0,1]=4 9219 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000211628 [0,2,0,0,0,0|1,0,1]=4 9220 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000211628 [0,2,0,0,0,0|1,0,1]=4 9221 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1O)C 34a_100011215204_100000211628 [0,2,0,0,0,0|1,0,1]=4 9222 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000211628 [0,2,0,0,0,0|1,0,1]=4 9223 B17R1.6341 CCCCOC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000211628 [0,2,0,0,0,0|1,0,1]=4 9224 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000211628 [0,2,0,0,0,0|1,0,1]=4 9225 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000211628 [0,2,0,0,0,0|1,0,1]=4 9226 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)C 34a_100012002257_100000211628 [0,2,0,0,0,0|1,0,1]=4 9227 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)C 7a_100012002257_100000211628 [0,2,0,0,0,0|1,0,1]=4 9228 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000211628 [0,2,0,0,0,0|1,0,1]=4 9229 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000211628 [0,2,0,0,0,0|1,0,1]=4 9230 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000211628 [0,2,0,0,0,0|1,0,1]=4 9231 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000211628 [0,2,0,0,0,0|1,0,1]=4 9232 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000211628 [0,2,0,0,0,0|1,0,1]=4 9233 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000211628 [0,2,0,0,0,0|1,0,1]=4 9234 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)Br 34a_100000685420_100000211628 [0,2,0,0,0,0|1,0,1]=4 9235 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)Br 7a_100000685420_100000211628 [0,2,0,0,0,0|1,0,1]=4 9236 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)C 34a_100000210931_100000211628 [0,2,0,0,0,0|1,0,1]=4 9237 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)C 7a_100000210931_100000211628 [0,2,0,0,0,0|1,0,1]=4 9238 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)Cl 34a_100000756515_100000211628 [0,2,0,0,0,0|1,0,1]=4 9239 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)Cl 7a_100000756515_100000211628 [0,2,0,0,0,0|1,0,1]=4 9240 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)F 34a_100000690566_100000211628 [0,2,0,0,0,0|1,0,1]=4 9241 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)F 7a_100000690566_100000211628 [0,2,0,0,0,0|1,0,1]=4 9242 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)I 7a_100000766334_100000211628 [0,2,0,0,0,0|1,0,1]=4 9243 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)N 34a_100000759471_100000211628 [0,2,0,0,0,0|1,0,1]=4 9244 B17R1.6341 CCCCOC(=O)COc1cc(ccc1C)N 7a_100000759471_100000211628 [0,2,0,0,0,0|1,0,1]=4 9245 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000211628 [0,2,0,0,0,0|1,0,1]=4 9246 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000211628 [0,2,0,0,0,0|1,0,1]=4 9247 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)C 34a_100000211493_100000211628 [0,2,0,0,0,0|1,0,1]=4 9248 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)C 7a_100000211493_100000211628 [0,2,0,0,0,0|1,0,1]=4 9249 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000211628 [0,2,0,0,0,0|1,0,1]=4 9250 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000211628 [0,2,0,0,0,0|1,0,1]=4 9251 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000211628 [0,2,0,0,0,0|1,0,1]=4 9252 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000211628 [0,2,0,0,0,0|1,0,1]=4 9253 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000211628 [0,2,0,0,0,0|1,0,1]=4 9254 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000211628 [0,2,0,0,0,0|1,0,1]=4 9255 B17R1.6341 CCCCOC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000211628 [0,2,0,0,0,0|1,0,1]=4 9256 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000211628 [0,2,0,0,0,0|1,0,1]=4 9257 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000211628 [0,2,0,0,0,0|1,0,1]=4 9258 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)C 34a_100000759540_100000211628 [0,2,0,0,0,0|1,0,1]=4 9259 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)C 7a_100000759540_100000211628 [0,2,0,0,0,0|1,0,1]=4 9260 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000211628 [0,2,0,0,0,0|1,0,1]=4 9261 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000211628 [0,2,0,0,0,0|1,0,1]=4 9262 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)F 34a_100000752141_100000211628 [0,2,0,0,0,0|1,0,1]=4 9263 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)F 7a_100000752141_100000211628 [0,2,0,0,0,0|1,0,1]=4 9264 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)I 34a_100009958187_100000211628 [0,2,0,0,0,0|1,0,1]=4 9265 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)I 7a_100009958187_100000211628 [0,2,0,0,0,0|1,0,1]=4 9266 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)N 34a_100012017398_100000211628 [0,2,0,0,0,0|1,0,1]=4 9267 B17R1.6341 CCCCOC(=O)COc1cc(ccc1F)N 7a_100012017398_100000211628 [0,2,0,0,0,0|1,0,1]=4 9268 B17R1.6341 CCCCOC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000211628 [0,2,0,0,0,0|1,0,1]=4 9269 B17R1.6341 CCCCOC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000211628 [0,2,0,0,0,0|1,0,1]=4 9270 B17R1.6341 CCCCOC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000211628 [0,2,0,0,0,0|1,0,1]=4 9271 B17R1.6341 CCCCOC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000211628 [0,2,0,0,0,0|1,0,1]=4 9272 B17R1.6341 CCCCOC(=O)COc1cc(ccc1I)F 34a_100010084537_100000211628 [0,2,0,0,0,0|1,0,1]=4 9273 B17R1.6341 CCCCOC(=O)COc1cc(ccc1I)F 7a_100010084537_100000211628 [0,2,0,0,0,0|1,0,1]=4 9274 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000211628 [0,2,0,0,0,0|1,0,1]=4 9275 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000211628 [0,2,0,0,0,0|1,0,1]=4 9276 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)C 34a_100000211527_100000211628 [0,2,0,0,0,0|1,0,1]=4 9277 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)C 7a_100000211527_100000211628 [0,2,0,0,0,0|1,0,1]=4 9278 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000211628 [0,2,0,0,0,0|1,0,1]=4 9279 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000211628 [0,2,0,0,0,0|1,0,1]=4 9280 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)F 34a_100000753323_100000211628 [0,2,0,0,0,0|1,0,1]=4 9281 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)F 7a_100000753323_100000211628 [0,2,0,0,0,0|1,0,1]=4 9282 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)I 34a_100000057187_100000211628 [0,2,0,0,0,0|1,0,1]=4 9283 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)I 7a_100000057187_100000211628 [0,2,0,0,0,0|1,0,1]=4 9284 B17R1.6341 CCCCOC(=O)COc1cc(ccc1N)N 34a_100025717382_100000211628 [0,2,0,0,0,0|1,0,1]=4 9285 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)Br 62a_100000211628_100011483371 [0,2,0,0,0,0|1,0,1]=4 9286 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)Br 62a_100011483371_100000211628 [0,2,0,0,0,0|1,0,1]=4 9287 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)C 62a_100000211628_100012353751 [0,2,0,0,0,0|1,0,1]=4 9288 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)C 62a_100012353751_100000211628 [0,2,0,0,0,0|1,0,1]=4 9289 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)Cl 62a_100000211628_100012339723 [0,2,0,0,0,0|1,0,1]=4 9290 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)Cl 62a_100012339723_100000211628 [0,2,0,0,0,0|1,0,1]=4 9291 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)F 62a_100000211628_100011217576 [0,2,0,0,0,0|1,0,1]=4 9292 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)F 62a_100011217576_100000211628 [0,2,0,0,0,0|1,0,1]=4 9293 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)N 62a_100000211628_100000750459 [0,2,0,0,0,0|1,0,1]=4 9294 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000211628 [0,2,0,0,0,0|1,0,1]=4 9295 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)O 62a_100000211628_100012339312 [0,2,0,0,0,0|1,0,1]=4 9296 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000211628 [0,2,0,0,0,0|1,0,1]=4 9297 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)Br 62a_100000211628_100011344865 [0,2,0,0,0,0|1,0,1]=4 9298 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)Br 62a_100011344865_100000211628 [0,2,0,0,0,0|1,0,1]=4 9299 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)C 62a_100000210833_100000211628 [0,2,0,0,0,0|1,0,1]=4 9300 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)C 62a_100000211628_100000210833 [0,2,0,0,0,0|1,0,1]=4 9301 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)Cl 62a_100000211628_100011263213 [0,2,0,0,0,0|1,0,1]=4 9302 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)Cl 62a_100011263213_100000211628 [0,2,0,0,0,0|1,0,1]=4 9303 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)F 62a_100000211628_100011218078 [0,2,0,0,0,0|1,0,1]=4 9304 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)F 62a_100011218078_100000211628 [0,2,0,0,0,0|1,0,1]=4 9305 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)N 62a_100000211628_100000736455 [0,2,0,0,0,0|1,0,1]=4 9306 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)N 62a_100000736455_100000211628 [0,2,0,0,0,0|1,0,1]=4 9307 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)O 62a_100000211628_100011380479 [0,2,0,0,0,0|1,0,1]=4 9308 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1C)O 62a_100011380479_100000211628 [0,2,0,0,0,0|1,0,1]=4 9309 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)Br 62a_100000211628_100011772130 [0,2,0,0,0,0|1,0,1]=4 9310 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)Br 62a_100011772130_100000211628 [0,2,0,0,0,0|1,0,1]=4 9311 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)C 62a_100000211628_100012356289 [0,2,0,0,0,0|1,0,1]=4 9312 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)C 62a_100012356289_100000211628 [0,2,0,0,0,0|1,0,1]=4 9313 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)Cl 62a_100000211628_100000707729 [0,2,0,0,0,0|1,0,1]=4 9314 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000211628 [0,2,0,0,0,0|1,0,1]=4 9315 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)F 62a_100000211628_100011217299 [0,2,0,0,0,0|1,0,1]=4 9316 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)F 62a_100011217299_100000211628 [0,2,0,0,0,0|1,0,1]=4 9317 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)N 62a_100000211628_100012360549 [0,2,0,0,0,0|1,0,1]=4 9318 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000211628 [0,2,0,0,0,0|1,0,1]=4 9319 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000211628 [0,2,0,0,0,0|1,0,1]=4 9320 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1Cl)O 62a_100000211628_100000049588 [0,2,0,0,0,0|1,0,1]=4 9321 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)Br 62a_100000211628_100011217312 [0,2,0,0,0,0|1,0,1]=4 9322 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)Br 62a_100011217312_100000211628 [0,2,0,0,0,0|1,0,1]=4 9323 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)C 62a_100000211628_100000736223 [0,2,0,0,0,0|1,0,1]=4 9324 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)C 62a_100000736223_100000211628 [0,2,0,0,0,0|1,0,1]=4 9325 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)Cl 62a_100000211628_100011218116 [0,2,0,0,0,0|1,0,1]=4 9326 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)Cl 62a_100011218116_100000211628 [0,2,0,0,0,0|1,0,1]=4 9327 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)F 62a_100000211628_100011219198 [0,2,0,0,0,0|1,0,1]=4 9328 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)F 62a_100011219198_100000211628 [0,2,0,0,0,0|1,0,1]=4 9329 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)N 62a_100000211628_100000760356 [0,2,0,0,0,0|1,0,1]=4 9330 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000211628 [0,2,0,0,0,0|1,0,1]=4 9331 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)O 62a_100000211628_100000693481 [0,2,0,0,0,0|1,0,1]=4 9332 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000211628 [0,2,0,0,0,0|1,0,1]=4 9333 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)Br 62a_100000187925_100000211628 [0,2,0,0,0,0|1,0,1]=4 9334 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)Br 62a_100000211628_100000187925 [0,2,0,0,0,0|1,0,1]=4 9335 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)C 62a_100000211628_100011356834 [0,2,0,0,0,0|1,0,1]=4 9336 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)C 62a_100011356834_100000211628 [0,2,0,0,0,0|1,0,1]=4 9337 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)Cl 62a_100000211628_100000761889 [0,2,0,0,0,0|1,0,1]=4 9338 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)Cl 62a_100000761889_100000211628 [0,2,0,0,0,0|1,0,1]=4 9339 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)F 62a_100000211628_100000760547 [0,2,0,0,0,0|1,0,1]=4 9340 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)F 62a_100000760547_100000211628 [0,2,0,0,0,0|1,0,1]=4 9341 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)N 62a_100000211628_100011534242 [0,2,0,0,0,0|1,0,1]=4 9342 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000211628 [0,2,0,0,0,0|1,0,1]=4 9343 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)O 62a_100000211628_100012001276 [0,2,0,0,0,0|1,0,1]=4 9344 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000211628 [0,2,0,0,0,0|1,0,1]=4 9345 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)Br 62a_100000211628_100012355227 [0,2,0,0,0,0|1,0,1]=4 9346 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000211628 [0,2,0,0,0,0|1,0,1]=4 9347 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)C 62a_100000211628_100000765521 [0,2,0,0,0,0|1,0,1]=4 9348 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000211628 [0,2,0,0,0,0|1,0,1]=4 9349 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)Cl 62a_100000211628_100011356953 [0,2,0,0,0,0|1,0,1]=4 9350 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000211628 [0,2,0,0,0,0|1,0,1]=4 9351 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)F 62a_100000211628_100000211999 [0,2,0,0,0,0|1,0,1]=4 9352 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000211628 [0,2,0,0,0,0|1,0,1]=4 9353 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)N 62a_100000211628_100011534360 [0,2,0,0,0,0|1,0,1]=4 9354 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000211628 [0,2,0,0,0,0|1,0,1]=4 9355 B17R1.6341 CCCCOC(=O)CSc1cc(ccc1O)O 62a_100000211628_100009813629 [0,2,0,0,0,0|1,0,1]=4 9356 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1Br)F 22a_100000740057_100102525183 [0,2,0,0,0,0|2,0,0]=4 9357 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1Br)O 22a_100000740057_200159324452 [0,2,0,0,0,0|2,0,0]=4 9358 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1C)C 22a_100000740057_200016256798 [0,2,0,0,0,0|2,0,0]=4 9359 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1C)F 22a_100000740057_100102526137 [0,2,0,0,0,0|2,0,0]=4 9360 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1Cl)Cl 22a_100000740057_100000234794 [0,2,0,0,0,0|2,0,0]=4 9361 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1F)Br 22a_100000740057_100000718207 [0,2,0,0,0,0|2,0,0]=4 9362 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1F)C 22a_100000740057_100102526132 [0,2,0,0,0,0|2,0,0]=4 9363 B17R1.6341 CCCNNC(=O)C=Cc1cc(ccc1F)F 22a_100000740057_100000744626 [0,2,0,0,0,0|2,0,0]=4 9364 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100010632825 [0,2,0,0,0,0|2,0,0]=4 9365 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100010632825 [0,2,0,0,0,0|2,0,0]=4 9366 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100010632825 [0,2,0,0,0,0|2,0,0]=4 9367 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100010632825 [0,2,0,0,0,0|2,0,0]=4 9368 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100010632825 [0,2,0,0,0,0|2,0,0]=4 9369 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100010632825 [0,2,0,0,0,0|2,0,0]=4 9370 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100010632825 [0,2,0,0,0,0|2,0,0]=4 9371 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100010632825 [0,2,0,0,0,0|2,0,0]=4 9372 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100010632825 [0,2,0,0,0,0|2,0,0]=4 9373 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100010632825 [0,2,0,0,0,0|2,0,0]=4 9374 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100010632825 [0,2,0,0,0,0|2,0,0]=4 9375 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100010632825 [0,2,0,0,0,0|2,0,0]=4 9376 B17R1.6341 CCCOCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100010632825 [0,2,0,0,0,0|2,0,0]=4 9377 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100011343953 [0,2,0,0,0,0|2,0,0]=4 9378 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100011343953 [0,2,0,0,0,0|2,0,0]=4 9379 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100011343953 [0,2,0,0,0,0|2,0,0]=4 9380 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100011343953 [0,2,0,0,0,0|2,0,0]=4 9381 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100011343953 [0,2,0,0,0,0|2,0,0]=4 9382 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100011343953 [0,2,0,0,0,0|2,0,0]=4 9383 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100011343953 [0,2,0,0,0,0|2,0,0]=4 9384 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100011343953 [0,2,0,0,0,0|2,0,0]=4 9385 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100011343953 [0,2,0,0,0,0|2,0,0]=4 9386 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100011343953 [0,2,0,0,0,0|2,0,0]=4 9387 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100011343953 [0,2,0,0,0,0|2,0,0]=4 9388 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100011343953 [0,2,0,0,0,0|2,0,0]=4 9389 B17R1.6341 CCCSCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100011343953 [0,2,0,0,0,0|2,0,0]=4 9390 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100011215890 [0,2,0,0,0,0|2,0,0]=4 9391 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_200011216536 [0,2,0,0,0,0|2,0,0]=4 9392 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100011215890 [0,2,0,0,0,0|2,0,0]=4 9393 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_200011216536 [0,2,0,0,0,0|2,0,0]=4 9394 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100011215890 [0,2,0,0,0,0|2,0,0]=4 9395 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_200011216536 [0,2,0,0,0,0|2,0,0]=4 9396 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100011215890 [0,2,0,0,0,0|2,0,0]=4 9397 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_200011216536 [0,2,0,0,0,0|2,0,0]=4 9398 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_200011216536 [0,2,0,0,0,0|2,0,0]=4 9399 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100011215890 [0,2,0,0,0,0|2,0,0]=4 9400 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_200011216536 [0,2,0,0,0,0|2,0,0]=4 9401 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_200011216536 [0,2,0,0,0,0|2,0,0]=4 9402 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_200011216536 [0,2,0,0,0,0|2,0,0]=4 9403 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_200011216536 [0,2,0,0,0,0|2,0,0]=4 9404 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_200011216536 [0,2,0,0,0,0|2,0,0]=4 9405 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_200011216536 [0,2,0,0,0,0|2,0,0]=4 9406 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_200011216536 [0,2,0,0,0,0|2,0,0]=4 9407 B17R1.6341 CCOCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_200011216536 [0,2,0,0,0,0|2,0,0]=4 9408 B17R1.6341 CCSCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000757381 [0,2,0,0,0,0|2,0,0]=4 9409 B17R1.6341 CCSCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000757381 [0,2,0,0,0,0|2,0,0]=4 9410 B17R1.6341 CCSCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000757381 [0,2,0,0,0,0|2,0,0]=4 9411 B17R1.6341 CCSCCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000757381 [0,2,0,0,0,0|2,0,0]=4 9412 B17R1.6341 CCSCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000757381 [0,2,0,0,0,0|2,0,0]=4 9413 B17R1.6341 COCCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000740836 [0,2,0,0,0,0|2,0,0]=4 9414 B17R1.6341 COCCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000740836 [0,2,0,0,0,0|2,0,0]=4 9415 B17R1.6341 COCCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000740836 [0,2,0,0,0,0|2,0,0]=4 9416 B17R1.6341 COCCCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000740836 [0,2,0,0,0,0|2,0,0]=4 9417 B17R1.6341 COCCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000740836 [0,2,0,0,0,0|2,0,0]=4 9418 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100000209980_100102525183 [0,2,0,0,0,0|2,0,0]=4 9419 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100000209980_100102525183 [0,2,0,0,0,0|2,0,0]=4 9420 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100000209980_200159324452 [0,2,0,0,0,0|2,0,0]=4 9421 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1C)C 1626a_100000209980_200016256798 [0,2,0,0,0,0|2,0,0]=4 9422 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1C)F 1626a_100000209980_100102526137 [0,2,0,0,0,0|2,0,0]=4 9423 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100000209980_100000234794 [0,2,0,0,0,0|2,0,0]=4 9424 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100000209980_100000234794 [0,2,0,0,0,0|2,0,0]=4 9425 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100000209980_100000718207 [0,2,0,0,0,0|2,0,0]=4 9426 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100000209980_100000718207 [0,2,0,0,0,0|2,0,0]=4 9427 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1F)C 1626a_100000209980_100102526132 [0,2,0,0,0,0|2,0,0]=4 9428 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1F)C 240690a_100000209980_100102526132 [0,2,0,0,0,0|2,0,0]=4 9429 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1F)F 1626a_100000209980_100000744626 [0,2,0,0,0,0|2,0,0]=4 9430 B17R1.6341 COCCNC(=O)C=Cc1cc(ccc1F)F 240690a_100000209980_100000744626 [0,2,0,0,0,0|2,0,0]=4 9431 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100011399439 [0,2,0,0,0,0|2,0,0]=4 9432 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100011399439 [0,2,0,0,0,0|2,0,0]=4 9433 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100011399439 [0,2,0,0,0,0|2,0,0]=4 9434 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100011399439 [0,2,0,0,0,0|2,0,0]=4 9435 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100011399439 [0,2,0,0,0,0|2,0,0]=4 9436 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100011399439 [0,2,0,0,0,0|2,0,0]=4 9437 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100011399439 [0,2,0,0,0,0|2,0,0]=4 9438 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100011399439 [0,2,0,0,0,0|2,0,0]=4 9439 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100011399439 [0,2,0,0,0,0|2,0,0]=4 9440 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100011399439 [0,2,0,0,0,0|2,0,0]=4 9441 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100011399439 [0,2,0,0,0,0|2,0,0]=4 9442 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100011399439 [0,2,0,0,0,0|2,0,0]=4 9443 B17R1.6341 CSCCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100011399439 [0,2,0,0,0,0|2,0,0]=4 9444 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1Br)F 11a_100020590264_100102525183 [0,2,0,0,0,0|2,0,0]=4 9445 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100020590264_100102525183 [0,2,0,0,0,0|2,0,0]=4 9446 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100020590264_100102525183 [0,2,0,0,0,0|2,0,0]=4 9447 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100020590264_200159324452 [0,2,0,0,0,0|2,0,0]=4 9448 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1C)C 1626a_100020590264_200016256798 [0,2,0,0,0,0|2,0,0]=4 9449 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1C)F 11a_100020590264_100102526137 [0,2,0,0,0,0|2,0,0]=4 9450 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1C)F 1626a_100020590264_100102526137 [0,2,0,0,0,0|2,0,0]=4 9451 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100020590264_100000234794 [0,2,0,0,0,0|2,0,0]=4 9452 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100020590264_100000234794 [0,2,0,0,0,0|2,0,0]=4 9453 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100020590264_100000234794 [0,2,0,0,0,0|2,0,0]=4 9454 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)Br 11a_100020590264_100000718207 [0,2,0,0,0,0|2,0,0]=4 9455 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100020590264_100000718207 [0,2,0,0,0,0|2,0,0]=4 9456 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100020590264_100000718207 [0,2,0,0,0,0|2,0,0]=4 9457 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)C 11a_100020590264_100102526132 [0,2,0,0,0,0|2,0,0]=4 9458 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)C 1626a_100020590264_100102526132 [0,2,0,0,0,0|2,0,0]=4 9459 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)C 240690a_100020590264_100102526132 [0,2,0,0,0,0|2,0,0]=4 9460 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)F 11a_100020590264_100000744626 [0,2,0,0,0,0|2,0,0]=4 9461 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)F 1626a_100020590264_100000744626 [0,2,0,0,0,0|2,0,0]=4 9462 B17R1.6341 CSCCNC(=O)C=Cc1cc(ccc1F)F 240690a_100020590264_100000744626 [0,2,0,0,0,0|2,0,0]=4 9463 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)CCCCBr)F 6a_100000756917_100009817362 [0,2,0,0,0,0|2,0,0]=4 9464 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)CCCCBr)I 6a_100010150105_100009817362 [0,2,0,0,0,0|2,0,0]=4 9465 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)CCCCCl)F 6a_100000756917_100000735457 [0,2,0,0,0,0|2,0,0]=4 9466 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)CCCCCl)I 6a_100010150105_100000735457 [0,2,0,0,0,0|2,0,0]=4 9467 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)CCCCF)F 1458a_100102526132_100000729493 [0,2,0,0,0,0|2,0,0]=4 9468 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)CCCCO)F 1458a_100102526132_100000210776 [0,2,0,0,0,0|2,0,0]=4 9469 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)NCCCF)C 1626a_100015189416_200016256798 [0,2,0,0,0,0|2,0,0]=4 9470 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)NCCCF)F 11a_100015189416_100102526132 [0,2,0,0,0,0|2,0,0]=4 9471 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)NCCCF)F 1626a_100015189416_100102526132 [0,2,0,0,0,0|2,0,0]=4 9472 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)NCCCF)F 240690a_100015189416_100102526132 [0,2,0,0,0,0|2,0,0]=4 9473 B17R1.6341 Cc1ccc(c(c1)C=CC(=O)NCCCO)F 240690a_100000182051_100102526132 [0,2,0,0,0,0|2,0,0]=4 9474 B17R1.6341 Cc1ccc(cc1C=CC(=O)NCCCF)F 11a_100015189416_100102526137 [0,2,0,0,0,0|2,0,0]=4 9475 B17R1.6341 Cc1ccc(cc1C=CC(=O)NCCCF)F 1626a_100015189416_100102526137 [0,2,0,0,0,0|2,0,0]=4 9476 B17R1.6341 O=C(C=Cc1cc(ccc1Br)F)CCCCF 1458a_100102525183_100000729493 [0,2,0,0,0,0|2,0,0]=4 9477 B17R1.6341 O=C(C=Cc1cc(ccc1Br)F)CCCCO 1458a_100102525183_100000210776 [0,2,0,0,0,0|2,0,0]=4 9478 B17R1.6341 O=C(C=Cc1cc(ccc1Br)F)NCCCF 11a_100015189416_100102525183 [0,2,0,0,0,0|2,0,0]=4 9479 B17R1.6341 O=C(C=Cc1cc(ccc1Br)F)NCCCF 1626a_100015189416_100102525183 [0,2,0,0,0,0|2,0,0]=4 9480 B17R1.6341 O=C(C=Cc1cc(ccc1Br)F)NCCCF 240690a_100015189416_100102525183 [0,2,0,0,0,0|2,0,0]=4 9481 B17R1.6341 O=C(C=Cc1cc(ccc1Br)F)NCCCO 240690a_100000182051_100102525183 [0,2,0,0,0,0|2,0,0]=4 9482 B17R1.6341 O=C(C=Cc1cc(ccc1Br)I)CCCCBr 6a_100010185652_100009817362 [0,2,0,0,0,0|2,0,0]=4 9483 B17R1.6341 O=C(C=Cc1cc(ccc1Br)I)CCCCCl 6a_100010185652_100000735457 [0,2,0,0,0,0|2,0,0]=4 9484 B17R1.6341 O=C(C=Cc1cc(ccc1Br)O)NCCCF 240690a_100015189416_200159324452 [0,2,0,0,0,0|2,0,0]=4 9485 B17R1.6341 O=C(C=Cc1cc(ccc1Br)O)NCCCO 240690a_100000182051_200159324452 [0,2,0,0,0,0|2,0,0]=4 9486 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)Cl)CCCCF 1458a_100000234794_100000729493 [0,2,0,0,0,0|2,0,0]=4 9487 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)Cl)CCCCO 1458a_100000234794_100000210776 [0,2,0,0,0,0|2,0,0]=4 9488 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)Cl)NCCCF 11a_100015189416_100000234794 [0,2,0,0,0,0|2,0,0]=4 9489 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)Cl)NCCCF 1626a_100015189416_100000234794 [0,2,0,0,0,0|2,0,0]=4 9490 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)Cl)NCCCF 240690a_100015189416_100000234794 [0,2,0,0,0,0|2,0,0]=4 9491 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)Cl)NCCCO 240690a_100000182051_100000234794 [0,2,0,0,0,0|2,0,0]=4 9492 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)I)CCCCBr 6a_100010254384_100009817362 [0,2,0,0,0,0|2,0,0]=4 9493 B17R1.6341 O=C(C=Cc1cc(ccc1Cl)I)CCCCCl 6a_100010254384_100000735457 [0,2,0,0,0,0|2,0,0]=4 9494 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)CCCCBr 6a_100000211465_100009817362 [0,2,0,0,0,0|2,0,0]=4 9495 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)CCCCCl 6a_100000211465_100000735457 [0,2,0,0,0,0|2,0,0]=4 9496 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)CCCCF 1458a_100000718207_100000729493 [0,2,0,0,0,0|2,0,0]=4 9497 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)CCCCO 1458a_100000718207_100000210776 [0,2,0,0,0,0|2,0,0]=4 9498 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)NCCCF 11a_100015189416_100000718207 [0,2,0,0,0,0|2,0,0]=4 9499 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)NCCCF 1626a_100015189416_100000718207 [0,2,0,0,0,0|2,0,0]=4 9500 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)NCCCF 240690a_100015189416_100000718207 [0,2,0,0,0,0|2,0,0]=4 9501 B17R1.6341 O=C(C=Cc1cc(ccc1F)Br)NCCCO 240690a_100000182051_100000718207 [0,2,0,0,0,0|2,0,0]=4 9502 B17R1.6341 O=C(C=Cc1cc(ccc1F)Cl)CCCCBr 6a_100000745245_100009817362 [0,2,0,0,0,0|2,0,0]=4 9503 B17R1.6341 O=C(C=Cc1cc(ccc1F)Cl)CCCCCl 6a_100000745245_100000735457 [0,2,0,0,0,0|2,0,0]=4 9504 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)CCCCBr 6a_100000740046_100009817362 [0,2,0,0,0,0|2,0,0]=4 9505 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)CCCCCl 6a_100000740046_100000735457 [0,2,0,0,0,0|2,0,0]=4 9506 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)CCCCF 1458a_100000744626_100000729493 [0,2,0,0,0,0|2,0,0]=4 9507 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)CCCCO 1458a_100000744626_100000210776 [0,2,0,0,0,0|2,0,0]=4 9508 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)NCCCF 11a_100015189416_100000744626 [0,2,0,0,0,0|2,0,0]=4 9509 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)NCCCF 1626a_100015189416_100000744626 [0,2,0,0,0,0|2,0,0]=4 9510 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)NCCCF 240690a_100015189416_100000744626 [0,2,0,0,0,0|2,0,0]=4 9511 B17R1.6341 O=C(C=Cc1cc(ccc1F)F)NCCCO 240690a_100000182051_100000744626 [0,2,0,0,0,0|2,0,0]=4 9512 B17R1.6341 O=C(C=Cc1cc(ccc1F)I)CCCCBr 6a_100000050626_100009817362 [0,2,0,0,0,0|2,0,0]=4 9513 B17R1.6341 O=C(C=Cc1cc(ccc1F)I)CCCCCl 6a_100000050626_100000735457 [0,2,0,0,0,0|2,0,0]=4 9514 B17R1.6341 O=C(C=Cc1cc(ccc1I)Br)CCCCBr 6a_100010185651_100009817362 [0,2,0,0,0,0|2,0,0]=4 9515 B17R1.6341 O=C(C=Cc1cc(ccc1I)Br)CCCCCl 6a_100010185651_100000735457 [0,2,0,0,0,0|2,0,0]=4 9516 B17R1.6341 O=C(C=Cc1cc(ccc1I)Cl)CCCCBr 6a_100010254386_100009817362 [0,2,0,0,0,0|2,0,0]=4 9517 B17R1.6341 O=C(C=Cc1cc(ccc1I)Cl)CCCCCl 6a_100010254386_100000735457 [0,2,0,0,0,0|2,0,0]=4 9518 B17R1.6341 O=C(C=Cc1cc(ccc1I)F)CCCCBr 6a_100010186294_100009817362 [0,2,0,0,0,0|2,0,0]=4 9519 B17R1.6341 O=C(C=Cc1cc(ccc1I)F)CCCCCl 6a_100010186294_100000735457 [0,2,0,0,0,0|2,0,0]=4 9520 B17R1.6341 O=C(C=Cc1cc(ccc1I)O)CCCCBr 6a_100000069132_100009817362 [0,2,0,0,0,0|2,0,0]=4 9521 B17R1.6341 O=C(C=Cc1cc(ccc1I)O)CCCCCl 6a_100000069132_100000735457 [0,2,0,0,0,0|2,0,0]=4 9522 B17R1.6341 O=C(C=Cc1cc(ccc1O)I)CCCCBr 6a_100011215628_100009817362 [0,2,0,0,0,0|2,0,0]=4 9523 B17R1.6341 O=C(C=Cc1cc(ccc1O)I)CCCCCl 6a_100011215628_100000735457 [0,2,0,0,0,0|2,0,0]=4 9524 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100011215151 [0,2,0,0,0,0|1,0,0]=3 9525 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100011215151 [0,2,0,0,0,0|1,0,0]=3 9526 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100011215151 [0,2,0,0,0,0|1,0,0]=3 9527 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100011215151 [0,2,0,0,0,0|1,0,0]=3 9528 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100011215151 [0,2,0,0,0,0|1,0,0]=3 9529 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100000210326 [0,2,0,0,0,0|1,0,0]=3 9530 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100011215151 [0,2,0,0,0,0|1,0,0]=3 9531 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100011215151 [0,2,0,0,0,0|1,0,0]=3 9532 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000210326 [0,2,0,0,0,0|1,0,0]=3 9533 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100011215151 [0,2,0,0,0,0|1,0,0]=3 9534 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000210326 [0,2,0,0,0,0|1,0,0]=3 9535 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100011215151 [0,2,0,0,0,0|1,0,0]=3 9536 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100011215151 [0,2,0,0,0,0|1,0,0]=3 9537 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100000210326 [0,2,0,0,0,0|1,0,0]=3 9538 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100011215151 [0,2,0,0,0,0|1,0,0]=3 9539 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000210326 [0,2,0,0,0,0|1,0,0]=3 9540 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100011215151 [0,2,0,0,0,0|1,0,0]=3 9541 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100011215151 [0,2,0,0,0,0|1,0,0]=3 9542 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100011215151 [0,2,0,0,0,0|1,0,0]=3 9543 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100011215151 [0,2,0,0,0,0|1,0,0]=3 9544 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100011215151 [0,2,0,0,0,0|1,0,0]=3 9545 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100011215151 [0,2,0,0,0,0|1,0,0]=3 9546 B17R1.6343 CCCCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100011215151 [0,2,0,0,0,0|1,0,0]=3 9547 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)C)C 11a_100000102301_100016257640 [0,2,0,0,0,0|1,0,0]=3 9548 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100000102301_100016257640 [0,2,0,0,0,0|1,0,0]=3 9549 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100000102301_100016257640 [0,2,0,0,0,0|1,0,0]=3 9550 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100000102301_100000234795 [0,2,0,0,0,0|1,0,0]=3 9551 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100000102301_100000234795 [0,2,0,0,0,0|1,0,0]=3 9552 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100000102301_100000234795 [0,2,0,0,0,0|1,0,0]=3 9553 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100000102301_100012349021 [0,2,0,0,0,0|1,0,0]=3 9554 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100000102301_100012349021 [0,2,0,0,0,0|1,0,0]=3 9555 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100000102301_100012349021 [0,2,0,0,0,0|1,0,0]=3 9556 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)C 11a_100000102301_100102526130 [0,2,0,0,0,0|1,0,0]=3 9557 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100000102301_100102526130 [0,2,0,0,0,0|1,0,0]=3 9558 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100000102301_100102526130 [0,2,0,0,0,0|1,0,0]=3 9559 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)F 11a_100000102301_100015207409 [0,2,0,0,0,0|1,0,0]=3 9560 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100000102301_100015207409 [0,2,0,0,0,0|1,0,0]=3 9561 B17R1.6343 CCCCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100000102301_100015207409 [0,2,0,0,0,0|1,0,0]=3 9562 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000211628 [0,2,0,0,0,0|1,0,1]=4 9563 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000211628 [0,2,0,0,0,0|1,0,1]=4 9564 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)C 34a_100000695972_100000211628 [0,2,0,0,0,0|1,0,1]=4 9565 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)C 7a_100000695972_100000211628 [0,2,0,0,0,0|1,0,1]=4 9566 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000211628 [0,2,0,0,0,0|1,0,1]=4 9567 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000211628 [0,2,0,0,0,0|1,0,1]=4 9568 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)F 34a_100000705686_100000211628 [0,2,0,0,0,0|1,0,1]=4 9569 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Br)F 7a_100000705686_100000211628 [0,2,0,0,0,0|1,0,1]=4 9570 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)C)C 2230a_100000210930_100000211628 [0,2,0,0,0,0|1,0,1]=4 9571 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)C)C 34a_100000210930_100000211628 [0,2,0,0,0,0|1,0,1]=4 9572 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)C)C 7a_100000210930_100000211628 [0,2,0,0,0,0|1,0,1]=4 9573 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)C 2230a_100012022512_100000211628 [0,2,0,0,0,0|1,0,1]=4 9574 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)C 34a_100012022512_100000211628 [0,2,0,0,0,0|1,0,1]=4 9575 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)C 7a_100012022512_100000211628 [0,2,0,0,0,0|1,0,1]=4 9576 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000211628 [0,2,0,0,0,0|1,0,1]=4 9577 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000211628 [0,2,0,0,0,0|1,0,1]=4 9578 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)F 34a_100000686136_100000211628 [0,2,0,0,0,0|1,0,1]=4 9579 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000211628 [0,2,0,0,0,0|1,0,1]=4 9580 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000211628 [0,2,0,0,0,0|1,0,1]=4 9581 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000211628 [0,2,0,0,0,0|1,0,1]=4 9582 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)F)C 2230a_100000742734_100000211628 [0,2,0,0,0,0|1,0,1]=4 9583 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)F)C 34a_100000742734_100000211628 [0,2,0,0,0,0|1,0,1]=4 9584 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)F)C 7a_100000742734_100000211628 [0,2,0,0,0,0|1,0,1]=4 9585 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)F)F 34a_100000233717_100000211628 [0,2,0,0,0,0|1,0,1]=4 9586 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)F)F 7a_100000233717_100000211628 [0,2,0,0,0,0|1,0,1]=4 9587 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)I)Br 7a_100009814763_100000211628 [0,2,0,0,0,0|1,0,1]=4 9588 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000211628 [0,2,0,0,0,0|1,0,1]=4 9589 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)I)F 34a_100011356972_100000211628 [0,2,0,0,0,0|1,0,1]=4 9590 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)I)F 7a_100011356972_100000211628 [0,2,0,0,0,0|1,0,1]=4 9591 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)I)I 7a_200000696836_100000211628 [0,2,0,0,0,0|1,0,1]=4 9592 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)O)C 34a_100011995906_100000211628 [0,2,0,0,0,0|1,0,1]=4 9593 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)O)C 7a_100011995906_100000211628 [0,2,0,0,0,0|1,0,1]=4 9594 B17R1.6343 CCCCOC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000211628 [0,2,0,0,0,0|1,0,1]=4 9595 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)Br 34a_100010167048_100000211628 [0,2,0,0,0,0|1,0,1]=4 9596 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)Br 7a_100010167048_100000211628 [0,2,0,0,0,0|1,0,1]=4 9597 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)C 34a_100011999630_100000211628 [0,2,0,0,0,0|1,0,1]=4 9598 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)C 7a_100011999630_100000211628 [0,2,0,0,0,0|1,0,1]=4 9599 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000211628 [0,2,0,0,0,0|1,0,1]=4 9600 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000211628 [0,2,0,0,0,0|1,0,1]=4 9601 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)F 34a_100000688818_100000211628 [0,2,0,0,0,0|1,0,1]=4 9602 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Br)F 7a_100000688818_100000211628 [0,2,0,0,0,0|1,0,1]=4 9603 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)C)C 34a_100000210933_100000211628 [0,2,0,0,0,0|1,0,1]=4 9604 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)C)C 7a_100000210933_100000211628 [0,2,0,0,0,0|1,0,1]=4 9605 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)C 34a_100000087485_100000211628 [0,2,0,0,0,0|1,0,1]=4 9606 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)C 7a_100000087485_100000211628 [0,2,0,0,0,0|1,0,1]=4 9607 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000211628 [0,2,0,0,0,0|1,0,1]=4 9608 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000211628 [0,2,0,0,0,0|1,0,1]=4 9609 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)F 34a_100011219751_100000211628 [0,2,0,0,0,0|1,0,1]=4 9610 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)F 7a_100011219751_100000211628 [0,2,0,0,0,0|1,0,1]=4 9611 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)N 34a_100000123917_100000211628 [0,2,0,0,0,0|1,0,1]=4 9612 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)Cl)N 7a_100000123917_100000211628 [0,2,0,0,0,0|1,0,1]=4 9613 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)F)C 34a_100011830401_100000211628 [0,2,0,0,0,0|1,0,1]=4 9614 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)F)C 7a_100011830401_100000211628 [0,2,0,0,0,0|1,0,1]=4 9615 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)F)F 34a_100000747503_100000211628 [0,2,0,0,0,0|1,0,1]=4 9616 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)F)F 7a_100000747503_100000211628 [0,2,0,0,0,0|1,0,1]=4 9617 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)I)Br 34a_100010068917_100000211628 [0,2,0,0,0,0|1,0,1]=4 9618 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)I)Br 7a_100010068917_100000211628 [0,2,0,0,0,0|1,0,1]=4 9619 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)I)Cl 34a_100010068924_100000211628 [0,2,0,0,0,0|1,0,1]=4 9620 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)I)Cl 7a_100010068924_100000211628 [0,2,0,0,0,0|1,0,1]=4 9621 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)I)F 34a_100000717995_100000211628 [0,2,0,0,0,0|1,0,1]=4 9622 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)I)F 7a_100000717995_100000211628 [0,2,0,0,0,0|1,0,1]=4 9623 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)N)C 34a_100011995906_100000211628 [0,2,0,0,0,0|1,0,1]=4 9624 B17R1.6343 CCCCOC(=O)COc1cc(cc(c1)N)C 7a_100011995906_100000211628 [0,2,0,0,0,0|1,0,1]=4 9625 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)Br 62a_100000211628_100009814770 [0,2,0,0,0,0|1,0,1]=4 9626 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000211628 [0,2,0,0,0,0|1,0,1]=4 9627 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)Cl 62a_100000211628_100009814755 [0,2,0,0,0,0|1,0,1]=4 9628 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000211628 [0,2,0,0,0,0|1,0,1]=4 9629 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)F 62a_100000211628_100009814764 [0,2,0,0,0,0|1,0,1]=4 9630 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)F 62a_100009814764_100000211628 [0,2,0,0,0,0|1,0,1]=4 9631 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)N 62a_100000211628_100009814763 [0,2,0,0,0,0|1,0,1]=4 9632 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)N 62a_100009814763_100000211628 [0,2,0,0,0,0|1,0,1]=4 9633 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)O 62a_100000211628_100010068917 [0,2,0,0,0,0|1,0,1]=4 9634 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Br)O 62a_100010068917_100000211628 [0,2,0,0,0,0|1,0,1]=4 9635 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)C)C 62a_100000211628_100011215608 [0,2,0,0,0,0|1,0,1]=4 9636 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)C)C 62a_100011215608_100000211628 [0,2,0,0,0,0|1,0,1]=4 9637 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)C 62a_100000211628_100010172791 [0,2,0,0,0,0|1,0,1]=4 9638 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)C 62a_100010172791_100000211628 [0,2,0,0,0,0|1,0,1]=4 9639 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000211628_100000747138 [0,2,0,0,0,0|1,0,1]=4 9640 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000211628 [0,2,0,0,0,0|1,0,1]=4 9641 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)F 62a_100000211628_100013859453 [0,2,0,0,0,0|1,0,1]=4 9642 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000211628 [0,2,0,0,0,0|1,0,1]=4 9643 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)N 62a_100000211628_100010147676 [0,2,0,0,0,0|1,0,1]=4 9644 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000211628 [0,2,0,0,0,0|1,0,1]=4 9645 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100000211628_100010068924 [0,2,0,0,0,0|1,0,1]=4 9646 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000211628 [0,2,0,0,0,0|1,0,1]=4 9647 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)C 62a_100000211628_100011356977 [0,2,0,0,0,0|1,0,1]=4 9648 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)C 62a_100011356977_100000211628 [0,2,0,0,0,0|1,0,1]=4 9649 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)F 62a_100000211628_100000233788 [0,2,0,0,0,0|1,0,1]=4 9650 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)F 62a_100000233788_100000211628 [0,2,0,0,0,0|1,0,1]=4 9651 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)N 62a_100000211628_100011356972 [0,2,0,0,0,0|1,0,1]=4 9652 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)N 62a_100011356972_100000211628 [0,2,0,0,0,0|1,0,1]=4 9653 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)O 62a_100000211628_100000688818 [0,2,0,0,0,0|1,0,1]=4 9654 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)F)O 62a_100000688818_100000211628 [0,2,0,0,0,0|1,0,1]=4 9655 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)N)C 62a_100000211628_100000695972 [0,2,0,0,0,0|1,0,1]=4 9656 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)N)C 62a_100000695972_100000211628 [0,2,0,0,0,0|1,0,1]=4 9657 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)N)N 62a_100000211628_100011999608 [0,2,0,0,0,0|1,0,1]=4 9658 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)N)N 62a_100011999608_100000211628 [0,2,0,0,0,0|1,0,1]=4 9659 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)O)C 62a_100000211628_100011999630 [0,2,0,0,0,0|1,0,1]=4 9660 B17R1.6343 CCCCOC(=O)CSc1cc(cc(c1)O)O 62a_100000211628_100009868816 [0,2,0,0,0,0|1,0,1]=4 9661 B17R1.6343 CCCNNC(=O)C=Cc1cc(cc(c1)C)C 22a_100000740057_100016257640 [0,2,0,0,0,0|2,0,0]=4 9662 B17R1.6343 CCCNNC(=O)C=Cc1cc(cc(c1)Cl)Cl 22a_100000740057_100000234795 [0,2,0,0,0,0|2,0,0]=4 9663 B17R1.6343 CCCNNC(=O)C=Cc1cc(cc(c1)Cl)F 22a_100000740057_100012349021 [0,2,0,0,0,0|2,0,0]=4 9664 B17R1.6343 CCCNNC(=O)C=Cc1cc(cc(c1)F)C 22a_100000740057_100102526130 [0,2,0,0,0,0|2,0,0]=4 9665 B17R1.6343 CCCNNC(=O)C=Cc1cc(cc(c1)F)F 22a_100000740057_100015207409 [0,2,0,0,0,0|2,0,0]=4 9666 B17R1.6343 CCCNNC(=O)C=Cc1cc(cc(c1)O)O 22a_100000740057_200016280741 [0,2,0,0,0,0|2,0,0]=4 9667 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100010632825 [0,2,0,0,0,0|2,0,0]=4 9668 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100010632825 [0,2,0,0,0,0|2,0,0]=4 9669 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100010632825 [0,2,0,0,0,0|2,0,0]=4 9670 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100010632825 [0,2,0,0,0,0|2,0,0]=4 9671 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100010632825 [0,2,0,0,0,0|2,0,0]=4 9672 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100010632825 [0,2,0,0,0,0|2,0,0]=4 9673 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100010632825 [0,2,0,0,0,0|2,0,0]=4 9674 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100010632825 [0,2,0,0,0,0|2,0,0]=4 9675 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100010632825 [0,2,0,0,0,0|2,0,0]=4 9676 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100010632825 [0,2,0,0,0,0|2,0,0]=4 9677 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100010632825 [0,2,0,0,0,0|2,0,0]=4 9678 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100010632825 [0,2,0,0,0,0|2,0,0]=4 9679 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100010632825 [0,2,0,0,0,0|2,0,0]=4 9680 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100010632825 [0,2,0,0,0,0|2,0,0]=4 9681 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100010632825 [0,2,0,0,0,0|2,0,0]=4 9682 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100010632825 [0,2,0,0,0,0|2,0,0]=4 9683 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100010632825 [0,2,0,0,0,0|2,0,0]=4 9684 B17R1.6343 CCCOCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100010632825 [0,2,0,0,0,0|2,0,0]=4 9685 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100011343953 [0,2,0,0,0,0|2,0,0]=4 9686 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100011343953 [0,2,0,0,0,0|2,0,0]=4 9687 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100011343953 [0,2,0,0,0,0|2,0,0]=4 9688 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100011343953 [0,2,0,0,0,0|2,0,0]=4 9689 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100011343953 [0,2,0,0,0,0|2,0,0]=4 9690 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100011343953 [0,2,0,0,0,0|2,0,0]=4 9691 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100011343953 [0,2,0,0,0,0|2,0,0]=4 9692 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100011343953 [0,2,0,0,0,0|2,0,0]=4 9693 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100011343953 [0,2,0,0,0,0|2,0,0]=4 9694 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100011343953 [0,2,0,0,0,0|2,0,0]=4 9695 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100011343953 [0,2,0,0,0,0|2,0,0]=4 9696 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100011343953 [0,2,0,0,0,0|2,0,0]=4 9697 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100011343953 [0,2,0,0,0,0|2,0,0]=4 9698 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100011343953 [0,2,0,0,0,0|2,0,0]=4 9699 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100011343953 [0,2,0,0,0,0|2,0,0]=4 9700 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100011343953 [0,2,0,0,0,0|2,0,0]=4 9701 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100011343953 [0,2,0,0,0,0|2,0,0]=4 9702 B17R1.6343 CCCSCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100011343953 [0,2,0,0,0,0|2,0,0]=4 9703 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_200011216536 [0,2,0,0,0,0|2,0,0]=4 9704 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_200011216536 [0,2,0,0,0,0|2,0,0]=4 9705 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_200011216536 [0,2,0,0,0,0|2,0,0]=4 9706 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_200011216536 [0,2,0,0,0,0|2,0,0]=4 9707 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_200011216536 [0,2,0,0,0,0|2,0,0]=4 9708 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100011215890 [0,2,0,0,0,0|2,0,0]=4 9709 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_200011216536 [0,2,0,0,0,0|2,0,0]=4 9710 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_200011216536 [0,2,0,0,0,0|2,0,0]=4 9711 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100011215890 [0,2,0,0,0,0|2,0,0]=4 9712 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_200011216536 [0,2,0,0,0,0|2,0,0]=4 9713 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100011215890 [0,2,0,0,0,0|2,0,0]=4 9714 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_200011216536 [0,2,0,0,0,0|2,0,0]=4 9715 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_200011216536 [0,2,0,0,0,0|2,0,0]=4 9716 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100011215890 [0,2,0,0,0,0|2,0,0]=4 9717 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_200011216536 [0,2,0,0,0,0|2,0,0]=4 9718 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100011215890 [0,2,0,0,0,0|2,0,0]=4 9719 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_200011216536 [0,2,0,0,0,0|2,0,0]=4 9720 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_200011216536 [0,2,0,0,0,0|2,0,0]=4 9721 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_200011216536 [0,2,0,0,0,0|2,0,0]=4 9722 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_200011216536 [0,2,0,0,0,0|2,0,0]=4 9723 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_200011216536 [0,2,0,0,0,0|2,0,0]=4 9724 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_200011216536 [0,2,0,0,0,0|2,0,0]=4 9725 B17R1.6343 CCOCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_200011216536 [0,2,0,0,0,0|2,0,0]=4 9726 B17R1.6343 CCSCCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100000757381 [0,2,0,0,0,0|2,0,0]=4 9727 B17R1.6343 CCSCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000757381 [0,2,0,0,0,0|2,0,0]=4 9728 B17R1.6343 CCSCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000757381 [0,2,0,0,0,0|2,0,0]=4 9729 B17R1.6343 CCSCCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100000757381 [0,2,0,0,0,0|2,0,0]=4 9730 B17R1.6343 CCSCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000757381 [0,2,0,0,0,0|2,0,0]=4 9731 B17R1.6343 COCCCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100000740836 [0,2,0,0,0,0|2,0,0]=4 9732 B17R1.6343 COCCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000740836 [0,2,0,0,0,0|2,0,0]=4 9733 B17R1.6343 COCCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000740836 [0,2,0,0,0,0|2,0,0]=4 9734 B17R1.6343 COCCCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100000740836 [0,2,0,0,0,0|2,0,0]=4 9735 B17R1.6343 COCCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000740836 [0,2,0,0,0,0|2,0,0]=4 9736 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100000209980_100016257640 [0,2,0,0,0,0|2,0,0]=4 9737 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100000209980_100016257640 [0,2,0,0,0,0|2,0,0]=4 9738 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100000209980_100000234795 [0,2,0,0,0,0|2,0,0]=4 9739 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100000209980_100000234795 [0,2,0,0,0,0|2,0,0]=4 9740 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100000209980_100012349021 [0,2,0,0,0,0|2,0,0]=4 9741 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100000209980_100012349021 [0,2,0,0,0,0|2,0,0]=4 9742 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100000209980_100102526130 [0,2,0,0,0,0|2,0,0]=4 9743 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100000209980_100102526130 [0,2,0,0,0,0|2,0,0]=4 9744 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100000209980_100015207409 [0,2,0,0,0,0|2,0,0]=4 9745 B17R1.6343 COCCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100000209980_100015207409 [0,2,0,0,0,0|2,0,0]=4 9746 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100011399439 [0,2,0,0,0,0|2,0,0]=4 9747 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100011399439 [0,2,0,0,0,0|2,0,0]=4 9748 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100011399439 [0,2,0,0,0,0|2,0,0]=4 9749 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100011399439 [0,2,0,0,0,0|2,0,0]=4 9750 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100011399439 [0,2,0,0,0,0|2,0,0]=4 9751 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100011399439 [0,2,0,0,0,0|2,0,0]=4 9752 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100011399439 [0,2,0,0,0,0|2,0,0]=4 9753 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100011399439 [0,2,0,0,0,0|2,0,0]=4 9754 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100011399439 [0,2,0,0,0,0|2,0,0]=4 9755 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100011399439 [0,2,0,0,0,0|2,0,0]=4 9756 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100011399439 [0,2,0,0,0,0|2,0,0]=4 9757 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100011399439 [0,2,0,0,0,0|2,0,0]=4 9758 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100011399439 [0,2,0,0,0,0|2,0,0]=4 9759 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100011399439 [0,2,0,0,0,0|2,0,0]=4 9760 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100011399439 [0,2,0,0,0,0|2,0,0]=4 9761 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100011399439 [0,2,0,0,0,0|2,0,0]=4 9762 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100011399439 [0,2,0,0,0,0|2,0,0]=4 9763 B17R1.6343 CSCCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100011399439 [0,2,0,0,0,0|2,0,0]=4 9764 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)C)C 11a_100020590264_100016257640 [0,2,0,0,0,0|2,0,0]=4 9765 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100020590264_100016257640 [0,2,0,0,0,0|2,0,0]=4 9766 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100020590264_100016257640 [0,2,0,0,0,0|2,0,0]=4 9767 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100020590264_100000234795 [0,2,0,0,0,0|2,0,0]=4 9768 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100020590264_100000234795 [0,2,0,0,0,0|2,0,0]=4 9769 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100020590264_100000234795 [0,2,0,0,0,0|2,0,0]=4 9770 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100020590264_100012349021 [0,2,0,0,0,0|2,0,0]=4 9771 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100020590264_100012349021 [0,2,0,0,0,0|2,0,0]=4 9772 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100020590264_100012349021 [0,2,0,0,0,0|2,0,0]=4 9773 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)C 11a_100020590264_100102526130 [0,2,0,0,0,0|2,0,0]=4 9774 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100020590264_100102526130 [0,2,0,0,0,0|2,0,0]=4 9775 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100020590264_100102526130 [0,2,0,0,0,0|2,0,0]=4 9776 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)F 11a_100020590264_100015207409 [0,2,0,0,0,0|2,0,0]=4 9777 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100020590264_100015207409 [0,2,0,0,0,0|2,0,0]=4 9778 B17R1.6343 CSCCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100020590264_100015207409 [0,2,0,0,0,0|2,0,0]=4 9779 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCBr)Br 6a_100000686105_100009817362 [0,2,0,0,0,0|2,0,0]=4 9780 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCBr)C 6a_100000745632_100009817362 [0,2,0,0,0,0|2,0,0]=4 9781 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCBr)Cl 6a_100000684525_100009817362 [0,2,0,0,0,0|2,0,0]=4 9782 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCBr)F 6a_100011217087_100009817362 [0,2,0,0,0,0|2,0,0]=4 9783 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCBr)O 6a_100009853434_100009817362 [0,2,0,0,0,0|2,0,0]=4 9784 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCCl)Br 6a_100000686105_100000735457 [0,2,0,0,0,0|2,0,0]=4 9785 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCCl)C 6a_100000745632_100000735457 [0,2,0,0,0,0|2,0,0]=4 9786 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCCl)Cl 6a_100000684525_100000735457 [0,2,0,0,0,0|2,0,0]=4 9787 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCCl)F 6a_100011217087_100000735457 [0,2,0,0,0,0|2,0,0]=4 9788 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCCl)O 6a_100009853434_100000735457 [0,2,0,0,0,0|2,0,0]=4 9789 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCF)C 1458a_100016257640_100000729493 [0,2,0,0,0,0|2,0,0]=4 9790 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCF)F 1458a_100102526130_100000729493 [0,2,0,0,0,0|2,0,0]=4 9791 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCO)C 1458a_100016257640_100000210776 [0,2,0,0,0,0|2,0,0]=4 9792 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)CCCCO)F 1458a_100102526130_100000210776 [0,2,0,0,0,0|2,0,0]=4 9793 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCF)C 11a_100015189416_100016257640 [0,2,0,0,0,0|2,0,0]=4 9794 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCF)C 1626a_100015189416_100016257640 [0,2,0,0,0,0|2,0,0]=4 9795 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCF)C 240690a_100015189416_100016257640 [0,2,0,0,0,0|2,0,0]=4 9796 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCF)F 11a_100015189416_100102526130 [0,2,0,0,0,0|2,0,0]=4 9797 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCF)F 1626a_100015189416_100102526130 [0,2,0,0,0,0|2,0,0]=4 9798 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCF)F 240690a_100015189416_100102526130 [0,2,0,0,0,0|2,0,0]=4 9799 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCO)C 240690a_100000182051_100016257640 [0,2,0,0,0,0|2,0,0]=4 9800 B17R1.6343 Cc1cc(cc(c1)C=CC(=O)NCCCO)F 240690a_100000182051_100102526130 [0,2,0,0,0,0|2,0,0]=4 9801 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)Br)CCCCBr 6a_100000719502_100009817362 [0,2,0,0,0,0|2,0,0]=4 9802 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)Br)CCCCCl 6a_100000719502_100000735457 [0,2,0,0,0,0|2,0,0]=4 9803 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)Cl)CCCCBr 6a_100011934515_100009817362 [0,2,0,0,0,0|2,0,0]=4 9804 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)Cl)CCCCCl 6a_100011934515_100000735457 [0,2,0,0,0,0|2,0,0]=4 9805 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)F)CCCCBr 6a_100011794424_100009817362 [0,2,0,0,0,0|2,0,0]=4 9806 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)F)CCCCCl 6a_100011794424_100000735457 [0,2,0,0,0,0|2,0,0]=4 9807 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)O)CCCCBr 6a_100010176088_100009817362 [0,2,0,0,0,0|2,0,0]=4 9808 B17R1.6343 O=C(C=Cc1cc(cc(c1)Br)O)CCCCCl 6a_100010176088_100000735457 [0,2,0,0,0,0|2,0,0]=4 9809 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCCBr 6a_100000741761_100009817362 [0,2,0,0,0,0|2,0,0]=4 9810 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCCCl 6a_100000741761_100000735457 [0,2,0,0,0,0|2,0,0]=4 9811 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCCF 1458a_100000234795_100000729493 [0,2,0,0,0,0|2,0,0]=4 9812 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCCO 1458a_100000234795_100000210776 [0,2,0,0,0,0|2,0,0]=4 9813 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCCF 11a_100015189416_100000234795 [0,2,0,0,0,0|2,0,0]=4 9814 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCCF 1626a_100015189416_100000234795 [0,2,0,0,0,0|2,0,0]=4 9815 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCCF 240690a_100015189416_100000234795 [0,2,0,0,0,0|2,0,0]=4 9816 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCCO 240690a_100000182051_100000234795 [0,2,0,0,0,0|2,0,0]=4 9817 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)CCCCBr 6a_100000703917_100009817362 [0,2,0,0,0,0|2,0,0]=4 9818 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)CCCCCl 6a_100000703917_100000735457 [0,2,0,0,0,0|2,0,0]=4 9819 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)CCCCF 1458a_100012349021_100000729493 [0,2,0,0,0,0|2,0,0]=4 9820 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)CCCCO 1458a_100012349021_100000210776 [0,2,0,0,0,0|2,0,0]=4 9821 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)NCCCF 11a_100015189416_100012349021 [0,2,0,0,0,0|2,0,0]=4 9822 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)NCCCF 1626a_100015189416_100012349021 [0,2,0,0,0,0|2,0,0]=4 9823 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)NCCCF 240690a_100015189416_100012349021 [0,2,0,0,0,0|2,0,0]=4 9824 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)F)NCCCO 240690a_100000182051_100012349021 [0,2,0,0,0,0|2,0,0]=4 9825 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)O)CCCCBr 6a_100000050827_100009817362 [0,2,0,0,0,0|2,0,0]=4 9826 B17R1.6343 O=C(C=Cc1cc(cc(c1)Cl)O)CCCCCl 6a_100000050827_100000735457 [0,2,0,0,0,0|2,0,0]=4 9827 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)CCCCBr 6a_100000743029_100009817362 [0,2,0,0,0,0|2,0,0]=4 9828 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)CCCCCl 6a_100000743029_100000735457 [0,2,0,0,0,0|2,0,0]=4 9829 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)CCCCF 1458a_100015207409_100000729493 [0,2,0,0,0,0|2,0,0]=4 9830 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)CCCCO 1458a_100015207409_100000210776 [0,2,0,0,0,0|2,0,0]=4 9831 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)NCCCF 11a_100015189416_100015207409 [0,2,0,0,0,0|2,0,0]=4 9832 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)NCCCF 1626a_100015189416_100015207409 [0,2,0,0,0,0|2,0,0]=4 9833 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)NCCCF 240690a_100015189416_100015207409 [0,2,0,0,0,0|2,0,0]=4 9834 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)F)NCCCO 240690a_100000182051_100015207409 [0,2,0,0,0,0|2,0,0]=4 9835 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)O)CCCCBr 6a_100000703664_100009817362 [0,2,0,0,0,0|2,0,0]=4 9836 B17R1.6343 O=C(C=Cc1cc(cc(c1)F)O)CCCCCl 6a_100000703664_100000735457 [0,2,0,0,0,0|2,0,0]=4 9837 B17R1.6343 O=C(C=Cc1cc(cc(c1)I)Br)CCCCBr 6a_100010185649_100009817362 [0,2,0,0,0,0|2,0,0]=4 9838 B17R1.6343 O=C(C=Cc1cc(cc(c1)I)Br)CCCCCl 6a_100010185649_100000735457 [0,2,0,0,0,0|2,0,0]=4 9839 B17R1.6343 O=C(C=Cc1cc(cc(c1)I)F)CCCCBr 6a_100010185655_100009817362 [0,2,0,0,0,0|2,0,0]=4 9840 B17R1.6343 O=C(C=Cc1cc(cc(c1)I)F)CCCCCl 6a_100010185655_100000735457 [0,2,0,0,0,0|2,0,0]=4 9841 B17R1.6343 O=C(C=Cc1cc(cc(c1)I)I)CCCCBr 6a_100010185653_100009817362 [0,2,0,0,0,0|2,0,0]=4 9842 B17R1.6343 O=C(C=Cc1cc(cc(c1)I)I)CCCCCl 6a_100010185653_100000735457 [0,2,0,0,0,0|2,0,0]=4 9843 B17R1.6343 O=C(C=Cc1cc(cc(c1)O)O)CCCCBr 6a_100000043415_100009817362 [0,2,0,0,0,0|2,0,0]=4 9844 B17R1.6343 O=C(C=Cc1cc(cc(c1)O)O)CCCCCl 6a_100000043415_100000735457 [0,2,0,0,0,0|2,0,0]=4 9845 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215641 [0,2,0,0,0,0|1,0,1]=4 9846 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011215641 [0,2,0,0,0,0|1,0,1]=4 9847 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215641 [0,2,0,0,0,0|1,0,1]=4 9848 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215641 [0,2,0,0,0,0|1,0,1]=4 9849 B17R1.14359 CC(=O)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215641 [0,2,0,0,0,0|1,0,1]=4 9850 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011214892 [0,2,0,0,0,0|1,0,0]=3 9851 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000753411 [0,2,0,0,0,0|1,0,0]=3 9852 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011214892 [0,2,0,0,0,0|1,0,0]=3 9853 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011214892 [0,2,0,0,0,0|1,0,0]=3 9854 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000753411 [0,2,0,0,0,0|1,0,0]=3 9855 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011214892 [0,2,0,0,0,0|1,0,0]=3 9856 B17R1.14359 CC(C)CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000753411 [0,2,0,0,0,0|1,0,0]=3 9857 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000753411 [0,2,0,0,0,0|2,0,0]=4 9858 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000753411 [0,2,0,0,0,0|2,0,0]=4 9859 B17R1.14359 CC(C)CCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000753411 [0,2,0,0,0,0|2,0,0]=4 9860 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 11a_100000210545_100016258244 [0,2,0,0,0,0|1,0,0]=3 9861 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000210545_100016258244 [0,2,0,0,0,0|1,0,0]=3 9862 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000210545_100016258244 [0,2,0,0,0,0|1,0,0]=3 9863 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000210545_100000184502 [0,2,0,0,0,0|1,0,0]=3 9864 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000210545_100000184502 [0,2,0,0,0,0|1,0,0]=3 9865 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210545_100000184502 [0,2,0,0,0,0|1,0,0]=3 9866 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 11a_100000210545_100000718793 [0,2,0,0,0,0|1,0,0]=3 9867 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 1626a_100000210545_100000718793 [0,2,0,0,0,0|1,0,0]=3 9868 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000210545_100000718793 [0,2,0,0,0,0|1,0,0]=3 9869 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 11a_100000210545_100020647043 [0,2,0,0,0,0|1,0,0]=3 9870 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 1626a_100000210545_100020647043 [0,2,0,0,0,0|1,0,0]=3 9871 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000210545_100020647043 [0,2,0,0,0,0|1,0,0]=3 9872 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)Br 22a_100000696102_100016258244 [0,2,0,0,0,0|2,0,0]=4 9873 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)Cl 22a_100000696102_100000184502 [0,2,0,0,0,0|2,0,0]=4 9874 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)F 22a_100000696102_100000718793 [0,2,0,0,0,0|2,0,0]=4 9875 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)I 22a_100000696102_100020647043 [0,2,0,0,0,0|2,0,0]=4 9876 B17R1.14359 CC(C)CNNC(=O)C=Cc1cccc(c1)O 22a_100000696102_100102525460 [0,2,0,0,0,0|2,0,0]=4 9877 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000211751 [0,2,0,0,0,0|2,0,0]=4 9878 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011219172 [0,2,0,0,0,0|2,0,0]=4 9879 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000211751 [0,2,0,0,0,0|2,0,0]=4 9880 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000211751 [0,2,0,0,0,0|2,0,0]=4 9881 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011219172 [0,2,0,0,0,0|2,0,0]=4 9882 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000211751 [0,2,0,0,0,0|2,0,0]=4 9883 B17R1.14359 CC(C)OCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011219172 [0,2,0,0,0,0|2,0,0]=4 9884 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000730970 [0,2,0,0,0,0|2,0,0]=4 9885 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000730970 [0,2,0,0,0,0|2,0,0]=4 9886 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000730970 [0,2,0,0,0,0|2,0,0]=4 9887 B17R1.14359 CC(C)SCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000730970 [0,2,0,0,0,0|2,0,0]=4 9888 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000718107 [0,2,0,0,0,0|1,0,0]=3 9889 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000718107 [0,2,0,0,0,0|1,0,0]=3 9890 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000718107 [0,2,0,0,0,0|1,0,0]=3 9891 B17R1.14359 CC(O)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000718107 [0,2,0,0,0,0|1,0,0]=3 9892 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)Br 240690a_200000755665_100016258244 [0,2,0,0,0,0|1,0,0]=3 9893 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_200000755665_100000184502 [0,2,0,0,0,0|1,0,0]=3 9894 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)F 240690a_200000755665_100000718793 [0,2,0,0,0,0|1,0,0]=3 9895 B17R1.14359 CC(O)CCNC(=O)C=Cc1cccc(c1)I 240690a_200000755665_100020647043 [0,2,0,0,0,0|1,0,0]=3 9896 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)Br 22a_200000730056_100016258244 [0,2,0,0,0,0|2,0,0]=4 9897 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)Cl 22a_200000730056_100000184502 [0,2,0,0,0,0|2,0,0]=4 9898 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)F 22a_200000730056_100000718793 [0,2,0,0,0,0|2,0,0]=4 9899 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)I 22a_200000730056_100020647043 [0,2,0,0,0,0|2,0,0]=4 9900 B17R1.14359 CC(O)CNNC(=O)C=Cc1cccc(c1)O 22a_200000730056_100102525460 [0,2,0,0,0,0|2,0,0]=4 9901 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000695564 [0,2,0,0,0,0|2,0,0]=4 9902 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000695564 [0,2,0,0,0,0|2,0,0]=4 9903 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000695564 [0,2,0,0,0,0|2,0,0]=4 9904 B17R1.14359 CN(C)CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000695564 [0,2,0,0,0,0|2,0,0]=4 9905 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000210585_100016258244 [0,2,0,0,0,0|2,0,0]=4 9906 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210585_100000184502 [0,2,0,0,0,0|2,0,0]=4 9907 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)F 240690a_100000210585_100000718793 [0,2,0,0,0,0|2,0,0]=4 9908 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)I 240690a_100000210585_100020647043 [0,2,0,0,0,0|2,0,0]=4 9909 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCC(C)C 1458a_100000690095_100011214892 [0,2,0,0,0,0|1,0,0]=3 9910 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCC(C)O 1458a_100000690095_200000718107 [0,2,0,0,0,0|1,0,0]=3 9911 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCCN(C)C 1458a_100000690095_100000695564 [0,2,0,0,0,0|2,0,0]=4 9912 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCOC(C)C 1458a_100000690095_100000211751 [0,2,0,0,0,0|2,0,0]=4 9913 B17R1.14359 Cc1cccc(c1)C=CC(=O)CCSC(C)C 1458a_100000690095_100000730970 [0,2,0,0,0,0|2,0,0]=4 9914 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 11a_100000210545_100000690095 [0,2,0,0,0,0|1,0,0]=3 9915 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 1626a_100000210545_100000690095 [0,2,0,0,0,0|1,0,0]=3 9916 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)C 240690a_100000210545_100000690095 [0,2,0,0,0,0|1,0,0]=3 9917 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCC(C)O 240690a_200000755665_100000690095 [0,2,0,0,0,0|1,0,0]=3 9918 B17R1.14359 Cc1cccc(c1)C=CC(=O)NCCN(C)C 240690a_100000210585_100000690095 [0,2,0,0,0,0|2,0,0]=4 9919 B17R1.14359 Cc1cccc(c1)C=CC(=O)NNCC(C)C 22a_100000696102_100000690095 [0,2,0,0,0,0|2,0,0]=4 9920 B17R1.14359 Cc1cccc(c1)C=CC(=O)NNCC(C)O 22a_200000730056_100000690095 [0,2,0,0,0,0|2,0,0]=4 9921 B17R1.14359 Cc1cncc(c1)C=CC(=O)CCCC(C)C 6a_100011998712_100000753411 [0,2,0,0,0,0|2,0,0]=4 9922 B17R1.1218 CC(C#N)CNNC(=O)C=Cc1ccccc1 22a_100000045663_100000210462 [0,2,0,0,0,0|2,0,0]=4 9923 B17R1.1218 CC(CO)CCNC(=O)C=Cc1ccccn1 240690a_106354213184_100000740811 [0,2,0,0,0,0|2,0,0]=4 9924 B17R1.1218 CC(CO)CCNC(=O)C=Cc1cccnc1 240690a_106354213184_100000735890 [0,2,0,0,0,0|2,0,0]=4 9925 B17R1.1218 CC(CO)CCNC(=O)C=Cc1ccncc1 240690a_106354213184_100000682801 [0,2,0,0,0,0|2,0,0]=4 9926 B17R1.1218 CCC(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_100000210202 [0,2,0,0,0,0|1,0,0]=3 9927 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccc1 11a_100020591266_100000210462 [0,2,0,0,0,0|1,0,0]=3 9928 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccc1 1626a_100020591266_100000210462 [0,2,0,0,0,0|1,0,0]=3 9929 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccn1 11a_100020591266_100000740811 [0,2,0,0,0,0|2,0,0]=4 9930 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccccn1 240690a_100020591266_100000740811 [0,2,0,0,0,0|2,0,0]=4 9931 B17R1.1218 CCC(C)CCNC(=O)C=Cc1cccnc1 11a_100020591266_100000735890 [0,2,0,0,0,0|2,0,0]=4 9932 B17R1.1218 CCC(C)CCNC(=O)C=Cc1cccnc1 240690a_100020591266_100000735890 [0,2,0,0,0,0|2,0,0]=4 9933 B17R1.1218 CCC(C)CCNC(=O)C=Cc1ccncc1 240690a_100020591266_100000682801 [0,2,0,0,0,0|2,0,0]=4 9934 B17R1.1218 CCC(O)CNN=C(C)C=Cc1ccccc1 4a_100015206393_100000204604 [0,2,0,0,0,0|2,0,0]=4 9935 B17R1.1218 CCC(O)CNNC(=O)C=Cc1ccccc1 22a_100015206393_100000210462 [0,2,0,0,0,0|1,0,0]=3 9936 B17R1.1218 CCC(O)CNNC(=O)C=Cc1ccccn1 22a_100015206393_100000740811 [0,2,0,0,0,0|2,0,0]=4 9937 B17R1.1218 CCC(O)CNNC(=O)C=Cc1cccnc1 22a_100015206393_100000735890 [0,2,0,0,0,0|2,0,0]=4 9938 B17R1.1218 CCC(O)CNNC(=O)C=Cc1ccncc1 22a_100015206393_100000682801 [0,2,0,0,0,0|2,0,0]=4 9939 B17R1.1218 CCN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100015186262 [0,2,0,0,0,0|1,0,0]=3 9940 B17R1.1218 CCN(C)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100015186262 [0,2,0,0,0,0|2,0,0]=4 9941 B17R1.1218 CCN(C)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100015186262 [0,2,0,0,0,0|2,0,0]=4 9942 B17R1.1218 CCN(C)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100015186262 [0,2,0,0,0,0|2,0,0]=4 9943 B17R1.1218 CC[C@H](C)COCC(=O)CCc1ccccc1 7a_100009816381_100012361361 [0,2,0,0,0,0|0,0,2]=4 9944 B17R1.1218 CC[C@H](C)COCC(=O)NCc1ccccc1 7a_100009816381_100000183539 [0,2,0,0,0,0|1,0,1]=4 9945 B17R1.1218 CC[C@H](C)COCC(=O)OCc1ccccc1 7a_100009816381_100000753625 [0,2,0,0,0,0|1,0,1]=4 9946 B17R1.1218 CNC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000741757 [0,2,0,0,0,0|1,0,1]=4 9947 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 11a_100000738227_100000210462 [0,2,0,0,0,0|1,0,1]=4 9948 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 11a_106832991635_100015194563 [0,2,0,0,0,0|1,0,1]=4 9949 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 1626a_100102657272_100015194563 [0,2,0,0,0,0|1,0,1]=4 9950 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 240690a_100102657272_100015194563 [0,2,0,0,0,0|1,0,1]=4 9951 B17R1.1218 CNC(=O)CCNC(=O)C=Cc1ccccc1 527a_100102657272_100015194563 [0,2,0,0,0,0|1,0,1]=4 9952 B17R1.1218 COC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011218270 [0,2,0,0,0,0|1,0,1]=4 9953 B17R1.1218 COC(=O)CCNC(=O)C=Cc1ccccc1 188690a_100000683876_100000210462 [0,2,0,0,0,0|1,0,1]=4 9954 B17R1.1218 O=C(CF)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_100015361967 [0,2,0,0,0,0|1,0,1]=4 9955 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100011261404 [0,2,0,0,0,0|1,0,0]=3 9956 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100011261404 [0,2,0,0,0,0|2,0,0]=4 9957 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100011261404 [0,2,0,0,0,0|2,0,0]=4 9958 B17R1.5010 CC(C)CCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100011261404 [0,2,0,0,0,0|2,0,0]=4 9959 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccc1 11a_100000742789_100000210462 [0,2,0,0,0,0|1,0,0]=3 9960 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccc1 1626a_100000742789_100000210462 [0,2,0,0,0,0|1,0,0]=3 9961 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccn1 11a_100000742789_100000740811 [0,2,0,0,0,0|2,0,0]=4 9962 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccccn1 240690a_100000742789_100000740811 [0,2,0,0,0,0|2,0,0]=4 9963 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1cccnc1 11a_100000742789_100000735890 [0,2,0,0,0,0|2,0,0]=4 9964 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1cccnc1 240690a_100000742789_100000735890 [0,2,0,0,0,0|2,0,0]=4 9965 B17R1.5010 CC(C)CCN(C)C(=O)C=Cc1ccncc1 240690a_100000742789_100000682801 [0,2,0,0,0,0|2,0,0]=4 9966 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215641 [0,2,0,0,0,0|1,0,1]=4 9967 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215641 [0,2,0,0,0,0|1,0,1]=4 9968 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215641 [0,2,0,0,0,0|1,0,1]=4 9969 B17R1.9015 CC(=O)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215641 [0,2,0,0,0,0|1,0,1]=4 9970 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214892 [0,2,0,0,0,0|1,0,0]=3 9971 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214892 [0,2,0,0,0,0|1,0,0]=3 9972 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214892 [0,2,0,0,0,0|1,0,0]=3 9973 B17R1.9015 CC(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214892 [0,2,0,0,0,0|1,0,0]=3 9974 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 11a_100000210545_100000719032 [0,2,0,0,0,0|1,0,0]=3 9975 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 1626a_100000210545_100000719032 [0,2,0,0,0,0|1,0,0]=3 9976 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000210545_100000719032 [0,2,0,0,0,0|1,0,0]=3 9977 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 11a_100000210545_100000720304 [0,2,0,0,0,0|1,0,0]=3 9978 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 1626a_100000210545_100000720304 [0,2,0,0,0,0|1,0,0]=3 9979 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000210545_100000720304 [0,2,0,0,0,0|1,0,0]=3 9980 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 11a_100000210545_100016256065 [0,2,0,0,0,0|1,0,0]=3 9981 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 1626a_100000210545_100016256065 [0,2,0,0,0,0|1,0,0]=3 9982 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000210545_100016256065 [0,2,0,0,0,0|1,0,0]=3 9983 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1Br 22a_100000696102_100000719032 [0,2,0,0,0,0|2,0,0]=4 9984 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1Cl 22a_100000696102_100000720304 [0,2,0,0,0,0|2,0,0]=4 9985 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1F 22a_100000696102_100016256065 [0,2,0,0,0,0|2,0,0]=4 9986 B17R1.9015 CC(C)CNNC(=O)C=Cc1ccccc1O 22a_100000696102_100016263591 [0,2,0,0,0,0|2,0,0]=4 9987 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000211751 [0,2,0,0,0,0|2,0,0]=4 9988 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000211751 [0,2,0,0,0,0|2,0,0]=4 9989 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000211751 [0,2,0,0,0,0|2,0,0]=4 9990 B17R1.9015 CC(C)OCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000211751 [0,2,0,0,0,0|2,0,0]=4 9991 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000730970 [0,2,0,0,0,0|2,0,0]=4 9992 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000730970 [0,2,0,0,0,0|2,0,0]=4 9993 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000730970 [0,2,0,0,0,0|2,0,0]=4 9994 B17R1.9015 CC(C)SCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000730970 [0,2,0,0,0,0|2,0,0]=4 9995 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000718107 [0,2,0,0,0,0|1,0,0]=3 9996 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000718107 [0,2,0,0,0,0|1,0,0]=3 9997 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_200000718107 [0,2,0,0,0,0|1,0,0]=3 9998 B17R1.9015 CC(O)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_200000718107 [0,2,0,0,0,0|1,0,0]=3 9999 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1Br 240690a_200000755665_100000719032 [0,2,0,0,0,0|1,0,0]=3 10000 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1Cl 240690a_200000755665_100000720304 [0,2,0,0,0,0|1,0,0]=3 10001 B17R1.9015 CC(O)CCNC(=O)C=Cc1ccccc1F 240690a_200000755665_100016256065 [0,2,0,0,0,0|1,0,0]=3 10002 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1Br 22a_200000730056_100000719032 [0,2,0,0,0,0|2,0,0]=4 10003 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1Cl 22a_200000730056_100000720304 [0,2,0,0,0,0|2,0,0]=4 10004 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1F 22a_200000730056_100016256065 [0,2,0,0,0,0|2,0,0]=4 10005 B17R1.9015 CC(O)CNNC(=O)C=Cc1ccccc1O 22a_200000730056_100016263591 [0,2,0,0,0,0|2,0,0]=4 10006 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000695564 [0,2,0,0,0,0|2,0,0]=4 10007 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000695564 [0,2,0,0,0,0|2,0,0]=4 10008 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000695564 [0,2,0,0,0,0|2,0,0]=4 10009 B17R1.9015 CN(C)CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000695564 [0,2,0,0,0,0|2,0,0]=4 10010 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br 240690a_100000210585_100000719032 [0,2,0,0,0,0|2,0,0]=4 10011 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Cl 240690a_100000210585_100000720304 [0,2,0,0,0,0|2,0,0]=4 10012 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1F 240690a_100000210585_100016256065 [0,2,0,0,0,0|2,0,0]=4 10013 B17R1.9015 Cc1ccccc1C=CC(=O)NCCC(C)C 1626a_100000210545_100016266485 [0,2,0,0,0,0|1,0,0]=3 10014 B17R1.9015 Cc1ccccc1C=CC(=O)NNCC(C)C 22a_100000696102_100016266485 [0,2,0,0,0,0|2,0,0]=4 10015 B17R1.9015 Cc1ccccc1C=CC(=O)NNCC(C)O 22a_200000730056_100016266485 [0,2,0,0,0,0|2,0,0]=4 10016 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCC(C)C 1458a_100016990649_100011214892 [0,2,0,0,0,0|1,0,0]=3 10017 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCC(C)O 1458a_100016990649_200000718107 [0,2,0,0,0,0|1,0,0]=3 10018 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCCN(C)C 1458a_100016990649_100000695564 [0,2,0,0,0,0|2,0,0]=4 10019 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCOC(C)C 1458a_100016990649_100000211751 [0,2,0,0,0,0|2,0,0]=4 10020 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)CCSC(C)C 1458a_100016990649_100000730970 [0,2,0,0,0,0|2,0,0]=4 10021 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 11a_100000210545_100016990649 [0,2,0,0,0,0|1,0,0]=3 10022 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 1626a_100000210545_100016990649 [0,2,0,0,0,0|1,0,0]=3 10023 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)C 527a_100000210545_100016990649 [0,2,0,0,0,0|1,0,0]=3 10024 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCC(C)O 527a_200000755665_100016990649 [0,2,0,0,0,0|1,0,0]=3 10025 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NCCN(C)C 527a_100000210585_100016990649 [0,2,0,0,0,0|2,0,0]=4 10026 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NNCC(C)C 22a_100000696102_100016990649 [0,2,0,0,0,0|2,0,0]=4 10027 B17R1.9289 C/C(=C\c1ccccc1)/C(=O)NNCC(C)O 22a_200000730056_100016990649 [0,2,0,0,0,0|2,0,0]=4 10028 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCCC(C)C 1458a_100025712827_100011214892 [0,2,0,0,0,0|2,0,0]=4 10029 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)CCCC(C)O 1458a_100025712827_200000718107 [0,2,0,0,0,0|2,0,0]=4 10030 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 11a_100000210545_100025712827 [0,2,0,0,0,0|2,0,0]=4 10031 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 1626a_100000210545_100025712827 [0,2,0,0,0,0|2,0,0]=4 10032 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)C 527a_100000210545_100025712827 [0,2,0,0,0,0|2,0,0]=4 10033 B17R1.9289 C/C(=C\c1ccccn1)/C(=O)NCCC(C)O 527a_200000755665_100025712827 [0,2,0,0,0,0|2,0,0]=4 10034 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C 11a_100000210545_100000066491 [0,2,0,0,0,0|1,0,1]=4 10035 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C 1626a_100000210545_100000066491 [0,2,0,0,0,0|1,0,1]=4 10036 B17R1.9289 CC(=O)CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011215641 [0,2,0,0,0,0|1,0,1]=4 10037 B17R1.9289 CC(=O)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215641 [0,2,0,0,0,0|1,0,1]=4 10038 B17R1.9289 CC(=O)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215641 [0,2,0,0,0,0|1,0,1]=4 10039 B17R1.9289 CC(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011214892 [0,2,0,0,0,0|1,0,0]=3 10040 B17R1.9289 CC(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011214892 [0,2,0,0,0,0|1,0,0]=3 10041 B17R1.9289 CC(C)CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011214892 [0,2,0,0,0,0|2,0,0]=4 10042 B17R1.9289 CC(C)CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011214892 [0,2,0,0,0,0|2,0,0]=4 10043 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210545_200020598536 [0,2,0,0,0,0|1,0,0]=3 10044 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000210545_200020598536 [0,2,0,0,0,0|1,0,0]=3 10045 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210545_200020598536 [0,2,0,0,0,0|1,0,0]=3 10046 B17R1.9289 CC(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210545_200020598536 [0,2,0,0,0,0|1,0,0]=3 10047 B17R1.9289 CC(C)CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000210545_100020889036 [0,2,0,0,0,0|1,0,0]=3 10048 B17R1.9289 CC(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000210545_100020889036 [0,2,0,0,0,0|1,0,0]=3 10049 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 11a_100000210545_100000731744 [0,2,0,0,0,0|2,0,0]=4 10050 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 240690a_100000210545_100000731744 [0,2,0,0,0,0|2,0,0]=4 10051 B17R1.9289 CC(C)CCNC(=O)C(=Cc1cccnc1)F 527a_100000210545_100000731744 [0,2,0,0,0,0|2,0,0]=4 10052 B17R1.9289 CC(C)CCNC(=O)C(=O)Nc1ccccc1 240690a_100000210545_100000738435 [0,2,0,0,0,0|2,0,0]=4 10053 B17R1.9289 CC(C)CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000696102_200020598536 [0,2,0,0,0,0|2,0,0]=4 10054 B17R1.9289 CC(C)CNNC(=O)/C(=C\c1ccccc1)/F 22a_100000696102_100020889036 [0,2,0,0,0,0|2,0,0]=4 10055 B17R1.9289 CC(C)OCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211751 [0,2,0,0,0,0|2,0,0]=4 10056 B17R1.9289 CC(C)OCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211751 [0,2,0,0,0,0|2,0,0]=4 10057 B17R1.9289 CC(C)SCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000730970 [0,2,0,0,0,0|2,0,0]=4 10058 B17R1.9289 CC(C)SCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000730970 [0,2,0,0,0,0|2,0,0]=4 10059 B17R1.9289 CC(O)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000718107 [0,2,0,0,0,0|1,0,0]=3 10060 B17R1.9289 CC(O)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000718107 [0,2,0,0,0,0|1,0,0]=3 10061 B17R1.9289 CC(O)CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000718107 [0,2,0,0,0,0|2,0,0]=4 10062 B17R1.9289 CC(O)CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000718107 [0,2,0,0,0,0|2,0,0]=4 10063 B17R1.9289 CC(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_200000755665_200020598536 [0,2,0,0,0,0|1,0,0]=3 10064 B17R1.9289 CC(O)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_200000755665_200020598536 [0,2,0,0,0,0|1,0,0]=3 10065 B17R1.9289 CC(O)CCNC(=O)/C(=C\c1ccccc1)/F 527a_200000755665_100020889036 [0,2,0,0,0,0|1,0,0]=3 10066 B17R1.9289 CC(O)CCNC(=O)C(=Cc1cccnc1)F 240690a_200000755665_100000731744 [0,2,0,0,0,0|2,0,0]=4 10067 B17R1.9289 CC(O)CCNC(=O)C(=Cc1cccnc1)F 527a_200000755665_100000731744 [0,2,0,0,0,0|2,0,0]=4 10068 B17R1.9289 CC(O)CCNC(=O)C(=O)Nc1ccccc1 240690a_200000755665_100000738435 [0,2,0,0,0,0|2,0,0]=4 10069 B17R1.9289 CC(O)CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_200000730056_200020598536 [0,2,0,0,0,0|2,0,0]=4 10070 B17R1.9289 CC(O)CNNC(=O)/C(=C\c1ccccc1)/F 22a_200000730056_100020889036 [0,2,0,0,0,0|2,0,0]=4 10071 B17R1.9289 CN(C)CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000695564 [0,2,0,0,0,0|2,0,0]=4 10072 B17R1.9289 CN(C)CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000695564 [0,2,0,0,0,0|2,0,0]=4 10073 B17R1.9289 CN(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210585_200020598536 [0,2,0,0,0,0|2,0,0]=4 10074 B17R1.9289 CN(C)CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210585_200020598536 [0,2,0,0,0,0|2,0,0]=4 10075 B17R1.9289 CN(C)CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000210585_100020889036 [0,2,0,0,0,0|2,0,0]=4 10076 B17R1.16221 CC(C)CCNS(=O)(=O)C=Cc1ccccc1 40a_100000210545_100011098038 [0,2,0,0,0,0|2,0,0]=4 10077 B17R1.16221 CC(O)CCNS(=O)(=O)C=Cc1ccccc1 40a_200000755665_100011098038 [0,2,0,0,0,0|2,0,0]=4 10078 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccc1 11a_100000692259_100000210462 [0,2,0,0,0,0|1,0,0]=3 10079 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccc1 1626a_100000692259_100000210462 [0,2,0,0,0,0|1,0,0]=3 10080 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccn1 11a_100000692259_100000740811 [0,2,0,0,0,0|2,0,0]=4 10081 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccccn1 240690a_100000692259_100000740811 [0,2,0,0,0,0|2,0,0]=4 10082 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1cccnc1 11a_100000692259_100000735890 [0,2,0,0,0,0|2,0,0]=4 10083 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1cccnc1 240690a_100000692259_100000735890 [0,2,0,0,0,0|2,0,0]=4 10084 B17R1.16524 CC(C)CC(C)NC(=O)C=Cc1ccncc1 240690a_100000692259_100000682801 [0,2,0,0,0,0|2,0,0]=4 10085 B17R1.16524 CC(CN(C)C)NC(=O)C=Cc1ccccc1 11a_100016992788_100000210462 [0,2,0,0,0,0|2,0,0]=4 10086 B17R1.16633 CC(C)C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210206 [0,2,0,0,0,0|1,0,1]=4 10087 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccc1 11a_100000759067_100000210462 [0,2,0,0,0,0|1,0,0]=3 10088 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccn1 11a_100000759067_100000740811 [0,2,0,0,0,0|2,0,0]=4 10089 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccccn1 240690a_100000759067_100000740811 [0,2,0,0,0,0|2,0,0]=4 10090 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1cccnc1 11a_100000759067_100000735890 [0,2,0,0,0,0|2,0,0]=4 10091 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1cccnc1 240690a_100000759067_100000735890 [0,2,0,0,0,0|2,0,0]=4 10092 B17R1.16633 CC(C)C(O)CNC(=O)C=Cc1ccncc1 240690a_100000759067_100000682801 [0,2,0,0,0,0|2,0,0]=4 10093 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccc1 11a_100000738805_100000210462 [0,2,0,0,0,0|1,0,0]=3 10094 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccc1 1626a_100000738805_100000210462 [0,2,0,0,0,0|1,0,0]=3 10095 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccn1 11a_100000738805_100000740811 [0,2,0,0,0,0|2,0,0]=4 10096 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccccn1 240690a_100000738805_100000740811 [0,2,0,0,0,0|2,0,0]=4 10097 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1cccnc1 11a_100000738805_100000735890 [0,2,0,0,0,0|2,0,0]=4 10098 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1cccnc1 240690a_100000738805_100000735890 [0,2,0,0,0,0|2,0,0]=4 10099 B17R1.40529 CC(C)(C)CCNC(=O)C=Cc1ccncc1 240690a_100000738805_100000682801 [0,2,0,0,0,0|2,0,0]=4 10100 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccc1 11a_100016253952_100000210462 [0,2,0,0,0,0|1,0,0]=3 10101 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccc1 1626a_100016253952_100000210462 [0,2,0,0,0,0|1,0,0]=3 10102 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccn1 11a_100016253952_100000740811 [0,2,0,0,0,0|2,0,0]=4 10103 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccccn1 240690a_100016253952_100000740811 [0,2,0,0,0,0|2,0,0]=4 10104 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1cccnc1 11a_100016253952_100000735890 [0,2,0,0,0,0|2,0,0]=4 10105 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1cccnc1 240690a_100016253952_100000735890 [0,2,0,0,0,0|2,0,0]=4 10106 B17R1.40529 CC(C)(F)CCNC(=O)C=Cc1ccncc1 240690a_100016253952_100000682801 [0,2,0,0,0,0|2,0,0]=4 10107 B17R1.40529 CC(C)(O)CCNC(=O)C=Cc1ccccc1 1626a_100000707701_100000210462 [0,2,0,0,0,0|1,0,0]=3 10108 B17R1.40529 CS(=O)(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754308 [0,2,0,0,0,0|2,0,0]=4 10109 B17R1.40529 CS(=O)(=O)CCNC(=O)C=Cc1ccccc1 11a_100000740961_100000210462 [0,2,0,0,0,0|2,0,0]=4 10110 B17R1.40529 CS(=O)(=O)CCNC(=O)C=Cc1ccccc1 1626a_100000740961_100000210462 [0,2,0,0,0,0|2,0,0]=4 10111 B17R1.40529 C[N+](C)(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100016990835 [0,2,0,0,0,0|2,0,0]=4 10112 B17R1.40529 C[N+](C)(C)CCNC(=O)C=Cc1ccccc1 1626a_100000106457_100000210462 [0,2,0,0,0,0|2,0,0]=4 10113 B17R1.40529 C[Si](C)(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011219597 [0,2,0,0,0,0|1,1,0]=4 10114 B17R1.40529 O=C(C=Cc1ccccc1)CCCC(F)(F)F 1458a_100000210462_100011216173 [0,2,0,0,0,0|2,0,0]=4 10115 B17R1.40529 O=C(C=Cc1ccccc1)NCCC(F)(F)F 11a_100000740434_100000210462 [0,2,0,0,0,0|2,0,0]=4 10116 B17R1.40529 O=C(C=Cc1ccccc1)NCCC(F)(F)F 1626a_100000740434_100000210462 [0,2,0,0,0,0|2,0,0]=4 10117 B17R1.1287 C#CCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100012094781 [0,2,0,0,0,0|1,0,0]=3 10118 B17R1.1287 C#CCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100012094781 [0,2,0,0,0,0|2,0,0]=4 10119 B17R1.1287 C#CCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100012094781 [0,2,0,0,0,0|2,0,0]=4 10120 B17R1.1287 C#CCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100012094781 [0,2,0,0,0,0|2,0,0]=4 10121 B17R1.1287 C#CCCCCNC(=O)C=Cc1ccccc1 11a_100000706060_100000210462 [0,2,0,0,0,0|1,0,0]=3 10122 B17R1.1287 C#CCCCCNC(=O)C=Cc1ccccc1 1626a_100000706060_100000210462 [0,2,0,0,0,0|1,0,0]=3 10123 B17R1.1287 C#CCCCCNC(=O)C=Cc1ccccn1 11a_100000706060_100000740811 [0,2,0,0,0,0|2,0,0]=4 10124 B17R1.1287 C#CCCCCNC(=O)C=Cc1ccccn1 240690a_100000706060_100000740811 [0,2,0,0,0,0|2,0,0]=4 10125 B17R1.1287 C#CCCCCNC(=O)C=Cc1cccnc1 11a_100000706060_100000735890 [0,2,0,0,0,0|2,0,0]=4 10126 B17R1.1287 C#CCCCCNC(=O)C=Cc1cccnc1 240690a_100000706060_100000735890 [0,2,0,0,0,0|2,0,0]=4 10127 B17R1.1287 C#CCCCCNC(=O)C=Cc1ccncc1 240690a_100000706060_100000682801 [0,2,0,0,0,0|2,0,0]=4 10128 B17R1.1287 C#CCOCCNC(=O)C=Cc1ccccc1 11a_100000700922_100000210462 [0,2,0,0,0,0|1,0,1]=4 10129 B17R1.1287 C#CCOCCNC(=O)C=Cc1ccccc1 1626a_100000700922_100000210462 [0,2,0,0,0,0|1,0,1]=4 10130 B17R1.1287 C=CCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000700193 [0,2,0,0,0,0|1,0,0]=3 10131 B17R1.1287 C=CCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000700193 [0,2,0,0,0,0|2,0,0]=4 10132 B17R1.1287 C=CCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000700193 [0,2,0,0,0,0|2,0,0]=4 10133 B17R1.1287 C=CCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000700193 [0,2,0,0,0,0|2,0,0]=4 10134 B17R1.1287 C=CCCCCNC(=O)C=Cc1ccccc1 11a_100000703577_100000210462 [0,2,0,0,0,0|1,0,0]=3 10135 B17R1.1287 C=CCCCCNC(=O)C=Cc1ccccc1 1626a_100000703577_100000210462 [0,2,0,0,0,0|1,0,0]=3 10136 B17R1.1287 C=CCCCCNC(=O)C=Cc1ccccn1 11a_100000703577_100000740811 [0,2,0,0,0,0|2,0,0]=4 10137 B17R1.1287 C=CCCCCNC(=O)C=Cc1ccccn1 240690a_100000703577_100000740811 [0,2,0,0,0,0|2,0,0]=4 10138 B17R1.1287 C=CCCCCNC(=O)C=Cc1cccnc1 11a_100000703577_100000735890 [0,2,0,0,0,0|2,0,0]=4 10139 B17R1.1287 C=CCCCCNC(=O)C=Cc1cccnc1 240690a_100000703577_100000735890 [0,2,0,0,0,0|2,0,0]=4 10140 B17R1.1287 C=CCCCCNC(=O)C=Cc1ccncc1 240690a_100000703577_100000682801 [0,2,0,0,0,0|2,0,0]=4 10141 B17R1.1287 C=COCCCNC(=O)C=Cc1ccccc1 11a_100000210767_100000210462 [0,2,0,0,0,0|1,0,1]=4 10142 B17R1.1287 C=COCCCNC(=O)C=Cc1ccccc1 1626a_100000210767_100000210462 [0,2,0,0,0,0|1,0,1]=4 10143 B17R1.1287 CCCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210614 [0,2,0,0,0,0|1,0,0]=3 10144 B17R1.1287 CCCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210614 [0,2,0,0,0,0|2,0,0]=4 10145 B17R1.1287 CCCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210614 [0,2,0,0,0,0|2,0,0]=4 10146 B17R1.1287 CCCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210614 [0,2,0,0,0,0|2,0,0]=4 10147 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccc1 11a_100000210581_100000210462 [0,2,0,0,0,0|1,0,0]=3 10148 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccc1 1626a_100000210581_100000210462 [0,2,0,0,0,0|1,0,0]=3 10149 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccn1 11a_100000210581_100000740811 [0,2,0,0,0,0|2,0,0]=4 10150 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccn1 240690a_100000210581_100000740811 [0,2,0,0,0,0|2,0,0]=4 10151 B17R1.1287 CCCCCCNC(=O)C=Cc1cccnc1 11a_100000210581_100000735890 [0,2,0,0,0,0|2,0,0]=4 10152 B17R1.1287 CCCCCCNC(=O)C=Cc1cccnc1 240690a_100000210581_100000735890 [0,2,0,0,0,0|2,0,0]=4 10153 B17R1.1287 CCCCCCNC(=O)C=Cc1ccncc1 240690a_100000210581_100000682801 [0,2,0,0,0,0|2,0,0]=4 10154 B17R1.1287 CCCCCNN=C(C)C=Cc1ccccc1 4a_100000694160_100000204604 [0,2,0,0,0,0|2,0,0]=4 10155 B17R1.1287 CCCCCNNC(=O)C=Cc1ccccc1 22a_100000694160_100000210462 [0,2,0,0,0,0|1,0,0]=3 10156 B17R1.1287 CCCCCNNC(=O)C=Cc1ccccn1 22a_100000694160_100000740811 [0,2,0,0,0,0|2,0,0]=4 10157 B17R1.1287 CCCCCNNC(=O)C=Cc1cccnc1 22a_100000694160_100000735890 [0,2,0,0,0,0|2,0,0]=4 10158 B17R1.1287 CCCCCNNC(=O)C=Cc1ccncc1 22a_100000694160_100000682801 [0,2,0,0,0,0|2,0,0]=4 10159 B17R1.1287 CCCCCOCC(=O)CCc1ccccc1 34a_100000210253_100012361361 [0,2,0,0,0,0|0,0,2]=4 10160 B17R1.1287 CCCCCOCC(=O)CCc1ccccc1 7a_100000210253_100012361361 [0,2,0,0,0,0|0,0,2]=4 10161 B17R1.1287 CCCCCOCC(=O)NCc1ccccc1 34a_100000210253_100000183539 [0,2,0,0,0,0|1,0,1]=4 10162 B17R1.1287 CCCCCOCC(=O)NCc1ccccc1 7a_100000210253_100000183539 [0,2,0,0,0,0|1,0,1]=4 10163 B17R1.1287 CCCCCOCC(=O)OCc1ccccc1 34a_100000210253_100000753625 [0,2,0,0,0,0|1,0,1]=4 10164 B17R1.1287 CCCCCOCC(=O)OCc1ccccc1 7a_100000210253_100000753625 [0,2,0,0,0,0|1,0,1]=4 10165 B17R1.1287 CCCCOCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000743108 [0,2,0,0,0,0|0,0,2]=4 10166 B17R1.1287 CCCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000743108 [0,2,0,0,0,0|0,0,0]=2 10167 B17R1.1287 CCCCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000743108 [0,2,0,0,0,0|1,0,0]=3 10168 B17R1.1287 CCCCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000743108 [0,2,0,0,0,0|1,0,0]=3 10169 B17R1.1287 CCCCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000743108 [0,2,0,0,0,0|1,0,0]=3 10170 B17R1.1287 CCCCOCCC(=O)CCc1ccccc1 1458a_100000185753_100000743108 [0,2,0,0,0,0|0,0,2]=4 10171 B17R1.1287 CCCCOCCC(=O)COc1ccccc1 1458a_100000186222_100000743108 [0,2,0,0,0,0|1,0,1]=4 10172 B17R1.1287 CCCCOCCC(=O)CSc1ccccc1 1458a_100000211596_100000743108 [0,2,0,0,0,0|1,0,1]=4 10173 B17R1.1287 CCCCOCCC(=O)OCc1ccccc1 7a_100000210227_100009813219 [0,2,0,0,0,0|1,0,1]=4 10174 B17R1.1287 CCCCOCCC(=O)OCc1ccccc1 7a_100009831632_100000210211 [0,2,0,0,0,0|1,0,1]=4 10175 B17R1.1287 CCCOCCNC(=O)C=Cc1ccccc1 1626a_100161115042_100000210462 [0,2,0,0,0,0|1,0,0]=3 10176 B17R1.1287 CCCOCCNC(=O)C=Cc1ccccn1 240690a_100161115042_100000740811 [0,2,0,0,0,0|2,0,0]=4 10177 B17R1.1287 CCCOCCNC(=O)C=Cc1cccnc1 240690a_100161115042_100000735890 [0,2,0,0,0,0|2,0,0]=4 10178 B17R1.1287 CCCOCCNC(=O)C=Cc1ccncc1 240690a_100161115042_100000682801 [0,2,0,0,0,0|2,0,0]=4 10179 B17R1.1287 CCCSCCNC(=O)C=Cc1ccccc1 11a_100020603323_100000210462 [0,2,0,0,0,0|1,0,0]=3 10180 B17R1.1287 CCCSCCNC(=O)C=Cc1ccccn1 11a_100020603323_100000740811 [0,2,0,0,0,0|2,0,0]=4 10181 B17R1.1287 CCCSCCNC(=O)C=Cc1ccccn1 240690a_100020603323_100000740811 [0,2,0,0,0,0|2,0,0]=4 10182 B17R1.1287 CCCSCCNC(=O)C=Cc1cccnc1 11a_100020603323_100000735890 [0,2,0,0,0,0|2,0,0]=4 10183 B17R1.1287 CCCSCCNC(=O)C=Cc1cccnc1 240690a_100020603323_100000735890 [0,2,0,0,0,0|2,0,0]=4 10184 B17R1.1287 CCCSCCNC(=O)C=Cc1ccncc1 240690a_100020603323_100000682801 [0,2,0,0,0,0|2,0,0]=4 10185 B17R1.1287 CCOCCCNC(=O)C=Cc1ccccc1 11a_100000210961_100000210462 [0,2,0,0,0,0|1,0,0]=3 10186 B17R1.1287 CCOCCCNC(=O)C=Cc1ccccc1 1626a_100000210961_100000210462 [0,2,0,0,0,0|1,0,0]=3 10187 B17R1.1287 CCOCCCNC(=O)C=Cc1ccccn1 11a_100000210961_100000740811 [0,2,0,0,0,0|2,0,0]=4 10188 B17R1.1287 CCOCCCNC(=O)C=Cc1ccccn1 240690a_100000210961_100000740811 [0,2,0,0,0,0|2,0,0]=4 10189 B17R1.1287 CCOCCCNC(=O)C=Cc1cccnc1 11a_100000210961_100000735890 [0,2,0,0,0,0|2,0,0]=4 10190 B17R1.1287 CCOCCCNC(=O)C=Cc1cccnc1 240690a_100000210961_100000735890 [0,2,0,0,0,0|2,0,0]=4 10191 B17R1.1287 CCOCCCNC(=O)C=Cc1ccncc1 240690a_100000210961_100000682801 [0,2,0,0,0,0|2,0,0]=4 10192 B17R1.1287 CCOCCNN=C(C)C=Cc1ccccc1 4a_100000732670_100000204604 [0,2,0,0,0,0|2,0,0]=4 10193 B17R1.1287 CCOCCNNC(=O)C=Cc1ccccc1 22a_100000732670_100000210462 [0,2,0,0,0,0|1,0,0]=3 10194 B17R1.1287 CCOCCNNC(=O)C=Cc1ccccn1 22a_100000732670_100000740811 [0,2,0,0,0,0|2,0,0]=4 10195 B17R1.1287 CCOCCNNC(=O)C=Cc1cccnc1 22a_100000732670_100000735890 [0,2,0,0,0,0|2,0,0]=4 10196 B17R1.1287 CCOCCNNC(=O)C=Cc1ccncc1 22a_100000732670_100000682801 [0,2,0,0,0,0|2,0,0]=4 10197 B17R1.1287 CCOCCOCC(=O)CCc1ccccc1 34a_100000210136_100012361361 [0,2,0,0,0,0|0,0,2]=4 10198 B17R1.1287 CCOCCOCC(=O)CCc1ccccc1 7a_100000210136_100012361361 [0,2,0,0,0,0|0,0,2]=4 10199 B17R1.1287 CCOCCOCC(=O)NCc1ccccc1 34a_100000210136_100000183539 [0,2,0,0,0,0|1,0,1]=4 10200 B17R1.1287 CCOCCOCC(=O)NCc1ccccc1 7a_100000210136_100000183539 [0,2,0,0,0,0|1,0,1]=4 10201 B17R1.1287 CCOCCOCC(=O)OCc1ccccc1 34a_100000210136_100000753625 [0,2,0,0,0,0|1,0,1]=4 10202 B17R1.1287 CCOCCOCC(=O)OCc1ccccc1 7a_100000210136_100000753625 [0,2,0,0,0,0|1,0,1]=4 10203 B17R1.1287 CCSCCOCC(=O)CCc1ccccc1 34a_100000212035_100012361361 [0,2,0,0,0,0|0,0,2]=4 10204 B17R1.1287 CCSCCOCC(=O)CCc1ccccc1 7a_100000212035_100012361361 [0,2,0,0,0,0|0,0,2]=4 10205 B17R1.1287 CCSCCOCC(=O)NCc1ccccc1 34a_100000212035_100000183539 [0,2,0,0,0,0|1,0,1]=4 10206 B17R1.1287 CCSCCOCC(=O)NCc1ccccc1 7a_100000212035_100000183539 [0,2,0,0,0,0|1,0,1]=4 10207 B17R1.1287 CCSCCOCC(=O)OCc1ccccc1 34a_100000212035_100000753625 [0,2,0,0,0,0|1,0,1]=4 10208 B17R1.1287 CCSCCOCC(=O)OCc1ccccc1 7a_100000212035_100000753625 [0,2,0,0,0,0|1,0,1]=4 10209 B17R1.1287 CNCCCOCC(=O)CCc1ccccc1 34a_100000213112_100012361361 [0,2,0,0,0,0|0,0,2]=4 10210 B17R1.1287 CNCCCOCC(=O)NCc1ccccc1 34a_100000213112_100000183539 [0,2,0,0,0,0|1,0,1]=4 10211 B17R1.1287 CNCCCOCC(=O)OCc1ccccc1 34a_100000213112_100000753625 [0,2,0,0,0,0|1,0,1]=4 10212 B17R1.1287 COCCCNNC(=O)C=Cc1ccccc1 22a_100025702787_100000210462 [0,2,0,0,0,0|1,0,0]=3 10213 B17R1.1287 COCCCNNC(=O)C=Cc1ccccn1 22a_100025702787_100000740811 [0,2,0,0,0,0|2,0,0]=4 10214 B17R1.1287 COCCCNNC(=O)C=Cc1cccnc1 22a_100025702787_100000735890 [0,2,0,0,0,0|2,0,0]=4 10215 B17R1.1287 COCCCNNC(=O)C=Cc1ccncc1 22a_100025702787_100000682801 [0,2,0,0,0,0|2,0,0]=4 10216 B17R1.1287 COCCCOCC(=O)CCc1ccccc1 34a_100000740835_100012361361 [0,2,0,0,0,0|0,0,2]=4 10217 B17R1.1287 COCCCOCC(=O)NCc1ccccc1 34a_100000740835_100000183539 [0,2,0,0,0,0|1,0,1]=4 10218 B17R1.1287 COCCCOCC(=O)OCc1ccccc1 34a_100000740835_100000753625 [0,2,0,0,0,0|1,0,1]=4 10219 B17R1.1287 COCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000695917 [0,2,0,0,0,0|1,0,0]=3 10220 B17R1.1287 COCCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000695917 [0,2,0,0,0,0|2,0,0]=4 10221 B17R1.1287 COCCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000695917 [0,2,0,0,0,0|2,0,0]=4 10222 B17R1.1287 COCCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000695917 [0,2,0,0,0,0|2,0,0]=4 10223 B17R1.1287 CSCCCOCC(=O)CCc1ccccc1 34a_100000690336_100012361361 [0,2,0,0,0,0|0,0,2]=4 10224 B17R1.1287 CSCCCOCC(=O)CCc1ccccc1 7a_100000690336_100012361361 [0,2,0,0,0,0|0,0,2]=4 10225 B17R1.1287 CSCCCOCC(=O)NCc1ccccc1 34a_100000690336_100000183539 [0,2,0,0,0,0|1,0,1]=4 10226 B17R1.1287 CSCCCOCC(=O)NCc1ccccc1 7a_100000690336_100000183539 [0,2,0,0,0,0|1,0,1]=4 10227 B17R1.1287 CSCCCOCC(=O)OCc1ccccc1 34a_100000690336_100000753625 [0,2,0,0,0,0|1,0,1]=4 10228 B17R1.1287 CSCCCOCC(=O)OCc1ccccc1 7a_100000690336_100000753625 [0,2,0,0,0,0|1,0,1]=4 10229 B17R1.1287 N#CCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100009813376 [0,2,0,0,0,0|1,0,0]=3 10230 B17R1.1287 N#CCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100009813376 [0,2,0,0,0,0|2,0,0]=4 10231 B17R1.1287 N#CCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100009813376 [0,2,0,0,0,0|2,0,0]=4 10232 B17R1.1287 N#CCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100009813376 [0,2,0,0,0,0|2,0,0]=4 10233 B17R1.1287 N#CCCCCNC(=O)C=Cc1ccccc1 11a_100000751965_100000210462 [0,2,0,0,0,0|1,0,0]=3 10234 B17R1.1287 N#CCCCCNC(=O)C=Cc1ccccc1 1626a_100000751965_100000210462 [0,2,0,0,0,0|1,0,0]=3 10235 B17R1.1287 N#CCCCCNC(=O)C=Cc1ccccn1 11a_100000751965_100000740811 [0,2,0,0,0,0|2,0,0]=4 10236 B17R1.1287 N#CCCCCNC(=O)C=Cc1ccccn1 240690a_100000751965_100000740811 [0,2,0,0,0,0|2,0,0]=4 10237 B17R1.1287 N#CCCCCNC(=O)C=Cc1cccnc1 11a_100000751965_100000735890 [0,2,0,0,0,0|2,0,0]=4 10238 B17R1.1287 N#CCCCCNC(=O)C=Cc1cccnc1 240690a_100000751965_100000735890 [0,2,0,0,0,0|2,0,0]=4 10239 B17R1.1287 N#CCCCCNC(=O)C=Cc1ccncc1 240690a_100000751965_100000682801 [0,2,0,0,0,0|2,0,0]=4 10240 B17R1.1287 NCCCCOCC(=O)CCc1ccccc1 34a_100000750430_100012361361 [0,2,0,0,0,0|0,0,2]=4 10241 B17R1.1287 NCCCCOCC(=O)NCc1ccccc1 34a_100000750430_100000183539 [0,2,0,0,0,0|1,0,1]=4 10242 B17R1.1287 NCCCCOCC(=O)OCc1ccccc1 34a_100000750430_100000753625 [0,2,0,0,0,0|1,0,1]=4 10243 B17R1.1287 O=C(C=Cc1ccccc1)CCCCCCF 1458a_100000210462_100015922095 [0,2,0,0,0,0|1,0,0]=3 10244 B17R1.1287 O=C(C=Cc1ccccc1)CCCCCCO 1458a_100000210462_100000766143 [0,2,0,0,0,0|1,0,0]=3 10245 B17R1.1287 O=C(C=Cc1ccccn1)CCCCCCF 1458a_100000740811_100015922095 [0,2,0,0,0,0|2,0,0]=4 10246 B17R1.1287 O=C(C=Cc1ccccn1)CCCCCCO 1458a_100000740811_100000766143 [0,2,0,0,0,0|2,0,0]=4 10247 B17R1.1287 O=C(C=Cc1ccccn1)NCCCCCO 240690a_100000762737_100000740811 [0,2,0,0,0,0|2,0,0]=4 10248 B17R1.1287 O=C(C=Cc1ccccn1)NCCOCCO 240690a_100000211614_100000740811 [0,2,0,0,0,0|2,0,0]=4 10249 B17R1.1287 O=C(C=Cc1ccccn1)NCCSCCO 240690a_100011219999_100000740811 [0,2,0,0,0,0|2,0,0]=4 10250 B17R1.1287 O=C(C=Cc1cccnc1)CCCCCCF 1458a_100000735890_100015922095 [0,2,0,0,0,0|2,0,0]=4 10251 B17R1.1287 O=C(C=Cc1cccnc1)CCCCCCO 1458a_100000735890_100000766143 [0,2,0,0,0,0|2,0,0]=4 10252 B17R1.1287 O=C(C=Cc1cccnc1)NCCCCCO 240690a_100000762737_100000735890 [0,2,0,0,0,0|2,0,0]=4 10253 B17R1.1287 O=C(C=Cc1cccnc1)NCCOCCO 240690a_100000211614_100000735890 [0,2,0,0,0,0|2,0,0]=4 10254 B17R1.1287 O=C(C=Cc1cccnc1)NCCSCCO 240690a_100011219999_100000735890 [0,2,0,0,0,0|2,0,0]=4 10255 B17R1.1287 O=C(C=Cc1ccncc1)CCCCCCF 1458a_100000682801_100015922095 [0,2,0,0,0,0|2,0,0]=4 10256 B17R1.1287 O=C(C=Cc1ccncc1)CCCCCCO 1458a_100000682801_100000766143 [0,2,0,0,0,0|2,0,0]=4 10257 B17R1.1287 O=C(C=Cc1ccncc1)NCCCCCO 240690a_100000762737_100000682801 [0,2,0,0,0,0|2,0,0]=4 10258 B17R1.1287 O=C(C=Cc1ccncc1)NCCOCCO 240690a_100000211614_100000682801 [0,2,0,0,0,0|2,0,0]=4 10259 B17R1.1287 O=C(C=Cc1ccncc1)NCCSCCO 240690a_100011219999_100000682801 [0,2,0,0,0,0|2,0,0]=4 10260 B17R1.1287 O=C(CCc1ccccc1)COCCCCBr 34a_100011216708_100012361361 [0,2,0,0,0,0|0,0,2]=4 10261 B17R1.1287 O=C(CCc1ccccc1)COCCCCCl 34a_100000210776_100012361361 [0,2,0,0,0,0|0,0,2]=4 10262 B17R1.1287 O=C(CCc1ccccc1)COCCCCCl 7a_100000210776_100012361361 [0,2,0,0,0,0|0,0,2]=4 10263 B17R1.1287 O=C(CCc1ccccc1)COCCCCF 34a_100011995726_100012361361 [0,2,0,0,0,0|0,0,2]=4 10264 B17R1.1287 O=C(CCc1ccccc1)COCCCCF 7a_100011995726_100012361361 [0,2,0,0,0,0|0,0,2]=4 10265 B17R1.1287 O=C(CCc1ccccc1)COCCCCI 34a_200012148704_100012361361 [0,2,0,0,0,0|0,0,2]=4 10266 B17R1.1287 O=C(COCCCCBr)NCc1ccccc1 34a_100011216708_100000183539 [0,2,0,0,0,0|1,0,1]=4 10267 B17R1.1287 O=C(COCCCCBr)OCc1ccccc1 34a_100011216708_100000753625 [0,2,0,0,0,0|1,0,1]=4 10268 B17R1.1287 O=C(COCCCCCl)NCc1ccccc1 34a_100000210776_100000183539 [0,2,0,0,0,0|1,0,1]=4 10269 B17R1.1287 O=C(COCCCCCl)NCc1ccccc1 7a_100000210776_100000183539 [0,2,0,0,0,0|1,0,1]=4 10270 B17R1.1287 O=C(COCCCCCl)OCc1ccccc1 34a_100000210776_100000753625 [0,2,0,0,0,0|1,0,1]=4 10271 B17R1.1287 O=C(COCCCCCl)OCc1ccccc1 7a_100000210776_100000753625 [0,2,0,0,0,0|1,0,1]=4 10272 B17R1.1287 O=C(COCCCCF)NCc1ccccc1 34a_100011995726_100000183539 [0,2,0,0,0,0|1,0,1]=4 10273 B17R1.1287 O=C(COCCCCF)NCc1ccccc1 7a_100011995726_100000183539 [0,2,0,0,0,0|1,0,1]=4 10274 B17R1.1287 O=C(COCCCCF)OCc1ccccc1 34a_100011995726_100000753625 [0,2,0,0,0,0|1,0,1]=4 10275 B17R1.1287 O=C(COCCCCF)OCc1ccccc1 7a_100011995726_100000753625 [0,2,0,0,0,0|1,0,1]=4 10276 B17R1.1287 O=C(COCCCCI)NCc1ccccc1 34a_200012148704_100000183539 [0,2,0,0,0,0|1,0,1]=4 10277 B17R1.1287 O=C(COCCCCI)OCc1ccccc1 34a_200012148704_100000753625 [0,2,0,0,0,0|1,0,1]=4 10278 B17R1.1324 CC(=O)CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000735457 [0,2,0,0,0,0|1,0,0]=3 10279 B17R1.1324 CC(=O)CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000735457 [0,2,0,0,0,0|2,0,0]=4 10280 B17R1.1324 CC(=O)CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000735457 [0,2,0,0,0,0|2,0,0]=4 10281 B17R1.1324 CC(=O)CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000735457 [0,2,0,0,0,0|2,0,0]=4 10282 B17R1.1324 CC(=O)OCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000042594 [0,2,0,0,0,0|1,0,1]=4 10283 B17R1.1324 CC(=O)OCCNC(=O)C=Cc1ccccc1 11a_100000724843_100000210462 [0,2,0,0,0,0|1,0,1]=4 10284 B17R1.1324 CC(=O)SCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000038929 [0,2,0,0,0,0|1,0,1]=4 10285 B17R1.1324 CC(=O)SCCNC(=O)C=Cc1ccccc1 11a_100020647217_100000210462 [0,2,0,0,0,0|1,0,1]=4 10286 B17R1.1324 CC(=S)OCCCC(=O)C=Cc1ccccc1 1458a_100000210462_200135323944 [0,2,0,0,0,0|1,0,1]=4 10287 B17R1.1324 CC(Br)CCOCC(=O)CCc1ccccc1 34a_100009893172_100012361361 [0,2,0,0,0,0|0,0,2]=4 10288 B17R1.1324 CC(Br)CCOCC(=O)NCc1ccccc1 34a_100009893172_100000183539 [0,2,0,0,0,0|1,0,1]=4 10289 B17R1.1324 CC(Br)CCOCC(=O)OCc1ccccc1 34a_100009893172_100000753625 [0,2,0,0,0,0|1,0,1]=4 10290 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011216152 [0,2,0,0,0,0|1,0,0]=3 10291 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011216152 [0,2,0,0,0,0|2,0,0]=4 10292 B17R1.1324 CC(C)CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011216152 [0,2,0,0,0,0|2,0,0]=4 10293 B17R1.1324 CC(C)CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011216152 [0,2,0,0,0,0|2,0,0]=4 10294 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccc1 11a_200000737386_100000210462 [0,2,0,0,0,0|1,0,0]=3 10295 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccc1 1626a_200000737386_100000210462 [0,2,0,0,0,0|1,0,0]=3 10296 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccn1 11a_200000737386_100000740811 [0,2,0,0,0,0|2,0,0]=4 10297 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccccn1 240690a_200000737386_100000740811 [0,2,0,0,0,0|2,0,0]=4 10298 B17R1.1324 CC(C)CCCNC(=O)C=Cc1cccnc1 11a_200000737386_100000735890 [0,2,0,0,0,0|2,0,0]=4 10299 B17R1.1324 CC(C)CCCNC(=O)C=Cc1cccnc1 240690a_200000737386_100000735890 [0,2,0,0,0,0|2,0,0]=4 10300 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccncc1 240690a_200000737386_100000682801 [0,2,0,0,0,0|2,0,0]=4 10301 B17R1.1324 CC(C)CCOCC(=O)CCc1ccccc1 34a_100000210254_100012361361 [0,2,0,0,0,0|0,0,2]=4 10302 B17R1.1324 CC(C)CCOCC(=O)CCc1ccccc1 7a_100000210254_100012361361 [0,2,0,0,0,0|0,0,2]=4 10303 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccc1 34a_100000210254_100000183539 [0,2,0,0,0,0|1,0,1]=4 10304 B17R1.1324 CC(C)CCOCC(=O)NCc1ccccc1 7a_100000210254_100000183539 [0,2,0,0,0,0|1,0,1]=4 10305 B17R1.1324 CC(C)CCOCC(=O)OCc1ccccc1 34a_100000210254_100000753625 [0,2,0,0,0,0|1,0,1]=4 10306 B17R1.1324 CC(C)CCOCC(=O)OCc1ccccc1 7a_100000210254_100000753625 [0,2,0,0,0,0|1,0,1]=4 10307 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccc1 11a_100000701111_100000210462 [0,2,0,0,0,0|1,0,0]=3 10308 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccc1 1626a_100000701111_100000210462 [0,2,0,0,0,0|1,0,0]=3 10309 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccn1 11a_100000701111_100000740811 [0,2,0,0,0,0|2,0,0]=4 10310 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccccn1 240690a_100000701111_100000740811 [0,2,0,0,0,0|2,0,0]=4 10311 B17R1.1324 CC(C)OCCNC(=O)C=Cc1cccnc1 11a_100000701111_100000735890 [0,2,0,0,0,0|2,0,0]=4 10312 B17R1.1324 CC(C)OCCNC(=O)C=Cc1cccnc1 240690a_100000701111_100000735890 [0,2,0,0,0,0|2,0,0]=4 10313 B17R1.1324 CC(C)OCCNC(=O)C=Cc1ccncc1 240690a_100000701111_100000682801 [0,2,0,0,0,0|2,0,0]=4 10314 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccc1 11a_100000731138_100000210462 [0,2,0,0,0,0|1,0,0]=3 10315 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccc1 1626a_100000731138_100000210462 [0,2,0,0,0,0|1,0,0]=3 10316 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccn1 11a_100000731138_100000740811 [0,2,0,0,0,0|2,0,0]=4 10317 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccccn1 240690a_100000731138_100000740811 [0,2,0,0,0,0|2,0,0]=4 10318 B17R1.1324 CC(C)SCCNC(=O)C=Cc1cccnc1 11a_100000731138_100000735890 [0,2,0,0,0,0|2,0,0]=4 10319 B17R1.1324 CC(C)SCCNC(=O)C=Cc1cccnc1 240690a_100000731138_100000735890 [0,2,0,0,0,0|2,0,0]=4 10320 B17R1.1324 CC(C)SCCNC(=O)C=Cc1ccncc1 240690a_100000731138_100000682801 [0,2,0,0,0,0|2,0,0]=4 10321 B17R1.1324 CN(C)CCCNC(=O)C=Cc1ccccn1 240690a_102531767803_100000740811 [0,2,0,0,0,0|2,0,0]=4 10322 B17R1.1324 CN(C)CCCNC(=O)C=Cc1cccnc1 240690a_102531767803_100000735890 [0,2,0,0,0,0|2,0,0]=4 10323 B17R1.1324 CN(C)CCCNC(=O)C=Cc1ccncc1 240690a_102531767803_100000682801 [0,2,0,0,0,0|2,0,0]=4 10324 B17R1.1324 CN(C)CCNNC(=O)C=Cc1ccccc1 22a_100000738145_100000210462 [0,2,0,0,0,0|2,0,0]=4 10325 B17R1.1324 CS(=O)CCCNC(=O)C=Cc1ccccc1 11a_200000753449_100000210462 [0,2,0,0,0,0|1,0,0]=3 10326 B17R1.1324 CS(=O)CCCNC(=O)C=Cc1ccccn1 11a_200000753449_100000740811 [0,2,0,0,0,0|2,0,0]=4 10327 B17R1.1324 CS(=O)CCCNC(=O)C=Cc1ccccn1 240690a_200000753449_100000740811 [0,2,0,0,0,0|2,0,0]=4 10328 B17R1.1324 CS(=O)CCCNC(=O)C=Cc1cccnc1 11a_200000753449_100000735890 [0,2,0,0,0,0|2,0,0]=4 10329 B17R1.1324 CS(=O)CCCNC(=O)C=Cc1cccnc1 240690a_200000753449_100000735890 [0,2,0,0,0,0|2,0,0]=4 10330 B17R1.1324 CS(=O)CCCNC(=O)C=Cc1ccncc1 240690a_200000753449_100000682801 [0,2,0,0,0,0|2,0,0]=4 10331 B17R1.1324 C[C@@H](N)CCOCC(=O)CCc1ccccc1 34a_100000706166_100012361361 [0,2,0,0,0,0|0,0,2]=4 10332 B17R1.1324 C[C@@H](N)CCOCC(=O)NCc1ccccc1 34a_100000706166_100000183539 [0,2,0,0,0,0|1,0,1]=4 10333 B17R1.1324 C[C@@H](N)CCOCC(=O)OCc1ccccc1 34a_100000706166_100000753625 [0,2,0,0,0,0|1,0,1]=4 10334 B17R1.1324 O=C(C=Cc1ccccc1)CCCCB(O)O 1458a_100000210462_200009817182 [0,2,0,0,0,0|2,0,0]=4 10335 B17R1.1324 O=C(C=Cc1ccccc1)CCOCC(F)F 1458a_100000210462_200012177212 [0,2,0,0,0,0|2,0,0]=4 10336 B17R1.1448 C#CCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100010269958 [0,2,0,0,0,0|1,0,1]=4 10337 B17R1.1448 C#CCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100010269958 [0,2,0,0,0,0|1,0,1]=4 10338 B17R1.1448 C#CCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100010269958 [0,2,0,0,0,0|1,0,1]=4 10339 B17R1.1448 C#CCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000718082_100016990649 [0,2,0,0,0,0|1,0,1]=4 10340 B17R1.1448 C#CCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000718082_100016990649 [0,2,0,0,0,0|1,0,1]=4 10341 B17R1.1448 C#CCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000718082_100016990649 [0,2,0,0,0,0|1,0,1]=4 10342 B17R1.1448 C#CCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000718082_200020598536 [0,2,0,0,0,0|1,0,1]=4 10343 B17R1.1448 C#CCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000718082_200020598536 [0,2,0,0,0,0|1,0,1]=4 10344 B17R1.1448 C#CCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000718082_200020598536 [0,2,0,0,0,0|1,0,1]=4 10345 B17R1.1448 C#CCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000718082_200020598536 [0,2,0,0,0,0|1,0,1]=4 10346 B17R1.1448 C#CCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000718082_100020889036 [0,2,0,0,0,0|1,0,1]=4 10347 B17R1.1448 C#CCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000718082_100020889036 [0,2,0,0,0,0|1,0,1]=4 10348 B17R1.1448 C/C(=C\c1ccccc1)/C(=O)CCCCC#N 1458a_100016990649_100000211819 [0,2,0,0,0,0|1,0,1]=4 10349 B17R1.1448 C/C(=C\c1ccccc1)/C(=O)CCCCCF 1458a_100016990649_100000729378 [0,2,0,0,0,0|1,0,0]=3 10350 B17R1.1448 C/C(=C\c1ccccc1)/C(=O)CCCCCO 1458a_100016990649_100000746330 [0,2,0,0,0,0|1,0,0]=3 10351 B17R1.1448 C/C(=C\c1ccccc1)/C(=O)CCOCCO 1458a_100016990649_100011215305 [0,2,0,0,0,0|2,0,0]=4 10352 B17R1.1448 C/C(=C\c1ccccc1)/C(=O)NCCCCO 527a_100000750430_100016990649 [0,2,0,0,0,0|1,0,0]=3 10353 B17R1.1448 C/C(=C\c1ccccn1)/C(=O)CCCCCF 1458a_100025712827_100000729378 [0,2,0,0,0,0|2,0,0]=4 10354 B17R1.1448 C/C(=C\c1ccccn1)/C(=O)CCCCCO 1458a_100025712827_100000746330 [0,2,0,0,0,0|2,0,0]=4 10355 B17R1.1448 C/C(=C\c1ccccn1)/C(=O)NCCCCO 527a_100000750430_100025712827 [0,2,0,0,0,0|2,0,0]=4 10356 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCCC 11a_100000209983_100000066491 [0,2,0,0,0,0|1,0,1]=4 10357 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCCC 1626a_100000209983_100000066491 [0,2,0,0,0,0|1,0,1]=4 10358 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCOC 1626a_100150723488_100000066491 [0,2,0,0,0,0|1,0,1]=4 10359 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCSC 11a_100000749238_100000066491 [0,2,0,0,0,0|1,0,1]=4 10360 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCCSC 1626a_100000749238_100000066491 [0,2,0,0,0,0|1,0,1]=4 10361 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCOCC 11a_100011200944_100000066491 [0,2,0,0,0,0|1,0,1]=4 10362 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCOCC 1626a_102516460346_100000066491 [0,2,0,0,0,0|1,0,1]=4 10363 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCSCC 11a_100000106463_100000066491 [0,2,0,0,0,0|1,0,1]=4 10364 B17R1.1448 C=C(Cc1ccccc1)C(=O)NCCSCC 1626a_100000106463_100000066491 [0,2,0,0,0,0|1,0,1]=4 10365 B17R1.1448 C=C(Cc1ccccc1)C(=O)NNCCCC 22a_100025702795_100000066491 [0,2,0,0,0,0|1,0,1]=4 10366 B17R1.1448 C=CCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011215482 [0,2,0,0,0,0|1,0,1]=4 10367 B17R1.1448 C=CCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215482 [0,2,0,0,0,0|1,0,1]=4 10368 B17R1.1448 C=CCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215482 [0,2,0,0,0,0|1,0,1]=4 10369 B17R1.1448 C=CCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000700776_100016990649 [0,2,0,0,0,0|1,0,1]=4 10370 B17R1.1448 C=CCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000700776_100016990649 [0,2,0,0,0,0|1,0,1]=4 10371 B17R1.1448 C=CCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000700776_100016990649 [0,2,0,0,0,0|1,0,1]=4 10372 B17R1.1448 C=CCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000700776_200020598536 [0,2,0,0,0,0|1,0,1]=4 10373 B17R1.1448 C=CCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000700776_200020598536 [0,2,0,0,0,0|1,0,1]=4 10374 B17R1.1448 C=CCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000700776_200020598536 [0,2,0,0,0,0|1,0,1]=4 10375 B17R1.1448 C=CCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000700776_200020598536 [0,2,0,0,0,0|1,0,1]=4 10376 B17R1.1448 C=CCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000700776_100020889036 [0,2,0,0,0,0|1,0,1]=4 10377 B17R1.1448 C=CCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000700776_100020889036 [0,2,0,0,0,0|1,0,1]=4 10378 B17R1.1448 CC/C=C\CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100015370543 [0,2,0,0,0,0|1,0,1]=4 10379 B17R1.1448 CC/C=C\CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015370543 [0,2,0,0,0,0|1,0,1]=4 10380 B17R1.1448 CC/C=C\CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100015370543 [0,2,0,0,0,0|1,0,1]=4 10381 B17R1.1448 CCCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210757 [0,2,0,0,0,0|1,0,0]=3 10382 B17R1.1448 CCCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210757 [0,2,0,0,0,0|1,0,0]=3 10383 B17R1.1448 CCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210757 [0,2,0,0,0,0|2,0,0]=4 10384 B17R1.1448 CCCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210757 [0,2,0,0,0,0|1,0,0]=3 10385 B17R1.1448 CCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210757 [0,2,0,0,0,0|2,0,0]=4 10386 B17R1.1448 CCCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210757 [0,2,0,0,0,0|2,0,0]=4 10387 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000209983_100016990649 [0,2,0,0,0,0|1,0,0]=3 10388 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000209983_100016990649 [0,2,0,0,0,0|1,0,0]=3 10389 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000209983_100016990649 [0,2,0,0,0,0|1,0,0]=3 10390 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000209983_200020598536 [0,2,0,0,0,0|1,0,0]=3 10391 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000209983_200020598536 [0,2,0,0,0,0|1,0,0]=3 10392 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000209983_200020598536 [0,2,0,0,0,0|1,0,0]=3 10393 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000209983_200020598536 [0,2,0,0,0,0|1,0,0]=3 10394 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000209983_100025712827 [0,2,0,0,0,0|2,0,0]=4 10395 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000209983_100025712827 [0,2,0,0,0,0|2,0,0]=4 10396 B17R1.1448 CCCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000209983_100025712827 [0,2,0,0,0,0|2,0,0]=4 10397 B17R1.1448 CCCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000209983_100020889036 [0,2,0,0,0,0|1,0,0]=3 10398 B17R1.1448 CCCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000209983_100020889036 [0,2,0,0,0,0|1,0,0]=3 10399 B17R1.1448 CCCCCNC(=O)C(=Cc1cccnc1)F 11a_100000209983_100000731744 [0,2,0,0,0,0|2,0,0]=4 10400 B17R1.1448 CCCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000209983_100000731744 [0,2,0,0,0,0|2,0,0]=4 10401 B17R1.1448 CCCCCNC(=O)C(=Cc1cccnc1)F 527a_100000209983_100000731744 [0,2,0,0,0,0|2,0,0]=4 10402 B17R1.1448 CCCCCNC(=O)C(=O)Nc1ccccc1 240690a_100000209983_100000738435 [0,2,0,0,0,0|2,0,0]=4 10403 B17R1.1448 CCCCNNC(=O)/C(=C/c1ccccc1)/C 22a_100025702795_100016990649 [0,2,0,0,0,0|1,0,0]=3 10404 B17R1.1448 CCCCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100025702795_200020598536 [0,2,0,0,0,0|1,0,0]=3 10405 B17R1.1448 CCCCNNC(=O)/C(=C/c1ccccn1)/C 22a_100025702795_100025712827 [0,2,0,0,0,0|2,0,0]=4 10406 B17R1.1448 CCCCNNC(=O)/C(=C\c1ccccc1)/F 22a_100025702795_100020889036 [0,2,0,0,0,0|1,0,0]=3 10407 B17R1.1448 CCCCNNC(=O)C(=Cc1cccnc1)F 22a_100025702795_100000731744 [0,2,0,0,0,0|2,0,0]=4 10408 B17R1.1448 CCCCNNC(=O)C(=O)Nc1ccccc1 22a_100025702795_100000738435 [0,2,0,0,0,0|2,0,0]=4 10409 B17R1.1448 CCCCOCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011995733 [0,2,0,0,0,0|0,0,0]=2 10410 B17R1.1448 CCCCOCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011995733 [0,2,0,0,0,0|0,0,0]=2 10411 B17R1.1448 CCCCOCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011995733 [0,2,0,0,0,0|1,0,0]=3 10412 B17R1.1448 CCCCOCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011995733 [0,2,0,0,0,0|0,0,0]=2 10413 B17R1.1448 CCCCOCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011995733 [0,2,0,0,0,0|1,0,0]=3 10414 B17R1.1448 CCCCOCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011995733 [0,2,0,0,0,0|1,0,0]=3 10415 B17R1.1448 CCCCOCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100011995733 [0,2,0,0,0,0|0,0,2]=4 10416 B17R1.1448 CCCCOCC(=O)C(C)Cc1ccccc1 1458a_100000757543_200011218536 [0,2,0,0,0,0|0,0,2]=4 10417 B17R1.1448 CCCCOCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100011995733 [0,2,0,0,0,0|1,0,1]=4 10418 B17R1.1448 CCCCOCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100011995733 [0,2,0,0,0,0|1,0,1]=4 10419 B17R1.1448 CCCCOCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000757543 [0,2,0,0,0,0|1,0,1]=4 10420 B17R1.1448 CCCCOCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000757543 [0,2,0,0,0,0|1,0,1]=4 10421 B17R1.1448 CCCCOCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000757543 [0,2,0,0,0,0|1,0,1]=4 10422 B17R1.1448 CCCCOCC(=O)N(C)Cc1ccccc1 34a_100000210227_100000182870 [0,2,0,0,0,0|1,0,1]=4 10423 B17R1.1448 CCCCOCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000757543 [0,2,0,0,0,0|1,0,1]=4 10424 B17R1.1448 CCCCOCC(=O)N(C)Cc1ccccc1 7a_100000210227_100000182870 [0,2,0,0,0,0|1,0,1]=4 10425 B17R1.1448 CCCCOCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100011995733 [0,2,0,0,0,0|0,0,2]=4 10426 B17R1.1448 CCCOCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011215938 [0,2,0,0,0,0|1,0,0]=3 10427 B17R1.1448 CCCOCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215938 [0,2,0,0,0,0|1,0,0]=3 10428 B17R1.1448 CCCOCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011215938 [0,2,0,0,0,0|2,0,0]=4 10429 B17R1.1448 CCCOCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215938 [0,2,0,0,0,0|1,0,0]=3 10430 B17R1.1448 CCCOCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011215938 [0,2,0,0,0,0|2,0,0]=4 10431 B17R1.1448 CCCOCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011215938 [0,2,0,0,0,0|2,0,0]=4 10432 B17R1.1448 CCOCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100012232248 [0,2,0,0,0,0|1,0,0]=3 10433 B17R1.1448 CCOCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100012232248 [0,2,0,0,0,0|1,0,0]=3 10434 B17R1.1448 CCOCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100012232248 [0,2,0,0,0,0|2,0,0]=4 10435 B17R1.1448 CCOCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100012232248 [0,2,0,0,0,0|1,0,0]=3 10436 B17R1.1448 CCOCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100012232248 [0,2,0,0,0,0|2,0,0]=4 10437 B17R1.1448 CCOCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100012232248 [0,2,0,0,0,0|2,0,0]=4 10438 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccc1)/C 11a_100011200944_100016990649 [0,2,0,0,0,0|1,0,0]=3 10439 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccc1)/C 1626a_102516460346_100016990649 [0,2,0,0,0,0|1,0,0]=3 10440 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccc1)/C 527a_100011200944_100016990649 [0,2,0,0,0,0|1,0,0]=3 10441 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100011200944_200020598536 [0,2,0,0,0,0|1,0,0]=3 10442 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_102516460346_200020598536 [0,2,0,0,0,0|1,0,0]=3 10443 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100011200944_200020598536 [0,2,0,0,0,0|1,0,0]=3 10444 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100011200944_200020598536 [0,2,0,0,0,0|1,0,0]=3 10445 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccn1)/C 11a_100011200944_100025712827 [0,2,0,0,0,0|2,0,0]=4 10446 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccn1)/C 1626a_102516460346_100025712827 [0,2,0,0,0,0|2,0,0]=4 10447 B17R1.1448 CCOCCNC(=O)/C(=C/c1ccccn1)/C 527a_100011200944_100025712827 [0,2,0,0,0,0|2,0,0]=4 10448 B17R1.1448 CCOCCNC(=O)/C(=C\c1ccccc1)/F 11a_100011200944_100020889036 [0,2,0,0,0,0|1,0,0]=3 10449 B17R1.1448 CCOCCNC(=O)/C(=C\c1ccccc1)/F 527a_100011200944_100020889036 [0,2,0,0,0,0|1,0,0]=3 10450 B17R1.1448 CCOCCNC(=O)C(=Cc1cccnc1)F 11a_100011200944_100000731744 [0,2,0,0,0,0|2,0,0]=4 10451 B17R1.1448 CCOCCNC(=O)C(=Cc1cccnc1)F 240690a_100011200944_100000731744 [0,2,0,0,0,0|2,0,0]=4 10452 B17R1.1448 CCOCCNC(=O)C(=Cc1cccnc1)F 527a_100011200944_100000731744 [0,2,0,0,0,0|2,0,0]=4 10453 B17R1.1448 CCOCCNC(=O)C(=O)Nc1ccccc1 240690a_100011200944_100000738435 [0,2,0,0,0,0|2,0,0]=4 10454 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000106463_100016990649 [0,2,0,0,0,0|1,0,0]=3 10455 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000106463_100016990649 [0,2,0,0,0,0|1,0,0]=3 10456 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000106463_100016990649 [0,2,0,0,0,0|1,0,0]=3 10457 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000106463_200020598536 [0,2,0,0,0,0|1,0,0]=3 10458 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000106463_200020598536 [0,2,0,0,0,0|1,0,0]=3 10459 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000106463_200020598536 [0,2,0,0,0,0|1,0,0]=3 10460 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000106463_200020598536 [0,2,0,0,0,0|1,0,0]=3 10461 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000106463_100025712827 [0,2,0,0,0,0|2,0,0]=4 10462 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000106463_100025712827 [0,2,0,0,0,0|2,0,0]=4 10463 B17R1.1448 CCSCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000106463_100025712827 [0,2,0,0,0,0|2,0,0]=4 10464 B17R1.1448 CCSCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000106463_100020889036 [0,2,0,0,0,0|1,0,0]=3 10465 B17R1.1448 CCSCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000106463_100020889036 [0,2,0,0,0,0|1,0,0]=3 10466 B17R1.1448 CCSCCNC(=O)C(=Cc1cccnc1)F 11a_100000106463_100000731744 [0,2,0,0,0,0|2,0,0]=4 10467 B17R1.1448 CCSCCNC(=O)C(=Cc1cccnc1)F 240690a_100000106463_100000731744 [0,2,0,0,0,0|2,0,0]=4 10468 B17R1.1448 CCSCCNC(=O)C(=Cc1cccnc1)F 527a_100000106463_100000731744 [0,2,0,0,0,0|2,0,0]=4 10469 B17R1.1448 CCSCCNC(=O)C(=O)Nc1ccccc1 240690a_100000106463_100000738435 [0,2,0,0,0,0|2,0,0]=4 10470 B17R1.1448 COCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000755781 [0,2,0,0,0,0|1,0,0]=3 10471 B17R1.1448 COCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000755781 [0,2,0,0,0,0|1,0,0]=3 10472 B17R1.1448 COCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000755781 [0,2,0,0,0,0|2,0,0]=4 10473 B17R1.1448 COCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000755781 [0,2,0,0,0,0|1,0,0]=3 10474 B17R1.1448 COCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000755781 [0,2,0,0,0,0|2,0,0]=4 10475 B17R1.1448 COCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000755781 [0,2,0,0,0,0|2,0,0]=4 10476 B17R1.1448 COCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100150723488_100016990649 [0,2,0,0,0,0|1,0,0]=3 10477 B17R1.1448 COCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100150723488_100016990649 [0,2,0,0,0,0|1,0,0]=3 10478 B17R1.1448 COCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100150723488_200020598536 [0,2,0,0,0,0|1,0,0]=3 10479 B17R1.1448 COCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100150723488_200020598536 [0,2,0,0,0,0|1,0,0]=3 10480 B17R1.1448 COCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100150723488_200020598536 [0,2,0,0,0,0|1,0,0]=3 10481 B17R1.1448 COCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100150723488_100025712827 [0,2,0,0,0,0|2,0,0]=4 10482 B17R1.1448 COCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100150723488_100025712827 [0,2,0,0,0,0|2,0,0]=4 10483 B17R1.1448 COCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100150723488_100020889036 [0,2,0,0,0,0|1,0,0]=3 10484 B17R1.1448 COCCCNC(=O)C(=Cc1cccnc1)F 240690a_100150723488_100000731744 [0,2,0,0,0,0|2,0,0]=4 10485 B17R1.1448 COCCCNC(=O)C(=Cc1cccnc1)F 527a_100150723488_100000731744 [0,2,0,0,0,0|2,0,0]=4 10486 B17R1.1448 COCCCNC(=O)C(=O)Nc1ccccc1 240690a_100150723488_100000738435 [0,2,0,0,0,0|2,0,0]=4 10487 B17R1.1448 COCCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000741390_100016990649 [0,2,0,0,0,0|2,0,0]=4 10488 B17R1.1448 COCCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000741390_200020598536 [0,2,0,0,0,0|2,0,0]=4 10489 B17R1.1448 COCCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000741390_100020889036 [0,2,0,0,0,0|2,0,0]=4 10490 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000749238_100016990649 [0,2,0,0,0,0|1,0,0]=3 10491 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000749238_100016990649 [0,2,0,0,0,0|1,0,0]=3 10492 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000749238_100016990649 [0,2,0,0,0,0|1,0,0]=3 10493 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000749238_200020598536 [0,2,0,0,0,0|1,0,0]=3 10494 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000749238_200020598536 [0,2,0,0,0,0|1,0,0]=3 10495 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000749238_200020598536 [0,2,0,0,0,0|1,0,0]=3 10496 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000749238_200020598536 [0,2,0,0,0,0|1,0,0]=3 10497 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000749238_100025712827 [0,2,0,0,0,0|2,0,0]=4 10498 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000749238_100025712827 [0,2,0,0,0,0|2,0,0]=4 10499 B17R1.1448 CSCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000749238_100025712827 [0,2,0,0,0,0|2,0,0]=4 10500 B17R1.1448 CSCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000749238_100020889036 [0,2,0,0,0,0|1,0,0]=3 10501 B17R1.1448 CSCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000749238_100020889036 [0,2,0,0,0,0|1,0,0]=3 10502 B17R1.1448 CSCCCNC(=O)C(=Cc1cccnc1)F 11a_100000749238_100000731744 [0,2,0,0,0,0|2,0,0]=4 10503 B17R1.1448 CSCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000749238_100000731744 [0,2,0,0,0,0|2,0,0]=4 10504 B17R1.1448 CSCCCNC(=O)C(=Cc1cccnc1)F 527a_100000749238_100000731744 [0,2,0,0,0,0|2,0,0]=4 10505 B17R1.1448 CSCCCNC(=O)C(=O)Nc1ccccc1 240690a_100000749238_100000738435 [0,2,0,0,0,0|2,0,0]=4 10506 B17R1.1448 N#CCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211819 [0,2,0,0,0,0|1,0,1]=4 10507 B17R1.1448 N#CCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211819 [0,2,0,0,0,0|1,0,1]=4 10508 B17R1.1448 O=C(CCCCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000729378 [0,2,0,0,0,0|1,0,0]=3 10509 B17R1.1448 O=C(CCCCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100000729378 [0,2,0,0,0,0|1,0,0]=3 10510 B17R1.1448 O=C(CCCCCF)C(=Cc1cccnc1)F 1458a_100000731744_100000729378 [0,2,0,0,0,0|2,0,0]=4 10511 B17R1.1448 O=C(CCCCCF)C(=O)Nc1ccccc1 1458a_100000738435_100000729378 [0,2,0,0,0,0|2,0,0]=4 10512 B17R1.1448 O=C(CCCCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000746330 [0,2,0,0,0,0|1,0,0]=3 10513 B17R1.1448 O=C(CCCCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000746330 [0,2,0,0,0,0|1,0,0]=3 10514 B17R1.1448 O=C(CCCCCO)C(=Cc1cccnc1)F 1458a_100000731744_100000746330 [0,2,0,0,0,0|2,0,0]=4 10515 B17R1.1448 O=C(CCCCCO)C(=O)Nc1ccccc1 1458a_100000738435_100000746330 [0,2,0,0,0,0|2,0,0]=4 10516 B17R1.1448 O=C(CCOCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215305 [0,2,0,0,0,0|2,0,0]=4 10517 B17R1.1448 O=C(CCOCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215305 [0,2,0,0,0,0|2,0,0]=4 10518 B17R1.1448 O=C(NCCCCO)/C(=C/c1ccccc1)/Cl 240690a_100000750430_200020598536 [0,2,0,0,0,0|1,0,0]=3 10519 B17R1.1448 O=C(NCCCCO)/C(=C/c1ccccc1)/Cl 527a_100000750430_200020598536 [0,2,0,0,0,0|1,0,0]=3 10520 B17R1.1448 O=C(NCCCCO)/C(=C\c1ccccc1)/F 527a_100000750430_100020889036 [0,2,0,0,0,0|1,0,0]=3 10521 B17R1.1448 O=C(NCCCCO)C(=Cc1cccnc1)F 240690a_100000750430_100000731744 [0,2,0,0,0,0|2,0,0]=4 10522 B17R1.1448 O=C(NCCCCO)C(=Cc1cccnc1)F 527a_100000750430_100000731744 [0,2,0,0,0,0|2,0,0]=4 10523 B17R1.1448 O=C(NCCCCO)C(=O)Nc1ccccc1 240690a_100000750430_100000738435 [0,2,0,0,0,0|2,0,0]=4 10524 B17R1.4937 CCCCC(C)NC(=O)C=Cc1ccccc1 11a_100000126638_100000210462 [0,2,0,0,0,0|1,0,0]=3 10525 B17R1.4937 CCCCC(C)NC(=O)C=Cc1ccccc1 1626a_100000126638_100000210462 [0,2,0,0,0,0|1,0,0]=3 10526 B17R1.4937 CCCCC(C)NC(=O)C=Cc1ccccn1 11a_100000126638_100000740811 [0,2,0,0,0,0|2,0,0]=4 10527 B17R1.4937 CCCCC(C)NC(=O)C=Cc1ccccn1 240690a_100000126638_100000740811 [0,2,0,0,0,0|2,0,0]=4 10528 B17R1.4937 CCCCC(C)NC(=O)C=Cc1cccnc1 11a_100000126638_100000735890 [0,2,0,0,0,0|2,0,0]=4 10529 B17R1.4937 CCCCC(C)NC(=O)C=Cc1cccnc1 240690a_100000126638_100000735890 [0,2,0,0,0,0|2,0,0]=4 10530 B17R1.4937 CCCCC(C)NC(=O)C=Cc1ccncc1 240690a_100000126638_100000682801 [0,2,0,0,0,0|2,0,0]=4 10531 B17R1.4937 CCCNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183358 [0,2,0,0,0,0|1,0,1]=4 10532 B17R1.4937 CCCOC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_200011215008 [0,2,0,0,0,0|1,0,1]=4 10533 B17R1.4937 CCCSC(C)OC(=O)OCc1ccccc1 62a_100000210303_200015597219 [0,2,0,0,0,0|1,0,1]=4 10534 B17R1.4937 CCCSC(C)OC(=O)OCc1ccccc1 62a_200015597219_100000210303 [0,2,0,0,0,0|1,0,1]=4 10535 B17R1.5074 C#CCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100010269958 [0,2,0,0,0,0|1,0,1]=4 10536 B17R1.5074 C#CCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100010269958 [0,2,0,0,0,0|1,0,1]=4 10537 B17R1.5074 C#CCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100010269958 [0,2,0,0,0,0|1,0,1]=4 10538 B17R1.5074 C#CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100010269958 [0,2,0,0,0,0|1,0,1]=4 10539 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Br 11a_100000718082_100000719032 [0,2,0,0,0,0|1,0,1]=4 10540 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Br 1626a_100000718082_100000719032 [0,2,0,0,0,0|1,0,1]=4 10541 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Br 240690a_100000718082_100000719032 [0,2,0,0,0,0|1,0,1]=4 10542 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1C 1626a_100000718082_100016266485 [0,2,0,0,0,0|1,0,1]=4 10543 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Cl 11a_100000718082_100000720304 [0,2,0,0,0,0|1,0,1]=4 10544 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000718082_100000720304 [0,2,0,0,0,0|1,0,1]=4 10545 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000718082_100000720304 [0,2,0,0,0,0|1,0,1]=4 10546 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1F 11a_100000718082_100016256065 [0,2,0,0,0,0|1,0,1]=4 10547 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1F 1626a_100000718082_100016256065 [0,2,0,0,0,0|1,0,1]=4 10548 B17R1.5074 C#CCCCNC(=O)C=Cc1ccccc1F 240690a_100000718082_100016256065 [0,2,0,0,0,0|1,0,1]=4 10549 B17R1.5074 C=CCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215482 [0,2,0,0,0,0|1,0,1]=4 10550 B17R1.5074 C=CCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215482 [0,2,0,0,0,0|1,0,1]=4 10551 B17R1.5074 C=CCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215482 [0,2,0,0,0,0|1,0,1]=4 10552 B17R1.5074 C=CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215482 [0,2,0,0,0,0|1,0,1]=4 10553 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1Br 11a_100000700776_100000719032 [0,2,0,0,0,0|1,0,1]=4 10554 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1Br 1626a_100000700776_100000719032 [0,2,0,0,0,0|1,0,1]=4 10555 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1Br 240690a_100000700776_100000719032 [0,2,0,0,0,0|1,0,1]=4 10556 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1C 1626a_100000700776_100016266485 [0,2,0,0,0,0|1,0,1]=4 10557 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1Cl 11a_100000700776_100000720304 [0,2,0,0,0,0|1,0,1]=4 10558 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000700776_100000720304 [0,2,0,0,0,0|1,0,1]=4 10559 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000700776_100000720304 [0,2,0,0,0,0|1,0,1]=4 10560 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1F 11a_100000700776_100016256065 [0,2,0,0,0,0|1,0,1]=4 10561 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1F 1626a_100000700776_100016256065 [0,2,0,0,0,0|1,0,1]=4 10562 B17R1.5074 C=CCCCNC(=O)C=Cc1ccccc1F 240690a_100000700776_100016256065 [0,2,0,0,0,0|1,0,1]=4 10563 B17R1.5074 CC/C=C\CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100015370543 [0,2,0,0,0,0|1,0,1]=4 10564 B17R1.5074 CC/C=C\CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100015370543 [0,2,0,0,0,0|1,0,1]=4 10565 B17R1.5074 CC/C=C\CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100015370543 [0,2,0,0,0,0|1,0,1]=4 10566 B17R1.5074 CC/C=C\CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100015370543 [0,2,0,0,0,0|1,0,1]=4 10567 B17R1.5074 CCCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210757 [0,2,0,0,0,0|1,0,0]=3 10568 B17R1.5074 CCCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210757 [0,2,0,0,0,0|1,0,0]=3 10569 B17R1.5074 CCCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210757 [0,2,0,0,0,0|1,0,0]=3 10570 B17R1.5074 CCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210757 [0,2,0,0,0,0|1,0,0]=3 10571 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Br 11a_100000209983_100000719032 [0,2,0,0,0,0|1,0,0]=3 10572 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Br 1626a_100000209983_100000719032 [0,2,0,0,0,0|1,0,0]=3 10573 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Br 240690a_100000209983_100000719032 [0,2,0,0,0,0|1,0,0]=3 10574 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1C 1626a_100000209983_100016266485 [0,2,0,0,0,0|1,0,0]=3 10575 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Cl 11a_100000209983_100000720304 [0,2,0,0,0,0|1,0,0]=3 10576 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000209983_100000720304 [0,2,0,0,0,0|1,0,0]=3 10577 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000209983_100000720304 [0,2,0,0,0,0|1,0,0]=3 10578 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1F 11a_100000209983_100016256065 [0,2,0,0,0,0|1,0,0]=3 10579 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1F 1626a_100000209983_100016256065 [0,2,0,0,0,0|1,0,0]=3 10580 B17R1.5074 CCCCCNC(=O)C=Cc1ccccc1F 240690a_100000209983_100016256065 [0,2,0,0,0,0|1,0,0]=3 10581 B17R1.5074 CCCCNN=C(C)C=Cc1ccccc1Cl 4a_100025702795_200016284137 [0,2,0,0,0,0|2,0,0]=4 10582 B17R1.5074 CCCCNNC(=O)C=Cc1ccccc1Br 22a_100025702795_100000719032 [0,2,0,0,0,0|1,0,0]=3 10583 B17R1.5074 CCCCNNC(=O)C=Cc1ccccc1C 22a_100025702795_100016266485 [0,2,0,0,0,0|1,0,0]=3 10584 B17R1.5074 CCCCNNC(=O)C=Cc1ccccc1Cl 22a_100025702795_100000720304 [0,2,0,0,0,0|1,0,0]=3 10585 B17R1.5074 CCCCNNC(=O)C=Cc1ccccc1F 22a_100025702795_100016256065 [0,2,0,0,0,0|1,0,0]=3 10586 B17R1.5074 CCCCNNC(=O)C=Cc1ccccc1O 22a_100025702795_100016263591 [0,2,0,0,0,0|1,0,0]=3 10587 B17R1.5074 CCCCOCC(=O)C#Cc1ccccc1F 1458a_100011892747_100011995733 [0,2,0,0,0,0|0,0,2]=4 10588 B17R1.5074 CCCCOCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011995733 [0,2,0,0,0,0|0,0,0]=2 10589 B17R1.5074 CCCCOCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011995733 [0,2,0,0,0,0|0,0,0]=2 10590 B17R1.5074 CCCCOCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011995733 [0,2,0,0,0,0|0,0,0]=2 10591 B17R1.5074 CCCCOCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011995733 [0,2,0,0,0,0|0,0,0]=2 10592 B17R1.5074 CCCCOCC(=O)CCc1ccccc1Br 1458a_100000740810_100011995733 [0,2,0,0,0,0|0,0,2]=4 10593 B17R1.5074 CCCCOCC(=O)CCc1ccccc1Br 1458a_100000757543_100012161201 [0,2,0,0,0,0|0,0,2]=4 10594 B17R1.5074 CCCCOCC(=O)CCc1ccccc1C 1458a_100000748742_100011995733 [0,2,0,0,0,0|0,0,2]=4 10595 B17R1.5074 CCCCOCC(=O)CCc1ccccc1C 1458a_100000757543_100011713688 [0,2,0,0,0,0|0,0,2]=4 10596 B17R1.5074 CCCCOCC(=O)CCc1ccccc1Cl 1458a_100000184300_100011995733 [0,2,0,0,0,0|0,0,2]=4 10597 B17R1.5074 CCCCOCC(=O)CCc1ccccc1Cl 1458a_100000757543_100011713703 [0,2,0,0,0,0|0,0,2]=4 10598 B17R1.5074 CCCCOCC(=O)CCc1ccccc1F 1458a_100000189703_100011995733 [0,2,0,0,0,0|0,0,2]=4 10599 B17R1.5074 CCCCOCC(=O)CCc1ccccc1F 1458a_100000757543_100000720011 [0,2,0,0,0,0|0,0,2]=4 10600 B17R1.5074 CCCCOCC(=O)CCc1ccccc1I 1458a_100000037306_100011995733 [0,2,0,0,0,0|0,0,2]=4 10601 B17R1.5074 CCCCOCC(=O)CCc1ccccc1O 1458a_100000181328_100011995733 [0,2,0,0,0,0|0,0,2]=4 10602 B17R1.5074 CCCCOCC(=O)CCc1ccccc1O 1458a_100000757543_100000722297 [0,2,0,0,0,0|0,0,2]=4 10603 B17R1.5074 CCCCOCC(=O)COc1ccccc1Br 1458a_100000216496_100011995733 [0,2,0,0,0,0|1,0,1]=4 10604 B17R1.5074 CCCCOCC(=O)COc1ccccc1C 1458a_100000182418_100011995733 [0,2,0,0,0,0|1,0,1]=4 10605 B17R1.5074 CCCCOCC(=O)COc1ccccc1Cl 1458a_100000185159_100011995733 [0,2,0,0,0,0|1,0,1]=4 10606 B17R1.5074 CCCCOCC(=O)COc1ccccc1F 1458a_100000182486_100011995733 [0,2,0,0,0,0|1,0,1]=4 10607 B17R1.5074 CCCCOCC(=O)COc1ccccc1O 1458a_100000183020_100011995733 [0,2,0,0,0,0|1,0,1]=4 10608 B17R1.5074 CCCCOCC(=O)CSc1ccccc1C 1458a_100000183026_100011995733 [0,2,0,0,0,0|1,0,1]=4 10609 B17R1.5074 CCCCOCC(=O)CSc1ccccc1F 1458a_100000179528_100011995733 [0,2,0,0,0,0|1,0,1]=4 10610 B17R1.5074 CCCCOCC(=O)CSc1ccccc1O 1458a_100000695322_100011995733 [0,2,0,0,0,0|1,0,1]=4 10611 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Br 11a_100000689332_100000757543 [0,2,0,0,0,0|1,0,1]=4 10612 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Br 1626a_100000689332_100000757543 [0,2,0,0,0,0|1,0,1]=4 10613 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Br 240690a_100000689332_100000757543 [0,2,0,0,0,0|1,0,1]=4 10614 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Br 527a_100000689332_100000757543 [0,2,0,0,0,0|1,0,1]=4 10615 B17R1.5074 CCCCOCC(=O)NCc1ccccc1C 11a_100000174972_100000757543 [0,2,0,0,0,0|1,0,1]=4 10616 B17R1.5074 CCCCOCC(=O)NCc1ccccc1C 1626a_100000174972_100000757543 [0,2,0,0,0,0|1,0,1]=4 10617 B17R1.5074 CCCCOCC(=O)NCc1ccccc1C 240690a_100000174972_100000757543 [0,2,0,0,0,0|1,0,1]=4 10618 B17R1.5074 CCCCOCC(=O)NCc1ccccc1C 34a_100000210227_100000230231 [0,2,0,0,0,0|1,0,1]=4 10619 B17R1.5074 CCCCOCC(=O)NCc1ccccc1C 527a_100000174972_100000757543 [0,2,0,0,0,0|1,0,1]=4 10620 B17R1.5074 CCCCOCC(=O)NCc1ccccc1C 7a_100000210227_100000230231 [0,2,0,0,0,0|1,0,1]=4 10621 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Cl 11a_100000174879_100000757543 [0,2,0,0,0,0|1,0,1]=4 10622 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000757543 [0,2,0,0,0,0|1,0,1]=4 10623 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000757543 [0,2,0,0,0,0|1,0,1]=4 10624 B17R1.5074 CCCCOCC(=O)NCc1ccccc1Cl 527a_100000174879_100000757543 [0,2,0,0,0,0|1,0,1]=4 10625 B17R1.5074 CCCCOCC(=O)NCc1ccccc1F 11a_100000174869_100000757543 [0,2,0,0,0,0|1,0,1]=4 10626 B17R1.5074 CCCCOCC(=O)NCc1ccccc1F 1626a_100000174869_100000757543 [0,2,0,0,0,0|1,0,1]=4 10627 B17R1.5074 CCCCOCC(=O)NCc1ccccc1F 240690a_100000174869_100000757543 [0,2,0,0,0,0|1,0,1]=4 10628 B17R1.5074 CCCCOCC(=O)NCc1ccccc1F 34a_100000210227_100000190583 [0,2,0,0,0,0|1,0,1]=4 10629 B17R1.5074 CCCCOCC(=O)NCc1ccccc1F 527a_100000174869_100000757543 [0,2,0,0,0,0|1,0,1]=4 10630 B17R1.5074 CCCCOCC(=O)NCc1ccccc1F 7a_100000210227_100000190583 [0,2,0,0,0,0|1,0,1]=4 10631 B17R1.5074 CCCCOCC(=O)NCc1ccccc1I 11a_100015347259_100000757543 [0,2,0,0,0,0|1,0,1]=4 10632 B17R1.5074 CCCCOCC(=O)NCc1ccccc1I 1626a_100015347259_100000757543 [0,2,0,0,0,0|1,0,1]=4 10633 B17R1.5074 CCCCOCC(=O)NCc1ccccc1I 240690a_100015347259_100000757543 [0,2,0,0,0,0|1,0,1]=4 10634 B17R1.5074 CCCCOCC(=O)NCc1ccccc1I 527a_100015347259_100000757543 [0,2,0,0,0,0|1,0,1]=4 10635 B17R1.5074 CCCCOCC(=O)NCc1ccccc1O 240690a_100000185550_100000757543 [0,2,0,0,0,0|1,0,1]=4 10636 B17R1.5074 CCCCOCC(=O)NCc1ccccc1O 527a_100000185550_100000757543 [0,2,0,0,0,0|1,0,1]=4 10637 B17R1.5074 CCCCOCC(=O)NNc1ccccc1Br 22a_100000241748_100000757543 [0,2,0,0,0,0|2,0,0]=4 10638 B17R1.5074 CCCCOCC(=O)NNc1ccccc1C 22a_100000184220_100000757543 [0,2,0,0,0,0|2,0,0]=4 10639 B17R1.5074 CCCCOCC(=O)NNc1ccccc1Cl 22a_100000683529_100000757543 [0,2,0,0,0,0|2,0,0]=4 10640 B17R1.5074 CCCCOCC(=O)NNc1ccccc1F 22a_100000239246_100000757543 [0,2,0,0,0,0|2,0,0]=4 10641 B17R1.5074 CCCCOCC(=O)NNc1ccccc1I 22a_100011218156_100000757543 [0,2,0,0,0,0|2,0,0]=4 10642 B17R1.5074 CCCOCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215938 [0,2,0,0,0,0|1,0,0]=3 10643 B17R1.5074 CCCOCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215938 [0,2,0,0,0,0|1,0,0]=3 10644 B17R1.5074 CCCOCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215938 [0,2,0,0,0,0|1,0,0]=3 10645 B17R1.5074 CCCOCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215938 [0,2,0,0,0,0|1,0,0]=3 10646 B17R1.5074 CCOCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100012232248 [0,2,0,0,0,0|1,0,0]=3 10647 B17R1.5074 CCOCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100012232248 [0,2,0,0,0,0|1,0,0]=3 10648 B17R1.5074 CCOCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100012232248 [0,2,0,0,0,0|1,0,0]=3 10649 B17R1.5074 CCOCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100012232248 [0,2,0,0,0,0|1,0,0]=3 10650 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1Br 11a_100011200944_100000719032 [0,2,0,0,0,0|1,0,0]=3 10651 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1Br 1626a_102516460346_100000719032 [0,2,0,0,0,0|1,0,0]=3 10652 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1Br 240690a_100011200944_100000719032 [0,2,0,0,0,0|1,0,0]=3 10653 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1C 1626a_102516460346_100016266485 [0,2,0,0,0,0|1,0,0]=3 10654 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1Cl 11a_100011200944_100000720304 [0,2,0,0,0,0|1,0,0]=3 10655 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1Cl 1626a_102516460346_100000720304 [0,2,0,0,0,0|1,0,0]=3 10656 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1Cl 240690a_100011200944_100000720304 [0,2,0,0,0,0|1,0,0]=3 10657 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1F 11a_100011200944_100016256065 [0,2,0,0,0,0|1,0,0]=3 10658 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1F 1626a_102516460346_100016256065 [0,2,0,0,0,0|1,0,0]=3 10659 B17R1.5074 CCOCCNC(=O)C=Cc1ccccc1F 240690a_100011200944_100016256065 [0,2,0,0,0,0|1,0,0]=3 10660 B17R1.5074 CCOCCOC(=O)CNc1ccccc1Br 34a_100000210017_200000101388 [0,2,0,0,0,0|1,0,1]=4 10661 B17R1.5074 CCOCCOC(=O)CNc1ccccc1C 34a_100015192222_200000101388 [0,2,0,0,0,0|1,0,1]=4 10662 B17R1.5074 CCOCCOC(=O)CNc1ccccc1Cl 34a_100000185783_200000101388 [0,2,0,0,0,0|1,0,1]=4 10663 B17R1.5074 CCOCCOC(=O)CNc1ccccc1F 34a_100000210422_200000101388 [0,2,0,0,0,0|1,0,1]=4 10664 B17R1.5074 CCOCCOC(=O)CNc1ccccc1I 34a_100000210053_200000101388 [0,2,0,0,0,0|1,0,1]=4 10665 B17R1.5074 CCOCCOC(=O)CNc1ccccc1O 34a_100000185747_200000101388 [0,2,0,0,0,0|1,0,1]=4 10666 B17R1.5074 CCOCCOC(=O)COc1ccccc1Br 34a_100000181306_200000101388 [0,2,0,0,0,0|1,0,1]=4 10667 B17R1.5074 CCOCCOC(=O)COc1ccccc1Br 7a_100000181306_200000101388 [0,2,0,0,0,0|1,0,1]=4 10668 B17R1.5074 CCOCCOC(=O)COc1ccccc1C 34a_100000210338_200000101388 [0,2,0,0,0,0|1,0,1]=4 10669 B17R1.5074 CCOCCOC(=O)COc1ccccc1C 7a_100000210338_200000101388 [0,2,0,0,0,0|1,0,1]=4 10670 B17R1.5074 CCOCCOC(=O)COc1ccccc1Cl 34a_100000210172_200000101388 [0,2,0,0,0,0|1,0,1]=4 10671 B17R1.5074 CCOCCOC(=O)COc1ccccc1Cl 7a_100000210172_200000101388 [0,2,0,0,0,0|1,0,1]=4 10672 B17R1.5074 CCOCCOC(=O)COc1ccccc1F 34a_100000210171_200000101388 [0,2,0,0,0,0|1,0,1]=4 10673 B17R1.5074 CCOCCOC(=O)COc1ccccc1F 7a_100000210171_200000101388 [0,2,0,0,0,0|1,0,1]=4 10674 B17R1.5074 CCOCCOC(=O)COc1ccccc1I 34a_100000739446_200000101388 [0,2,0,0,0,0|1,0,1]=4 10675 B17R1.5074 CCOCCOC(=O)COc1ccccc1I 7a_100000739446_200000101388 [0,2,0,0,0,0|1,0,1]=4 10676 B17R1.5074 CCOCCOC(=O)COc1ccccc1N 34a_100000185747_200000101388 [0,2,0,0,0,0|1,0,1]=4 10677 B17R1.5074 CCOCCOC(=O)COc1ccccc1N 7a_100000185747_200000101388 [0,2,0,0,0,0|1,0,1]=4 10678 B17R1.5074 CCOCCOC(=O)CSc1ccccc1Br 62a_100000695589_200000101388 [0,2,0,0,0,0|1,0,1]=4 10679 B17R1.5074 CCOCCOC(=O)CSc1ccccc1Br 62a_200000101388_100000695589 [0,2,0,0,0,0|1,0,1]=4 10680 B17R1.5074 CCOCCOC(=O)CSc1ccccc1C 62a_100000210755_200000101388 [0,2,0,0,0,0|1,0,1]=4 10681 B17R1.5074 CCOCCOC(=O)CSc1ccccc1C 62a_200000101388_100000210755 [0,2,0,0,0,0|1,0,1]=4 10682 B17R1.5074 CCOCCOC(=O)CSc1ccccc1Cl 62a_100000764095_200000101388 [0,2,0,0,0,0|1,0,1]=4 10683 B17R1.5074 CCOCCOC(=O)CSc1ccccc1Cl 62a_200000101388_100000764095 [0,2,0,0,0,0|1,0,1]=4 10684 B17R1.5074 CCOCCOC(=O)CSc1ccccc1F 62a_100011215700_200000101388 [0,2,0,0,0,0|1,0,1]=4 10685 B17R1.5074 CCOCCOC(=O)CSc1ccccc1F 62a_200000101388_100011215700 [0,2,0,0,0,0|1,0,1]=4 10686 B17R1.5074 CCOCCOC(=O)CSc1ccccc1N 62a_100000210017_200000101388 [0,2,0,0,0,0|1,0,1]=4 10687 B17R1.5074 CCOCCOC(=O)CSc1ccccc1N 62a_200000101388_100000210017 [0,2,0,0,0,0|1,0,1]=4 10688 B17R1.5074 CCOCCOC(=O)CSc1ccccc1O 62a_100000739446_200000101388 [0,2,0,0,0,0|1,0,1]=4 10689 B17R1.5074 CCOCCOC(=O)CSc1ccccc1O 62a_200000101388_100000739446 [0,2,0,0,0,0|1,0,1]=4 10690 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Br 11a_100000106463_100000719032 [0,2,0,0,0,0|1,0,0]=3 10691 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Br 1626a_100000106463_100000719032 [0,2,0,0,0,0|1,0,0]=3 10692 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Br 240690a_100000106463_100000719032 [0,2,0,0,0,0|1,0,0]=3 10693 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1C 1626a_100000106463_100016266485 [0,2,0,0,0,0|1,0,0]=3 10694 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Cl 11a_100000106463_100000720304 [0,2,0,0,0,0|1,0,0]=3 10695 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Cl 1626a_100000106463_100000720304 [0,2,0,0,0,0|1,0,0]=3 10696 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1Cl 240690a_100000106463_100000720304 [0,2,0,0,0,0|1,0,0]=3 10697 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1F 11a_100000106463_100016256065 [0,2,0,0,0,0|1,0,0]=3 10698 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1F 1626a_100000106463_100016256065 [0,2,0,0,0,0|1,0,0]=3 10699 B17R1.5074 CCSCCNC(=O)C=Cc1ccccc1F 240690a_100000106463_100016256065 [0,2,0,0,0,0|1,0,0]=3 10700 B17R1.5074 COCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000755781 [0,2,0,0,0,0|1,0,0]=3 10701 B17R1.5074 COCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000755781 [0,2,0,0,0,0|1,0,0]=3 10702 B17R1.5074 COCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000755781 [0,2,0,0,0,0|1,0,0]=3 10703 B17R1.5074 COCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000755781 [0,2,0,0,0,0|1,0,0]=3 10704 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1Br 1626a_100150723488_100000719032 [0,2,0,0,0,0|1,0,0]=3 10705 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1Br 240690a_100150723488_100000719032 [0,2,0,0,0,0|1,0,0]=3 10706 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1C 1626a_100150723488_100016266485 [0,2,0,0,0,0|1,0,0]=3 10707 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1Cl 1626a_100150723488_100000720304 [0,2,0,0,0,0|1,0,0]=3 10708 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1Cl 240690a_100150723488_100000720304 [0,2,0,0,0,0|1,0,0]=3 10709 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1F 1626a_100150723488_100016256065 [0,2,0,0,0,0|1,0,0]=3 10710 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1F 240690a_100150723488_100016256065 [0,2,0,0,0,0|1,0,0]=3 10711 B17R1.5074 COCCNNC(=O)C=Cc1ccccc1Br 22a_100000741390_100000719032 [0,2,0,0,0,0|2,0,0]=4 10712 B17R1.5074 COCCNNC(=O)C=Cc1ccccc1C 22a_100000741390_100016266485 [0,2,0,0,0,0|2,0,0]=4 10713 B17R1.5074 COCCNNC(=O)C=Cc1ccccc1Cl 22a_100000741390_100000720304 [0,2,0,0,0,0|2,0,0]=4 10714 B17R1.5074 COCCNNC(=O)C=Cc1ccccc1F 22a_100000741390_100016256065 [0,2,0,0,0,0|2,0,0]=4 10715 B17R1.5074 COCCNNC(=O)C=Cc1ccccc1O 22a_100000741390_100016263591 [0,2,0,0,0,0|2,0,0]=4 10716 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Br 11a_100000749238_100000719032 [0,2,0,0,0,0|1,0,0]=3 10717 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Br 1626a_100000749238_100000719032 [0,2,0,0,0,0|1,0,0]=3 10718 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Br 240690a_100000749238_100000719032 [0,2,0,0,0,0|1,0,0]=3 10719 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1C 1626a_100000749238_100016266485 [0,2,0,0,0,0|1,0,0]=3 10720 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Cl 11a_100000749238_100000720304 [0,2,0,0,0,0|1,0,0]=3 10721 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000749238_100000720304 [0,2,0,0,0,0|1,0,0]=3 10722 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000749238_100000720304 [0,2,0,0,0,0|1,0,0]=3 10723 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1F 11a_100000749238_100016256065 [0,2,0,0,0,0|1,0,0]=3 10724 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1F 1626a_100000749238_100016256065 [0,2,0,0,0,0|1,0,0]=3 10725 B17R1.5074 CSCCCNC(=O)C=Cc1ccccc1F 240690a_100000749238_100016256065 [0,2,0,0,0,0|1,0,0]=3 10726 B17R1.5074 N#CCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000211819 [0,2,0,0,0,0|1,0,1]=4 10727 B17R1.5074 N#CCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000211819 [0,2,0,0,0,0|1,0,1]=4 10728 B17R1.5074 N#CCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000211819 [0,2,0,0,0,0|1,0,1]=4 10729 B17R1.5074 N#CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000211819 [0,2,0,0,0,0|1,0,1]=4 10730 B17R1.5074 O=C(C=Cc1ccccc1Br)CCCCCF 1458a_100000719032_100000729378 [0,2,0,0,0,0|1,0,0]=3 10731 B17R1.5074 O=C(C=Cc1ccccc1Br)CCCCCO 1458a_100000719032_100000746330 [0,2,0,0,0,0|1,0,0]=3 10732 B17R1.5074 O=C(C=Cc1ccccc1Br)CCOCCO 1458a_100000719032_100011215305 [0,2,0,0,0,0|2,0,0]=4 10733 B17R1.5074 O=C(C=Cc1ccccc1Br)NCCCCO 240690a_100000750430_100000719032 [0,2,0,0,0,0|1,0,0]=3 10734 B17R1.5074 O=C(C=Cc1ccccc1Cl)CCCCCF 1458a_100000720304_100000729378 [0,2,0,0,0,0|1,0,0]=3 10735 B17R1.5074 O=C(C=Cc1ccccc1Cl)CCCCCO 1458a_100000720304_100000746330 [0,2,0,0,0,0|1,0,0]=3 10736 B17R1.5074 O=C(C=Cc1ccccc1Cl)CCOCCO 1458a_100000720304_100011215305 [0,2,0,0,0,0|2,0,0]=4 10737 B17R1.5074 O=C(C=Cc1ccccc1Cl)NCCCCO 240690a_100000750430_100000720304 [0,2,0,0,0,0|1,0,0]=3 10738 B17R1.5074 O=C(C=Cc1ccccc1F)CCCCCF 1458a_100016256065_100000729378 [0,2,0,0,0,0|1,0,0]=3 10739 B17R1.5074 O=C(C=Cc1ccccc1F)CCCCCO 1458a_100016256065_100000746330 [0,2,0,0,0,0|1,0,0]=3 10740 B17R1.5074 O=C(C=Cc1ccccc1F)CCOCCO 1458a_100016256065_100011215305 [0,2,0,0,0,0|2,0,0]=4 10741 B17R1.5074 O=C(C=Cc1ccccc1F)NCCCCO 240690a_100000750430_100016256065 [0,2,0,0,0,0|1,0,0]=3 10742 B17R1.5074 O=C(C=Cc1ccccc1O)CCCCCF 1458a_100016263591_100000729378 [0,2,0,0,0,0|1,0,0]=3 10743 B17R1.5074 O=C(C=Cc1ccccc1O)CCCCCO 1458a_100016263591_100000746330 [0,2,0,0,0,0|1,0,0]=3 10744 B17R1.5074 O=C(C=Cc1ccccc1O)CCOCCO 1458a_100016263591_100011215305 [0,2,0,0,0,0|2,0,0]=4 10745 B17R1.10884 CCCCCNS(=O)(=O)C=Cc1ccccc1 40a_100000209983_100011098038 [0,2,0,0,0,0|2,0,0]=4 10746 B17R1.10884 CCCCNNS(=O)(=O)C=Cc1ccccc1 40a_100025702795_100011098038 [0,2,0,0,0,0|2,0,0]=4 10747 B17R1.10884 CCOCCNS(=O)(=O)C=Cc1ccccc1 40a_100011200944_100011098038 [0,2,0,0,0,0|2,0,0]=4 10748 B17R1.10884 CCSCCNS(=O)(=O)C=Cc1ccccc1 40a_100000106463_100011098038 [0,2,0,0,0,0|2,0,0]=4 10749 B17R1.10884 COCCCNS(=O)(=O)C=Cc1ccccc1 40a_100150723488_100011098038 [0,2,0,0,0,0|2,0,0]=4 10750 B17R1.10884 CSCCCNS(=O)(=O)C=Cc1ccccc1 40a_100000749238_100011098038 [0,2,0,0,0,0|2,0,0]=4 10751 B17R1.10884 O=S(=O)(C=Cc1ccccc1)NCCCCO 40a_100000750430_100011098038 [0,2,0,0,0,0|2,0,0]=4 10752 B17R1.18527 CCCC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210303 [0,2,0,0,0,0|1,0,0]=3 10753 B17R1.18527 CCCC(=O)NNC(=O)C=Cc1ccccc1 22a_100000189770_100000210462 [0,2,0,0,0,0|1,0,1]=4 10754 B17R1.18527 CCCC(=O)OCC(=O)C=Cc1ccccc1 1458a_100000210462_100000034017 [0,2,0,0,0,0|0,0,1]=3 10755 B17R1.18527 CCCC(=O)OCC(=O)C=Cc1ccccn1 1458a_100000740811_100000034017 [0,2,0,0,0,0|1,0,1]=4 10756 B17R1.18527 CCCC(=O)OCC(=O)C=Cc1cccnc1 1458a_100000735890_100000034017 [0,2,0,0,0,0|1,0,1]=4 10757 B17R1.18527 CCCC(=O)OCC(=O)C=Cc1ccncc1 1458a_100000682801_100000034017 [0,2,0,0,0,0|1,0,1]=4 10758 B17R1.18527 CCCC(C)OCC(=O)CCc1ccccc1 34a_100000764384_100012361361 [0,2,0,0,0,0|0,0,2]=4 10759 B17R1.18527 CCCC(C)OCC(=O)CCc1ccccc1 7a_100000764384_100012361361 [0,2,0,0,0,0|0,0,2]=4 10760 B17R1.18527 CCCC(C)OCC(=O)NCc1ccccc1 34a_100000764384_100000183539 [0,2,0,0,0,0|1,0,1]=4 10761 B17R1.18527 CCCC(C)OCC(=O)NCc1ccccc1 7a_100000764384_100000183539 [0,2,0,0,0,0|1,0,1]=4 10762 B17R1.18527 CCCC(C)OCC(=O)OCc1ccccc1 34a_100000764384_100000753625 [0,2,0,0,0,0|1,0,1]=4 10763 B17R1.18527 CCCC(C)OCC(=O)OCc1ccccc1 7a_100000764384_100000753625 [0,2,0,0,0,0|1,0,1]=4 10764 B17R1.18527 CCNC(=O)CNC(=O)/C=C/c1ccccc1 11a_100015525214_100000183125 [0,2,0,0,0,0|1,0,1]=4 10765 B17R1.18527 CCNC(=O)CNC(=O)/C=C/c1ccccc1 240690a_100015525214_100000183125 [0,2,0,0,0,0|1,0,1]=4 10766 B17R1.18527 CCNC(=O)CNC(=O)/C=C/c1ccccc1 527a_100015525214_100000183125 [0,2,0,0,0,0|1,0,1]=4 10767 B17R1.18527 CCNC(=O)CNC(=O)C=Cc1ccccc1 11a_100016988866_100000210462 [0,2,0,0,0,0|1,0,1]=4 10768 B17R1.18527 CCNC(=O)CNC(=O)C=Cc1ccccc1 1626a_100016988866_100000210462 [0,2,0,0,0,0|1,0,1]=4 10769 B17R1.18527 CCOC(=O)CNC(=O)C=Cc1ccccc1 188690a_100000741813_100000210462 [0,2,0,0,0,0|1,0,1]=4 10770 B17R1.18527 COCC(O)CNC(=O)C=Cc1ccccn1 240690a_100000756049_100000740811 [0,2,0,0,0,0|2,0,0]=4 10771 B17R1.18527 COCC(O)CNC(=O)C=Cc1cccnc1 240690a_100000756049_100000735890 [0,2,0,0,0,0|2,0,0]=4 10772 B17R1.18527 COCC(O)CNC(=O)C=Cc1ccncc1 240690a_100000756049_100000682801 [0,2,0,0,0,0|2,0,0]=4 10773 B17R1.18527 O=C(CCF)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100011217306 [0,2,0,0,0,0|1,0,1]=4 10774 B17R1.18527 O=C(CCO)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000211926 [0,2,0,0,0,0|1,0,1]=4 10775 B17R1.951 C/C(=C\c1ccccc1)/C(=O)N[C@H](C)CCO 527a_100000706166_100016990649 [0,2,0,0,0,0|2,0,0]=4 10776 B17R1.951 C=C(Cc1ccccc1)C(=O)NC(C)CCC 11a_100000741246_100000066491 [0,2,0,0,0,0|1,0,1]=4 10777 B17R1.951 C=C(Cc1ccccc1)C(=O)NC(C)CCC 1626a_100000741246_100000066491 [0,2,0,0,0,0|1,0,1]=4 10778 B17R1.951 CCCC(=O)CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000747444 [0,2,0,0,0,0|1,0,1]=4 10779 B17R1.951 CCCC(=O)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000747444 [0,2,0,0,0,0|1,0,1]=4 10780 B17R1.951 CCCC(=O)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000747444 [0,2,0,0,0,0|1,0,1]=4 10781 B17R1.951 CCCC(C)CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011216630 [0,2,0,0,0,0|1,0,0]=3 10782 B17R1.951 CCCC(C)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011216630 [0,2,0,0,0,0|1,0,0]=3 10783 B17R1.951 CCCC(C)CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011216630 [0,2,0,0,0,0|2,0,0]=4 10784 B17R1.951 CCCC(C)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011216630 [0,2,0,0,0,0|1,0,0]=3 10785 B17R1.951 CCCC(C)CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011216630 [0,2,0,0,0,0|2,0,0]=4 10786 B17R1.951 CCCC(C)CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011216630 [0,2,0,0,0,0|2,0,0]=4 10787 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccc1)/C 11a_100000741246_100016990649 [0,2,0,0,0,0|1,0,0]=3 10788 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccc1)/C 1626a_100000741246_100016990649 [0,2,0,0,0,0|1,0,0]=3 10789 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccc1)/C 527a_100000741246_100016990649 [0,2,0,0,0,0|1,0,0]=3 10790 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100000741246_200020598536 [0,2,0,0,0,0|1,0,0]=3 10791 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000741246_200020598536 [0,2,0,0,0,0|1,0,0]=3 10792 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000741246_200020598536 [0,2,0,0,0,0|1,0,0]=3 10793 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000741246_200020598536 [0,2,0,0,0,0|1,0,0]=3 10794 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccn1)/C 11a_100000741246_100025712827 [0,2,0,0,0,0|2,0,0]=4 10795 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccn1)/C 1626a_100000741246_100025712827 [0,2,0,0,0,0|2,0,0]=4 10796 B17R1.951 CCCC(C)NC(=O)/C(=C/c1ccccn1)/C 527a_100000741246_100025712827 [0,2,0,0,0,0|2,0,0]=4 10797 B17R1.951 CCCC(C)NC(=O)/C(=C\c1ccccc1)/F 11a_100000741246_100020889036 [0,2,0,0,0,0|1,0,0]=3 10798 B17R1.951 CCCC(C)NC(=O)/C(=C\c1ccccc1)/F 527a_100000741246_100020889036 [0,2,0,0,0,0|1,0,0]=3 10799 B17R1.951 CCCC(C)NC(=O)C(=Cc1cccnc1)F 11a_100000741246_100000731744 [0,2,0,0,0,0|2,0,0]=4 10800 B17R1.951 CCCC(C)NC(=O)C(=Cc1cccnc1)F 240690a_100000741246_100000731744 [0,2,0,0,0,0|2,0,0]=4 10801 B17R1.951 CCCC(C)NC(=O)C(=Cc1cccnc1)F 527a_100000741246_100000731744 [0,2,0,0,0,0|2,0,0]=4 10802 B17R1.951 CCCC(C)NC(=O)C(=O)Nc1ccccc1 240690a_100000741246_100000738435 [0,2,0,0,0,0|2,0,0]=4 10803 B17R1.951 COC[C@@H](C)NC(=O)/C(=C/c1ccccc1)/C 11a_100000764878_100016990649 [0,2,0,0,0,0|2,0,0]=4 10804 B17R1.951 COC[C@@H](C)NC(=O)/C(=C/c1ccccc1)/C 1626a_100000764878_100016990649 [0,2,0,0,0,0|2,0,0]=4 10805 B17R1.951 COC[C@@H](C)NC(=O)/C(=C/c1ccccc1)/C 527a_100000764878_100016990649 [0,2,0,0,0,0|2,0,0]=4 10806 B17R1.951 COC[C@@H](C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100000764878_200020598536 [0,2,0,0,0,0|2,0,0]=4 10807 B17R1.951 COC[C@@H](C)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000764878_200020598536 [0,2,0,0,0,0|2,0,0]=4 10808 B17R1.951 COC[C@@H](C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000764878_200020598536 [0,2,0,0,0,0|2,0,0]=4 10809 B17R1.951 COC[C@@H](C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000764878_200020598536 [0,2,0,0,0,0|2,0,0]=4 10810 B17R1.951 COC[C@@H](C)NC(=O)/C(=C\c1ccccc1)/F 11a_100000764878_100020889036 [0,2,0,0,0,0|2,0,0]=4 10811 B17R1.951 COC[C@@H](C)NC(=O)/C(=C\c1ccccc1)/F 527a_100000764878_100020889036 [0,2,0,0,0,0|2,0,0]=4 10812 B17R1.951 C[C@H](CCO)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000706166_200020598536 [0,2,0,0,0,0|2,0,0]=4 10813 B17R1.951 C[C@H](CCO)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000706166_200020598536 [0,2,0,0,0,0|2,0,0]=4 10814 B17R1.951 C[C@H](CCO)NC(=O)/C(=C\c1ccccc1)/F 527a_100000706166_100020889036 [0,2,0,0,0,0|2,0,0]=4 10815 B17R1.1375 C/C(=C\c1ccccc1)/C(=O)NCC(C)CO 527a_100000744482_100016990649 [0,2,0,0,0,0|2,0,0]=4 10816 B17R1.1375 C/C(=C\c1ccccc1)/C(=O)NC[C@@H](F)CO 527a_100015665980_100016990649 [0,2,0,0,0,0|2,0,0]=4 10817 B17R1.1375 C/C(=C\c1ccccc1)/C(=O)NC[C@H](O)CO 527a_100020644852_100016990649 [0,2,0,0,0,0|2,0,0]=4 10818 B17R1.1375 C=C(Cc1ccccc1)C(=O)NCC(C)CC 11a_100020588543_100000066491 [0,2,0,0,0,0|1,0,1]=4 10819 B17R1.1375 C=C(Cc1ccccc1)C(=O)NCC(C)CC 1626a_100020588543_100000066491 [0,2,0,0,0,0|1,0,1]=4 10820 B17R1.1375 C=C(Cc1ccccc1)C(=O)NCC(O)CC 11a_100011218483_100000066491 [0,2,0,0,0,0|1,0,1]=4 10821 B17R1.1375 CC(CO)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000744482_200020598536 [0,2,0,0,0,0|2,0,0]=4 10822 B17R1.1375 CC(CO)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000744482_200020598536 [0,2,0,0,0,0|2,0,0]=4 10823 B17R1.1375 CC(CO)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000744482_100020889036 [0,2,0,0,0,0|2,0,0]=4 10824 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/C 11a_100020588543_100016990649 [0,2,0,0,0,0|1,0,0]=3 10825 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/C 1626a_100020588543_100016990649 [0,2,0,0,0,0|1,0,0]=3 10826 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/C 527a_100020588543_100016990649 [0,2,0,0,0,0|1,0,0]=3 10827 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 10828 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 10829 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 10830 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020588543_200020598536 [0,2,0,0,0,0|1,0,0]=3 10831 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccn1)/C 11a_100020588543_100025712827 [0,2,0,0,0,0|2,0,0]=4 10832 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccn1)/C 1626a_100020588543_100025712827 [0,2,0,0,0,0|2,0,0]=4 10833 B17R1.1375 CCC(C)CNC(=O)/C(=C/c1ccccn1)/C 527a_100020588543_100025712827 [0,2,0,0,0,0|2,0,0]=4 10834 B17R1.1375 CCC(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100020588543_100020889036 [0,2,0,0,0,0|1,0,0]=3 10835 B17R1.1375 CCC(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100020588543_100020889036 [0,2,0,0,0,0|1,0,0]=3 10836 B17R1.1375 CCC(C)CNC(=O)C(=Cc1cccnc1)F 11a_100020588543_100000731744 [0,2,0,0,0,0|2,0,0]=4 10837 B17R1.1375 CCC(C)CNC(=O)C(=Cc1cccnc1)F 240690a_100020588543_100000731744 [0,2,0,0,0,0|2,0,0]=4 10838 B17R1.1375 CCC(C)CNC(=O)C(=Cc1cccnc1)F 527a_100020588543_100000731744 [0,2,0,0,0,0|2,0,0]=4 10839 B17R1.1375 CCC(C)CNC(=O)C(=O)Nc1ccccc1 240690a_100020588543_100000738435 [0,2,0,0,0,0|2,0,0]=4 10840 B17R1.1375 CCC(C)NNC(=O)/C(=C/c1ccccc1)/C 22a_100000718999_100016990649 [0,2,0,0,0,0|2,0,0]=4 10841 B17R1.1375 CCC(C)NNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000718999_200020598536 [0,2,0,0,0,0|2,0,0]=4 10842 B17R1.1375 CCC(C)NNC(=O)/C(=C\c1ccccc1)/F 22a_100000718999_100020889036 [0,2,0,0,0,0|2,0,0]=4 10843 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/C 11a_100011218483_100016990649 [0,2,0,0,0,0|1,0,0]=3 10844 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/C 527a_100011218483_100016990649 [0,2,0,0,0,0|1,0,0]=3 10845 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100011218483_200020598536 [0,2,0,0,0,0|1,0,0]=3 10846 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100011218483_200020598536 [0,2,0,0,0,0|1,0,0]=3 10847 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100011218483_200020598536 [0,2,0,0,0,0|1,0,0]=3 10848 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccn1)/C 11a_100011218483_100025712827 [0,2,0,0,0,0|2,0,0]=4 10849 B17R1.1375 CCC(O)CNC(=O)/C(=C/c1ccccn1)/C 527a_100011218483_100025712827 [0,2,0,0,0,0|2,0,0]=4 10850 B17R1.1375 CCC(O)CNC(=O)/C(=C\c1ccccc1)/F 11a_100011218483_100020889036 [0,2,0,0,0,0|1,0,0]=3 10851 B17R1.1375 CCC(O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100011218483_100020889036 [0,2,0,0,0,0|1,0,0]=3 10852 B17R1.1375 CCC(O)CNC(=O)C(=Cc1cccnc1)F 11a_100011218483_100000731744 [0,2,0,0,0,0|2,0,0]=4 10853 B17R1.1375 CCC(O)CNC(=O)C(=Cc1cccnc1)F 240690a_100011218483_100000731744 [0,2,0,0,0,0|2,0,0]=4 10854 B17R1.1375 CCC(O)CNC(=O)C(=Cc1cccnc1)F 527a_100011218483_100000731744 [0,2,0,0,0,0|2,0,0]=4 10855 B17R1.1375 CCC(O)CNC(=O)C(=O)Nc1ccccc1 240690a_100011218483_100000738435 [0,2,0,0,0,0|2,0,0]=4 10856 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/C 11a_100020591295_100016990649 [0,2,0,0,0,0|2,0,0]=4 10857 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/C 1626a_100020591295_100016990649 [0,2,0,0,0,0|2,0,0]=4 10858 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/C 527a_100020591295_100016990649 [0,2,0,0,0,0|2,0,0]=4 10859 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020591295_200020598536 [0,2,0,0,0,0|2,0,0]=4 10860 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020591295_200020598536 [0,2,0,0,0,0|2,0,0]=4 10861 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020591295_200020598536 [0,2,0,0,0,0|2,0,0]=4 10862 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020591295_200020598536 [0,2,0,0,0,0|2,0,0]=4 10863 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100020591295_100020889036 [0,2,0,0,0,0|2,0,0]=4 10864 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100020591295_100020889036 [0,2,0,0,0,0|2,0,0]=4 10865 B17R1.1375 O=C(NC[C@@H](F)CO)/C(=C/c1ccccc1)/Cl 240690a_100015665980_200020598536 [0,2,0,0,0,0|2,0,0]=4 10866 B17R1.1375 O=C(NC[C@@H](F)CO)/C(=C/c1ccccc1)/Cl 527a_100015665980_200020598536 [0,2,0,0,0,0|2,0,0]=4 10867 B17R1.1375 O=C(NC[C@@H](F)CO)/C(=C\c1ccccc1)/F 527a_100015665980_100020889036 [0,2,0,0,0,0|2,0,0]=4 10868 B17R1.1375 O=C(NC[C@H](O)CO)/C(=C/c1ccccc1)/Cl 240690a_100020644852_200020598536 [0,2,0,0,0,0|2,0,0]=4 10869 B17R1.1375 O=C(NC[C@H](O)CO)/C(=C/c1ccccc1)/Cl 527a_100020644852_200020598536 [0,2,0,0,0,0|2,0,0]=4 10870 B17R1.1375 O=C(NC[C@H](O)CO)/C(=C\c1ccccc1)/F 527a_100020644852_100020889036 [0,2,0,0,0,0|2,0,0]=4 10871 B17R1.1572 C/C(=C\c1ccccc1)/C(=O)N(C)CCCO 527a_100000213112_100016990649 [0,2,0,0,0,0|2,0,0]=4 10872 B17R1.1572 C=C(Cc1ccccc1)C(=O)N(C)CCCC 11a_100000207549_100000066491 [0,2,0,0,0,0|1,0,1]=4 10873 B17R1.1572 C=C(Cc1ccccc1)C(=O)N(C)CCCC 1626a_100000207549_100000066491 [0,2,0,0,0,0|1,0,1]=4 10874 B17R1.1572 CCCCC(C)C(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200011215066 [0,2,0,0,0,0|1,0,0]=3 10875 B17R1.1572 CCCCC(C)C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200011215066 [0,2,0,0,0,0|1,0,0]=3 10876 B17R1.1572 CCCCC(C)C(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200011215066 [0,2,0,0,0,0|2,0,0]=4 10877 B17R1.1572 CCCCC(C)C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200011215066 [0,2,0,0,0,0|1,0,0]=3 10878 B17R1.1572 CCCCC(C)C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200011215066 [0,2,0,0,0,0|2,0,0]=4 10879 B17R1.1572 CCCCC(C)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200011215066 [0,2,0,0,0,0|2,0,0]=4 10880 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000207549_100016990649 [0,2,0,0,0,0|1,0,0]=3 10881 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000207549_100016990649 [0,2,0,0,0,0|1,0,0]=3 10882 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000207549_100016990649 [0,2,0,0,0,0|1,0,0]=3 10883 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000207549_200020598536 [0,2,0,0,0,0|1,0,0]=3 10884 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000207549_200020598536 [0,2,0,0,0,0|1,0,0]=3 10885 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000207549_200020598536 [0,2,0,0,0,0|1,0,0]=3 10886 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000207549_200020598536 [0,2,0,0,0,0|1,0,0]=3 10887 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccn1)/C 11a_100000207549_100025712827 [0,2,0,0,0,0|2,0,0]=4 10888 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccn1)/C 1626a_100000207549_100025712827 [0,2,0,0,0,0|2,0,0]=4 10889 B17R1.1572 CCCCN(C)C(=O)/C(=C/c1ccccn1)/C 527a_100000207549_100025712827 [0,2,0,0,0,0|2,0,0]=4 10890 B17R1.1572 CCCCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000207549_100020889036 [0,2,0,0,0,0|1,0,0]=3 10891 B17R1.1572 CCCCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000207549_100020889036 [0,2,0,0,0,0|1,0,0]=3 10892 B17R1.1572 CCCCN(C)C(=O)C(=Cc1cccnc1)F 11a_100000207549_100000731744 [0,2,0,0,0,0|2,0,0]=4 10893 B17R1.1572 CCCCN(C)C(=O)C(=Cc1cccnc1)F 240690a_100000207549_100000731744 [0,2,0,0,0,0|2,0,0]=4 10894 B17R1.1572 CCCCN(C)C(=O)C(=Cc1cccnc1)F 527a_100000207549_100000731744 [0,2,0,0,0,0|2,0,0]=4 10895 B17R1.1572 CCCCN(C)C(=O)C(=O)Nc1ccccc1 240690a_100000207549_100000738435 [0,2,0,0,0,0|2,0,0]=4 10896 B17R1.1572 CN(CCCO)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000213112_200020598536 [0,2,0,0,0,0|2,0,0]=4 10897 B17R1.1572 CN(CCCO)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000213112_200020598536 [0,2,0,0,0,0|2,0,0]=4 10898 B17R1.1572 CN(CCCO)C(=O)/C(=C\c1ccccc1)/F 527a_100000213112_100020889036 [0,2,0,0,0,0|2,0,0]=4 10899 B17R1.1572 COCCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000743101_100016990649 [0,2,0,0,0,0|2,0,0]=4 10900 B17R1.1572 COCCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000743101_100016990649 [0,2,0,0,0,0|2,0,0]=4 10901 B17R1.1572 COCCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000743101_100016990649 [0,2,0,0,0,0|2,0,0]=4 10902 B17R1.1572 COCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000743101_200020598536 [0,2,0,0,0,0|2,0,0]=4 10903 B17R1.1572 COCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000743101_200020598536 [0,2,0,0,0,0|2,0,0]=4 10904 B17R1.1572 COCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000743101_200020598536 [0,2,0,0,0,0|2,0,0]=4 10905 B17R1.1572 COCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000743101_200020598536 [0,2,0,0,0,0|2,0,0]=4 10906 B17R1.1572 COCCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000743101_100020889036 [0,2,0,0,0,0|2,0,0]=4 10907 B17R1.1572 COCCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000743101_100020889036 [0,2,0,0,0,0|2,0,0]=4 10908 B17R1.1572 CSCCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000686725_100016990649 [0,2,0,0,0,0|2,0,0]=4 10909 B17R1.1572 CSCCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000686725_100016990649 [0,2,0,0,0,0|2,0,0]=4 10910 B17R1.1572 CSCCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000686725_100016990649 [0,2,0,0,0,0|2,0,0]=4 10911 B17R1.1572 CSCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000686725_200020598536 [0,2,0,0,0,0|2,0,0]=4 10912 B17R1.1572 CSCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000686725_200020598536 [0,2,0,0,0,0|2,0,0]=4 10913 B17R1.1572 CSCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000686725_200020598536 [0,2,0,0,0,0|2,0,0]=4 10914 B17R1.1572 CSCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000686725_200020598536 [0,2,0,0,0,0|2,0,0]=4 10915 B17R1.1572 CSCCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000686725_100020889036 [0,2,0,0,0,0|2,0,0]=4 10916 B17R1.1572 CSCCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000686725_100020889036 [0,2,0,0,0,0|2,0,0]=4 10917 B17R1.4026 CCCCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210326 [0,2,0,0,0,0|1,0,0]=3 10918 B17R1.4026 CCCCNC(=O)C(=Cc1ccccc1)C#N 527a_100000102301_100000162679 [0,2,0,0,0,0|1,0,0]=3 10919 B17R1.4026 CCCCOC(=O)C(=Cc1cncnc1)C#N 6a_100000749868_100000212043 [0,2,0,0,0,0|2,0,0]=4 10920 B17R1.4026 CCCNNC(=O)C(=Cc1ccccc1)C#N 22a_100000740057_100000162679 [0,2,0,0,0,0|2,0,0]=4 10921 B17R1.4026 CCOCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100011215890 [0,2,0,0,0,0|2,0,0]=4 10922 B17R1.4026 CCSCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000757381 [0,2,0,0,0,0|2,0,0]=4 10923 B17R1.4026 COCCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000740836 [0,2,0,0,0,0|2,0,0]=4 10924 B17R1.4026 COCCNC(=O)C(=Cc1ccccc1)C#N 527a_100000209980_100000162679 [0,2,0,0,0,0|2,0,0]=4 10925 B17R1.4026 CSCCNC(=O)C(=Cc1ccccc1)C#N 527a_100020590264_100000162679 [0,2,0,0,0,0|2,0,0]=4 10926 B17R1.4026 N#CC(=Cc1ccccc1)C(=O)CCCCF 1458a_100000162679_100000729493 [0,2,0,0,0,0|2,0,0]=4 10927 B17R1.4026 N#CC(=Cc1ccccc1)C(=O)CCCCO 1458a_100000162679_100000210776 [0,2,0,0,0,0|2,0,0]=4 10928 B17R1.4026 N#CC(=Cc1ccccc1)C(=O)NCCCF 527a_100015189416_100000162679 [0,2,0,0,0,0|2,0,0]=4 10929 B17R1.4026 N#CC(=Cc1ccccc1)C(=O)NCCCO 527a_100000182051_100000162679 [0,2,0,0,0,0|2,0,0]=4 10930 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)CCCCF 1458a_100000693296_100000729493 [0,2,0,0,0,0|2,0,0]=4 10931 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)CCCCO 1458a_100000693296_100000210776 [0,2,0,0,0,0|2,0,0]=4 10932 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)NCCCF 11a_100015189416_100000693296 [0,2,0,0,0,0|2,0,0]=4 10933 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)NCCCF 1626a_100015189416_100000693296 [0,2,0,0,0,0|2,0,0]=4 10934 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)NCCCF 240690a_100015189416_100000693296 [0,2,0,0,0,0|2,0,0]=4 10935 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)NCCCF 527a_100015189416_100000693296 [0,2,0,0,0,0|2,0,0]=4 10936 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)NCCCO 240690a_100000182051_100000693296 [0,2,0,0,0,0|2,0,0]=4 10937 B17R1.6763 CC(=Cc1ccccc1Cl)C(=O)NCCCO 527a_100000182051_100000693296 [0,2,0,0,0,0|2,0,0]=4 10938 B17R1.6763 CCCCCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000210326 [0,2,0,0,0,0|1,0,0]=3 10939 B17R1.6763 CCCCCC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_100000210326 [0,2,0,0,0,0|2,0,0]=4 10940 B17R1.6763 CCCCCC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_100000210326 [0,2,0,0,0,0|2,0,0]=4 10941 B17R1.6763 CCCCNC(=O)C(=Cc1ccccc1Cl)C 11a_100000102301_100000693296 [0,2,0,0,0,0|1,0,0]=3 10942 B17R1.6763 CCCCNC(=O)C(=Cc1ccccc1Cl)C 1626a_100000102301_100000693296 [0,2,0,0,0,0|1,0,0]=3 10943 B17R1.6763 CCCCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100000102301_100000693296 [0,2,0,0,0,0|1,0,0]=3 10944 B17R1.6763 CCCCNC(=O)C(=Cc1ccccc1Cl)C 527a_100000102301_100000693296 [0,2,0,0,0,0|1,0,0]=3 10945 B17R1.6763 CCCCNC(=O)C(=O)Nc1ccccc1C 240690a_100000102301_200011297352 [0,2,0,0,0,0|2,0,0]=4 10946 B17R1.6763 CCCCNC(=O)C(=O)Nc1ccccc1Cl 240690a_100000102301_200011297307 [0,2,0,0,0,0|2,0,0]=4 10947 B17R1.6763 CCCCNC(=O)C(=O)Nc1ccccc1F 240690a_100000102301_200011297310 [0,2,0,0,0,0|2,0,0]=4 10948 B17R1.6763 CCCCOC(=O)C(C)Nc1ccccc1Br 34a_100000210017_100000759602 [0,2,0,0,0,0|1,0,1]=4 10949 B17R1.6763 CCCCOC(=O)C(C)Nc1ccccc1C 34a_100015192222_100000759602 [0,2,0,0,0,0|1,0,1]=4 10950 B17R1.6763 CCCCOC(=O)C(C)Nc1ccccc1Cl 34a_100000185783_100000759602 [0,2,0,0,0,0|1,0,1]=4 10951 B17R1.6763 CCCCOC(=O)C(C)Nc1ccccc1F 34a_100000210422_100000759602 [0,2,0,0,0,0|1,0,1]=4 10952 B17R1.6763 CCCCOC(=O)C(C)Nc1ccccc1I 34a_100000210053_100000759602 [0,2,0,0,0,0|1,0,1]=4 10953 B17R1.6763 CCCCOC(=O)C(C)Nc1ccccc1O 34a_100000185747_100000759602 [0,2,0,0,0,0|1,0,1]=4 10954 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1Br 34a_100000181306_100000759602 [0,2,0,0,0,0|1,0,1]=4 10955 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000759602 [0,2,0,0,0,0|1,0,1]=4 10956 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1C 34a_100000210338_100000759602 [0,2,0,0,0,0|1,0,1]=4 10957 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000759602 [0,2,0,0,0,0|1,0,1]=4 10958 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1Cl 34a_100000210172_100000759602 [0,2,0,0,0,0|1,0,1]=4 10959 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000759602 [0,2,0,0,0,0|1,0,1]=4 10960 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1F 34a_100000210171_100000759602 [0,2,0,0,0,0|1,0,1]=4 10961 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000759602 [0,2,0,0,0,0|1,0,1]=4 10962 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1I 34a_100000739446_100000759602 [0,2,0,0,0,0|1,0,1]=4 10963 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000759602 [0,2,0,0,0,0|1,0,1]=4 10964 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1N 34a_100000185747_100000759602 [0,2,0,0,0,0|1,0,1]=4 10965 B17R1.6763 CCCCOC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000759602 [0,2,0,0,0,0|1,0,1]=4 10966 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100000759602 [0,2,0,0,0,0|1,0,1]=4 10967 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1Br 62a_100000759602_100000695589 [0,2,0,0,0,0|1,0,1]=4 10968 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1C 62a_100000210755_100000759602 [0,2,0,0,0,0|1,0,1]=4 10969 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1C 62a_100000759602_100000210755 [0,2,0,0,0,0|1,0,1]=4 10970 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1Cl 62a_100000759602_100000764095 [0,2,0,0,0,0|1,0,1]=4 10971 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100000759602 [0,2,0,0,0,0|1,0,1]=4 10972 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1F 62a_100000759602_100011215700 [0,2,0,0,0,0|1,0,1]=4 10973 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1F 62a_100011215700_100000759602 [0,2,0,0,0,0|1,0,1]=4 10974 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1N 62a_100000210017_100000759602 [0,2,0,0,0,0|1,0,1]=4 10975 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1N 62a_100000759602_100000210017 [0,2,0,0,0,0|1,0,1]=4 10976 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1O 62a_100000739446_100000759602 [0,2,0,0,0,0|1,0,1]=4 10977 B17R1.6763 CCCCOC(=O)C(C)Sc1ccccc1O 62a_100000759602_100000739446 [0,2,0,0,0,0|1,0,1]=4 10978 B17R1.6763 CCCNNC(=O)C(=Cc1ccccc1Cl)C 22a_100000740057_100000693296 [0,2,0,0,0,0|2,0,0]=4 10979 B17R1.6763 CCOCCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100011215890 [0,2,0,0,0,0|2,0,0]=4 10980 B17R1.6763 CCSCCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000757381 [0,2,0,0,0,0|2,0,0]=4 10981 B17R1.6763 COCCCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000740836 [0,2,0,0,0,0|2,0,0]=4 10982 B17R1.6763 COCCNC(=O)C(=Cc1ccccc1Cl)C 1626a_100000209980_100000693296 [0,2,0,0,0,0|2,0,0]=4 10983 B17R1.6763 COCCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100000209980_100000693296 [0,2,0,0,0,0|2,0,0]=4 10984 B17R1.6763 COCCNC(=O)C(=Cc1ccccc1Cl)C 527a_100000209980_100000693296 [0,2,0,0,0,0|2,0,0]=4 10985 B17R1.6763 CSCCNC(=O)C(=Cc1ccccc1Cl)C 11a_100020590264_100000693296 [0,2,0,0,0,0|2,0,0]=4 10986 B17R1.6763 CSCCNC(=O)C(=Cc1ccccc1Cl)C 1626a_100020590264_100000693296 [0,2,0,0,0,0|2,0,0]=4 10987 B17R1.6763 CSCCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100020590264_100000693296 [0,2,0,0,0,0|2,0,0]=4 10988 B17R1.6763 CSCCNC(=O)C(=Cc1ccccc1Cl)C 527a_100020590264_100000693296 [0,2,0,0,0,0|2,0,0]=4 10989 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000753921_100000210462 [0,2,0,0,0,0|1,0,0]=3 10990 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000753921_100000210462 [0,2,0,0,0,0|1,0,0]=3 10991 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccn1 11a_100000753921_100000740811 [0,2,0,0,0,0|2,0,0]=4 10992 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccccn1 240690a_100000753921_100000740811 [0,2,0,0,0,0|2,0,0]=4 10993 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1cccnc1 11a_100000753921_100000735890 [0,2,0,0,0,0|2,0,0]=4 10994 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1cccnc1 240690a_100000753921_100000735890 [0,2,0,0,0,0|2,0,0]=4 10995 B17R1.913 CCC(C)CN(C)C(=O)C=Cc1ccncc1 240690a_100000753921_100000682801 [0,2,0,0,0,0|2,0,0]=4 10996 B17R1.8357 CCC(=O)C(C)NC(=O)C=Cc1ccccc1 1458a_100015194556_100000210202 [0,2,0,0,0,0|1,0,1]=4 10997 B17R1.9042 CC(CO)CNC(=O)C=Cc1ccccc1Br 240690a_100000744482_100000719032 [0,2,0,0,0,0|2,0,0]=4 10998 B17R1.9042 CC(CO)CNC(=O)C=Cc1ccccc1Cl 240690a_100000744482_100000720304 [0,2,0,0,0,0|2,0,0]=4 10999 B17R1.9042 CC(CO)CNC(=O)C=Cc1ccccc1F 240690a_100000744482_100016256065 [0,2,0,0,0,0|2,0,0]=4 11000 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Br 11a_100020588543_100000719032 [0,2,0,0,0,0|1,0,0]=3 11001 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Br 1626a_100020588543_100000719032 [0,2,0,0,0,0|1,0,0]=3 11002 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Br 240690a_100020588543_100000719032 [0,2,0,0,0,0|1,0,0]=3 11003 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1C 1626a_100020588543_100016266485 [0,2,0,0,0,0|1,0,0]=3 11004 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Cl 11a_100020588543_100000720304 [0,2,0,0,0,0|1,0,0]=3 11005 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100020588543_100000720304 [0,2,0,0,0,0|1,0,0]=3 11006 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100020588543_100000720304 [0,2,0,0,0,0|1,0,0]=3 11007 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1F 11a_100020588543_100016256065 [0,2,0,0,0,0|1,0,0]=3 11008 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1F 1626a_100020588543_100016256065 [0,2,0,0,0,0|1,0,0]=3 11009 B17R1.9042 CCC(C)CNC(=O)C=Cc1ccccc1F 240690a_100020588543_100016256065 [0,2,0,0,0,0|1,0,0]=3 11010 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1Br 22a_100000718999_100000719032 [0,2,0,0,0,0|2,0,0]=4 11011 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1C 22a_100000718999_100016266485 [0,2,0,0,0,0|2,0,0]=4 11012 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1Cl 22a_100000718999_100000720304 [0,2,0,0,0,0|2,0,0]=4 11013 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1F 22a_100000718999_100016256065 [0,2,0,0,0,0|2,0,0]=4 11014 B17R1.9042 CCC(C)NNC(=O)C=Cc1ccccc1O 22a_100000718999_100016263591 [0,2,0,0,0,0|2,0,0]=4 11015 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Br 11a_100011218483_100000719032 [0,2,0,0,0,0|1,0,0]=3 11016 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Br 240690a_100011218483_100000719032 [0,2,0,0,0,0|1,0,0]=3 11017 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Cl 11a_100011218483_100000720304 [0,2,0,0,0,0|1,0,0]=3 11018 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1Cl 240690a_100011218483_100000720304 [0,2,0,0,0,0|1,0,0]=3 11019 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1F 11a_100011218483_100016256065 [0,2,0,0,0,0|1,0,0]=3 11020 B17R1.9042 CCC(O)CNC(=O)C=Cc1ccccc1F 240690a_100011218483_100016256065 [0,2,0,0,0,0|1,0,0]=3 11021 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br 11a_100020591295_100000719032 [0,2,0,0,0,0|2,0,0]=4 11022 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br 1626a_100020591295_100000719032 [0,2,0,0,0,0|2,0,0]=4 11023 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br 240690a_100020591295_100000719032 [0,2,0,0,0,0|2,0,0]=4 11024 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1C 1626a_100020591295_100016266485 [0,2,0,0,0,0|2,0,0]=4 11025 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Cl 11a_100020591295_100000720304 [0,2,0,0,0,0|2,0,0]=4 11026 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Cl 1626a_100020591295_100000720304 [0,2,0,0,0,0|2,0,0]=4 11027 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Cl 240690a_100020591295_100000720304 [0,2,0,0,0,0|2,0,0]=4 11028 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1F 11a_100020591295_100016256065 [0,2,0,0,0,0|2,0,0]=4 11029 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1F 1626a_100020591295_100016256065 [0,2,0,0,0,0|2,0,0]=4 11030 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1F 240690a_100020591295_100016256065 [0,2,0,0,0,0|2,0,0]=4 11031 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@@H](F)CO 240690a_100015665980_100000719032 [0,2,0,0,0,0|2,0,0]=4 11032 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@H](O)CO 240690a_100020644852_100000719032 [0,2,0,0,0,0|2,0,0]=4 11033 B17R1.9042 O=C(C=Cc1ccccc1Cl)NC[C@@H](F)CO 240690a_100015665980_100000720304 [0,2,0,0,0,0|2,0,0]=4 11034 B17R1.9042 O=C(C=Cc1ccccc1Cl)NC[C@H](O)CO 240690a_100020644852_100000720304 [0,2,0,0,0,0|2,0,0]=4 11035 B17R1.9042 O=C(C=Cc1ccccc1F)NC[C@@H](F)CO 240690a_100015665980_100016256065 [0,2,0,0,0,0|2,0,0]=4 11036 B17R1.9042 O=C(C=Cc1ccccc1F)NC[C@H](O)CO 240690a_100020644852_100016256065 [0,2,0,0,0,0|2,0,0]=4 11037 B17R1.13184 CCS(=O)(=O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000756660 [0,2,0,0,0,0|2,0,0]=4 11038 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1ccccc1 11a_100000763424_100000210462 [0,2,0,0,0,0|2,0,0]=4 11039 B17R1.13184 COC(C)(C)CNC(=O)C=Cc1ccccc1 1626a_100000763424_100000210462 [0,2,0,0,0,0|2,0,0]=4 11040 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccc1 11a_100102946423_100000210462 [0,2,0,0,0,0|1,0,0]=3 11041 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccc1 1626a_100102946423_100000210462 [0,2,0,0,0,0|1,0,0]=3 11042 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccn1 11a_100102946423_100000740811 [0,2,0,0,0,0|2,0,0]=4 11043 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccccn1 240690a_100102946423_100000740811 [0,2,0,0,0,0|2,0,0]=4 11044 B17R1.19379 CCC(CC)CNC(=O)C=Cc1cccnc1 11a_100102946423_100000735890 [0,2,0,0,0,0|2,0,0]=4 11045 B17R1.19379 CCC(CC)CNC(=O)C=Cc1cccnc1 240690a_100102946423_100000735890 [0,2,0,0,0,0|2,0,0]=4 11046 B17R1.19379 CCC(CC)CNC(=O)C=Cc1ccncc1 240690a_100102946423_100000682801 [0,2,0,0,0,0|2,0,0]=4 11047 B17R1.19379 CCC(CC)NNC(=O)C=Cc1ccccc1 22a_100000756293_100000210462 [0,2,0,0,0,0|2,0,0]=4 11048 B17R1.19379 CCC(CNC(=O)C=Cc1ccccc1)OC 11a_100000731041_100000210462 [0,2,0,0,0,0|1,0,0]=3 11049 B17R1.19379 CCC(CNC(=O)C=Cc1ccccc1)OC 1626a_100000731041_100000210462 [0,2,0,0,0,0|1,0,0]=3 11050 B17R1.19379 CCC(CNC(=O)C=Cc1ccccn1)OC 11a_100000731041_100000740811 [0,2,0,0,0,0|2,0,0]=4 11051 B17R1.19379 CCC(CNC(=O)C=Cc1ccccn1)OC 240690a_100000731041_100000740811 [0,2,0,0,0,0|2,0,0]=4 11052 B17R1.19379 CCC(CNC(=O)C=Cc1cccnc1)OC 11a_100000731041_100000735890 [0,2,0,0,0,0|2,0,0]=4 11053 B17R1.19379 CCC(CNC(=O)C=Cc1cccnc1)OC 240690a_100000731041_100000735890 [0,2,0,0,0,0|2,0,0]=4 11054 B17R1.19379 CCC(CNC(=O)C=Cc1ccncc1)OC 240690a_100000731041_100000682801 [0,2,0,0,0,0|2,0,0]=4 11055 B17R1.19379 CCN(CC)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000700428 [0,2,0,0,0,0|2,0,0]=4 11056 B17R1.19379 COC(CCC(=O)C=Cc1ccccc1)OC 1458a_100000210462_100000139399 [0,2,0,0,0,0|2,0,0]=4 11057 B17R1.19379 COC(CNC(=O)C=Cc1ccccc1)OC 11a_100000210479_100000210462 [0,2,0,0,0,0|2,0,0]=4 11058 B17R1.19379 COC(CNC(=O)C=Cc1ccccc1)OC 1626a_100000210479_100000210462 [0,2,0,0,0,0|2,0,0]=4 11059 B17R1.26714 CCC(C)CNS(=O)(=O)C=Cc1ccccc1 40a_100020588543_100011098038 [0,2,0,0,0,0|2,0,0]=4 11060 B17R1.26714 CCC(O)CNS(=O)(=O)C=Cc1ccccc1 40a_100011218483_100011098038 [0,2,0,0,0,0|2,0,0]=4 11061 B17R1.4100 CCCCC(CC)C(=O)C=Cc1ccccc1 1458a_100000210462_200011216223 [0,2,0,0,0,0|1,0,0]=3 11062 B17R1.4100 CCCCC(CC)C(=O)C=Cc1ccccn1 1458a_100000740811_200011216223 [0,2,0,0,0,0|2,0,0]=4 11063 B17R1.4100 CCCCC(CC)C(=O)C=Cc1cccnc1 1458a_100000735890_200011216223 [0,2,0,0,0,0|2,0,0]=4 11064 B17R1.4100 CCCCC(CC)C(=O)C=Cc1ccncc1 1458a_100000682801_200011216223 [0,2,0,0,0,0|2,0,0]=4 11065 B17R1.4100 CCCCN(CC)C(=O)C=Cc1ccccc1 11a_100000207695_100000210462 [0,2,0,0,0,0|1,0,0]=3 11066 B17R1.4100 CCCCN(CC)C(=O)C=Cc1ccccc1 1626a_100000207695_100000210462 [0,2,0,0,0,0|1,0,0]=3 11067 B17R1.4100 CCCCN(CC)C(=O)C=Cc1ccccn1 11a_100000207695_100000740811 [0,2,0,0,0,0|2,0,0]=4 11068 B17R1.4100 CCCCN(CC)C(=O)C=Cc1ccccn1 240690a_100000207695_100000740811 [0,2,0,0,0,0|2,0,0]=4 11069 B17R1.4100 CCCCN(CC)C(=O)C=Cc1cccnc1 11a_100000207695_100000735890 [0,2,0,0,0,0|2,0,0]=4 11070 B17R1.4100 CCCCN(CC)C(=O)C=Cc1cccnc1 240690a_100000207695_100000735890 [0,2,0,0,0,0|2,0,0]=4 11071 B17R1.4100 CCCCN(CC)C(=O)C=Cc1ccncc1 240690a_100000207695_100000682801 [0,2,0,0,0,0|2,0,0]=4 11072 B17R1.4100 CCN(CCOC)C(=O)C=Cc1ccccc1 11a_100000731262_100000210462 [0,2,0,0,0,0|2,0,0]=4 11073 B17R1.4100 CCN(CCOC)C(=O)C=Cc1ccccc1 1626a_100000731262_100000210462 [0,2,0,0,0,0|2,0,0]=4 11074 B17R1.9122 CCCCC(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_200011215066 [0,2,0,0,0,0|1,0,0]=3 11075 B17R1.9122 CCCCC(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200011215066 [0,2,0,0,0,0|1,0,0]=3 11076 B17R1.9122 CCCCC(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_200011215066 [0,2,0,0,0,0|1,0,0]=3 11077 B17R1.9122 CCCCC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_200011215066 [0,2,0,0,0,0|1,0,0]=3 11078 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1Br 11a_100000207549_100000719032 [0,2,0,0,0,0|1,0,0]=3 11079 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000207549_100000719032 [0,2,0,0,0,0|1,0,0]=3 11080 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000207549_100000719032 [0,2,0,0,0,0|1,0,0]=3 11081 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1C 1626a_100000207549_100016266485 [0,2,0,0,0,0|1,0,0]=3 11082 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000207549_100000720304 [0,2,0,0,0,0|1,0,0]=3 11083 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000207549_100000720304 [0,2,0,0,0,0|1,0,0]=3 11084 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000207549_100000720304 [0,2,0,0,0,0|1,0,0]=3 11085 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1F 11a_100000207549_100016256065 [0,2,0,0,0,0|1,0,0]=3 11086 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1F 1626a_100000207549_100016256065 [0,2,0,0,0,0|1,0,0]=3 11087 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1F 240690a_100000207549_100016256065 [0,2,0,0,0,0|1,0,0]=3 11088 B17R1.9122 CN(CCCO)C(=O)C=Cc1ccccc1Br 240690a_100000213112_100000719032 [0,2,0,0,0,0|2,0,0]=4 11089 B17R1.9122 CN(CCCO)C(=O)C=Cc1ccccc1Cl 240690a_100000213112_100000720304 [0,2,0,0,0,0|2,0,0]=4 11090 B17R1.9122 CN(CCCO)C(=O)C=Cc1ccccc1F 240690a_100000213112_100016256065 [0,2,0,0,0,0|2,0,0]=4 11091 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Br 11a_100000743101_100000719032 [0,2,0,0,0,0|2,0,0]=4 11092 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000743101_100000719032 [0,2,0,0,0,0|2,0,0]=4 11093 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000743101_100000719032 [0,2,0,0,0,0|2,0,0]=4 11094 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1C 1626a_100000743101_100016266485 [0,2,0,0,0,0|2,0,0]=4 11095 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000743101_100000720304 [0,2,0,0,0,0|2,0,0]=4 11096 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000743101_100000720304 [0,2,0,0,0,0|2,0,0]=4 11097 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000743101_100000720304 [0,2,0,0,0,0|2,0,0]=4 11098 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1F 11a_100000743101_100016256065 [0,2,0,0,0,0|2,0,0]=4 11099 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1F 1626a_100000743101_100016256065 [0,2,0,0,0,0|2,0,0]=4 11100 B17R1.9122 COCCN(C)C(=O)C=Cc1ccccc1F 240690a_100000743101_100016256065 [0,2,0,0,0,0|2,0,0]=4 11101 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1Br 11a_100000686725_100000719032 [0,2,0,0,0,0|2,0,0]=4 11102 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000686725_100000719032 [0,2,0,0,0,0|2,0,0]=4 11103 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000686725_100000719032 [0,2,0,0,0,0|2,0,0]=4 11104 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1C 1626a_100000686725_100016266485 [0,2,0,0,0,0|2,0,0]=4 11105 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000686725_100000720304 [0,2,0,0,0,0|2,0,0]=4 11106 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000686725_100000720304 [0,2,0,0,0,0|2,0,0]=4 11107 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000686725_100000720304 [0,2,0,0,0,0|2,0,0]=4 11108 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1F 11a_100000686725_100016256065 [0,2,0,0,0,0|2,0,0]=4 11109 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1F 1626a_100000686725_100016256065 [0,2,0,0,0,0|2,0,0]=4 11110 B17R1.9122 CSCCN(C)C(=O)C=Cc1ccccc1F 240690a_100000686725_100016256065 [0,2,0,0,0,0|2,0,0]=4 11111 B17R1.30262 CCCCN(C)S(=O)(=O)C=Cc1ccccc1 40a_100000207549_100011098038 [0,2,0,0,0,0|2,0,0]=4 11112 B17R1.4571 CCCC(=O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000747444 [0,2,0,0,0,0|1,0,1]=4 11113 B17R1.4571 CCCC(=O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000747444 [0,2,0,0,0,0|1,0,1]=4 11114 B17R1.4571 CCCC(=O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000747444 [0,2,0,0,0,0|1,0,1]=4 11115 B17R1.4571 CCCC(=O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000747444 [0,2,0,0,0,0|1,0,1]=4 11116 B17R1.4571 CCCC(C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011216630 [0,2,0,0,0,0|1,0,0]=3 11117 B17R1.4571 CCCC(C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011216630 [0,2,0,0,0,0|1,0,0]=3 11118 B17R1.4571 CCCC(C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100011216630 [0,2,0,0,0,0|1,0,0]=3 11119 B17R1.4571 CCCC(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100011216630 [0,2,0,0,0,0|1,0,0]=3 11120 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1Br 11a_100000741246_100000719032 [0,2,0,0,0,0|1,0,0]=3 11121 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1Br 1626a_100000741246_100000719032 [0,2,0,0,0,0|1,0,0]=3 11122 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1Br 240690a_100000741246_100000719032 [0,2,0,0,0,0|1,0,0]=3 11123 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1C 1626a_100000741246_100016266485 [0,2,0,0,0,0|1,0,0]=3 11124 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1Cl 11a_100000741246_100000720304 [0,2,0,0,0,0|1,0,0]=3 11125 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1Cl 1626a_100000741246_100000720304 [0,2,0,0,0,0|1,0,0]=3 11126 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1Cl 240690a_100000741246_100000720304 [0,2,0,0,0,0|1,0,0]=3 11127 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1F 11a_100000741246_100016256065 [0,2,0,0,0,0|1,0,0]=3 11128 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1F 1626a_100000741246_100016256065 [0,2,0,0,0,0|1,0,0]=3 11129 B17R1.4571 CCCC(C)NC(=O)C=Cc1ccccc1F 240690a_100000741246_100016256065 [0,2,0,0,0,0|1,0,0]=3 11130 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Br 11a_100000764878_100000719032 [0,2,0,0,0,0|2,0,0]=4 11131 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Br 1626a_100000764878_100000719032 [0,2,0,0,0,0|2,0,0]=4 11132 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Br 240690a_100000764878_100000719032 [0,2,0,0,0,0|2,0,0]=4 11133 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1C 1626a_100000764878_100016266485 [0,2,0,0,0,0|2,0,0]=4 11134 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Cl 11a_100000764878_100000720304 [0,2,0,0,0,0|2,0,0]=4 11135 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Cl 1626a_100000764878_100000720304 [0,2,0,0,0,0|2,0,0]=4 11136 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1Cl 240690a_100000764878_100000720304 [0,2,0,0,0,0|2,0,0]=4 11137 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1F 11a_100000764878_100016256065 [0,2,0,0,0,0|2,0,0]=4 11138 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1F 1626a_100000764878_100016256065 [0,2,0,0,0,0|2,0,0]=4 11139 B17R1.4571 COC[C@@H](C)NC(=O)C=Cc1ccccc1F 240690a_100000764878_100016256065 [0,2,0,0,0,0|2,0,0]=4 11140 B17R1.4571 C[C@H](CCO)NC(=O)C=Cc1ccccc1Br 240690a_100000706166_100000719032 [0,2,0,0,0,0|2,0,0]=4 11141 B17R1.4571 C[C@H](CCO)NC(=O)C=Cc1ccccc1Cl 240690a_100000706166_100000720304 [0,2,0,0,0,0|2,0,0]=4 11142 B17R1.4571 C[C@H](CCO)NC(=O)C=Cc1ccccc1F 240690a_100000706166_100016256065 [0,2,0,0,0,0|2,0,0]=4 11143 B17R1.6234 CCC(COC)NC(=O)C=Cc1ccccc1 11a_100000757820_100000210462 [0,2,0,0,0,0|2,0,0]=4 11144 B17R1.6234 CCC(COC)NC(=O)C=Cc1ccccc1 1626a_100000757820_100000210462 [0,2,0,0,0,0|2,0,0]=4 11145 B17R1.6234 CCCC(CC)NC(=O)C=Cc1ccccc1 11a_100000747048_100000210462 [0,2,0,0,0,0|1,0,0]=3 11146 B17R1.6234 CCCC(CC)NC(=O)C=Cc1ccccc1 1626a_100000747048_100000210462 [0,2,0,0,0,0|1,0,0]=3 11147 B17R1.6234 CCCC(CC)NC(=O)C=Cc1ccccn1 11a_100000747048_100000740811 [0,2,0,0,0,0|2,0,0]=4 11148 B17R1.6234 CCCC(CC)NC(=O)C=Cc1ccccn1 240690a_100000747048_100000740811 [0,2,0,0,0,0|2,0,0]=4 11149 B17R1.6234 CCCC(CC)NC(=O)C=Cc1cccnc1 11a_100000747048_100000735890 [0,2,0,0,0,0|2,0,0]=4 11150 B17R1.6234 CCCC(CC)NC(=O)C=Cc1cccnc1 240690a_100000747048_100000735890 [0,2,0,0,0,0|2,0,0]=4 11151 B17R1.6234 CCCC(CC)NC(=O)C=Cc1ccncc1 240690a_100000747048_100000682801 [0,2,0,0,0,0|2,0,0]=4 11152 B17R1.6234 CCC[C@@H](CO)NC(=O)C=Cc1ccccn1 240690a_100000732646_100000740811 [0,2,0,0,0,0|2,0,0]=4 11153 B17R1.6234 CCC[C@@H](CO)NC(=O)C=Cc1cccnc1 240690a_100000732646_100000735890 [0,2,0,0,0,0|2,0,0]=4 11154 B17R1.6234 CCC[C@@H](CO)NC(=O)C=Cc1ccncc1 240690a_100000732646_100000682801 [0,2,0,0,0,0|2,0,0]=4 11155 B17R1.30847 CCCC(C)NS(=O)(=O)C=Cc1ccccc1 40a_100000741246_100011098038 [0,2,0,0,0,0|2,0,0]=4 11156 B17R1.114992 CCCS(=O)(=O)NC(=O)C=Cc1ccccc1 2740a_100000171175_100000210462 [0,2,0,0,0,0|2,0,0]=4 11157 B17R1.114992 COCC(C)(C)NC(=O)C=Cc1ccccc1 11a_100000752728_100000210462 [0,2,0,0,0,0|2,0,0]=4 11158 B17R1.114992 COCC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100000752728_100000210462 [0,2,0,0,0,0|2,0,0]=4 11159 B17R1.114992 CSCC(C)(C)NC(=O)C=Cc1ccccc1 11a_100000759623_100000210462 [0,2,0,0,0,0|2,0,0]=4 11160 B17R1.114992 CSCC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100000759623_100000210462 [0,2,0,0,0,0|2,0,0]=4 11161 B17R1.1843 C#Cc1ccccc1NCC(=O)OCCCC 34a_100011470550_100000211628 [0,2,0,0,0,0|1,0,1]=4 11162 B17R1.1843 C#Cc1ccccc1OCC(=O)OCCCC 34a_200011470546_100000211628 [0,2,0,0,0,0|1,0,1]=4 11163 B17R1.1843 C#Cc1ccccc1OCC(=O)OCCCC 7a_200011470546_100000211628 [0,2,0,0,0,0|1,0,1]=4 11164 B17R1.1843 C=Cc1ccccc1NCC(=O)OCCCC 34a_100012022501_100000211628 [0,2,0,0,0,0|1,0,1]=4 11165 B17R1.1843 C=Cc1ccccc1SCC(=O)OCCCC 62a_100000211628_100011218376 [0,2,0,0,0,0|1,0,1]=4 11166 B17R1.1843 C=Cc1ccccc1SCC(=O)OCCCC 62a_100011218376_100000211628 [0,2,0,0,0,0|1,0,1]=4 11167 B17R1.1843 CCCCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210326 [0,2,0,0,0,0|1,0,0]=3 11168 B17R1.1843 CCCCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210326 [0,2,0,0,0,0|1,0,0]=3 11169 B17R1.1843 CCCCCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210326 [0,2,0,0,0,0|2,0,0]=4 11170 B17R1.1843 CCCCNC(=O)C=Cc1ccccc1C#N 11a_100000102301_100016294624 [0,2,0,0,0,0|1,0,0]=3 11171 B17R1.1843 CCCCNC(=O)C=Cc1ccccc1OC 11a_100000102301_100000182468 [0,2,0,0,0,0|1,0,0]=3 11172 B17R1.1843 CCCCNC(=O)C=Cc1ccccc1OC 1626a_100000102301_100000182468 [0,2,0,0,0,0|1,0,0]=3 11173 B17R1.1843 CCCCNC(=O)C=Cc1cccnc1OC 11a_100000102301_100102601226 [0,2,0,0,0,0|2,0,0]=4 11174 B17R1.1843 CCCCNC(=O)C=Cc1cccnc1OC 1626a_100000102301_100102601226 [0,2,0,0,0,0|2,0,0]=4 11175 B17R1.1843 CCCCOC(=O)CNc1ccccc1C#N 34a_100000211148_100000211628 [0,2,0,0,0,0|1,0,1]=4 11176 B17R1.1843 CCCCOC(=O)CNc1ccccc1CC 2230a_100000212081_100000211628 [0,2,0,0,0,0|1,0,1]=4 11177 B17R1.1843 CCCCOC(=O)CNc1ccccc1CC 34a_100000212081_100000211628 [0,2,0,0,0,0|1,0,1]=4 11178 B17R1.1843 CCCCOC(=O)CNc1ccccc1CC 7a_100000212081_100000211628 [0,2,0,0,0,0|1,0,1]=4 11179 B17R1.1843 CCCCOC(=O)CNc1ccccc1CO 34a_100000212039_100000211628 [0,2,0,0,0,0|1,0,1]=4 11180 B17R1.1843 CCCCOC(=O)CNc1ccccc1OC 34a_100000210025_100000211628 [0,2,0,0,0,0|1,0,1]=4 11181 B17R1.1843 CCCCOC(=O)CNc1ccccc1SC 34a_100000211160_100000211628 [0,2,0,0,0,0|1,0,1]=4 11182 B17R1.1843 CCCCOC(=O)COc1ccccc1C#N 34a_100000211048_100000211628 [0,2,0,0,0,0|1,0,1]=4 11183 B17R1.1843 CCCCOC(=O)COc1ccccc1C#N 7a_100000211048_100000211628 [0,2,0,0,0,0|1,0,1]=4 11184 B17R1.1843 CCCCOC(=O)COc1ccccc1CC 34a_100000210936_100000211628 [0,2,0,0,0,0|1,0,1]=4 11185 B17R1.1843 CCCCOC(=O)COc1ccccc1CC 7a_100000210936_100000211628 [0,2,0,0,0,0|1,0,1]=4 11186 B17R1.1843 CCCCOC(=O)COc1ccccc1CN 34a_100000185550_100000211628 [0,2,0,0,0,0|1,0,1]=4 11187 B17R1.1843 CCCCOC(=O)COc1ccccc1CO 34a_100011216872_100000211628 [0,2,0,0,0,0|1,0,1]=4 11188 B17R1.1843 CCCCOC(=O)COc1ccccc1NC 34a_100000033821_100000211628 [0,2,0,0,0,0|1,0,1]=4 11189 B17R1.1843 CCCCOC(=O)COc1ccccc1OC 34a_100000210385_100000211628 [0,2,0,0,0,0|1,0,1]=4 11190 B17R1.1843 CCCCOC(=O)COc1ccccc1SC 34a_100011216402_100000211628 [0,2,0,0,0,0|1,0,1]=4 11191 B17R1.1843 CCCCOC(=O)CSc1ccccc1C#N 62a_100000211628_100000188569 [0,2,0,0,0,0|1,0,1]=4 11192 B17R1.1843 CCCCOC(=O)CSc1ccccc1C=O 62a_100000210073_100000211628 [0,2,0,0,0,0|1,0,1]=4 11193 B17R1.1843 CCCCOC(=O)CSc1ccccc1C=O 62a_100000211628_100000210073 [0,2,0,0,0,0|1,0,1]=4 11194 B17R1.1843 CCCCOC(=O)CSc1ccccc1CC 62a_100000211628_100011215823 [0,2,0,0,0,0|1,0,1]=4 11195 B17R1.1843 CCCCOC(=O)CSc1ccccc1CC 62a_100011215823_100000211628 [0,2,0,0,0,0|1,0,1]=4 11196 B17R1.1843 CCCCOC(=O)CSc1ccccc1CN 62a_100000211628_100000689332 [0,2,0,0,0,0|1,0,1]=4 11197 B17R1.1843 CCCCOC(=O)CSc1ccccc1CN 62a_100000689332_100000211628 [0,2,0,0,0,0|1,0,1]=4 11198 B17R1.1843 CCCCOC(=O)CSc1ccccc1CO 62a_100000187465_100000211628 [0,2,0,0,0,0|1,0,1]=4 11199 B17R1.1843 CCCCOC(=O)CSc1ccccc1CO 62a_100000211628_100000187465 [0,2,0,0,0,0|1,0,1]=4 11200 B17R1.1843 CCCCOC(=O)CSc1ccccc1NC 62a_100000211628_100020606079 [0,2,0,0,0,0|1,0,1]=4 11201 B17R1.1843 CCCCOC(=O)CSc1ccccc1NC 62a_100020606079_100000211628 [0,2,0,0,0,0|1,0,1]=4 11202 B17R1.1843 CCCCOC(=O)CSc1ccccc1NN 62a_100000211628_100000241748 [0,2,0,0,0,0|1,0,1]=4 11203 B17R1.1843 CCCCOC(=O)CSc1ccccc1NN 62a_100000241748_100000211628 [0,2,0,0,0,0|1,0,1]=4 11204 B17R1.1843 CCCCOC(=O)CSc1ccccc1OC 62a_100000210334_100000211628 [0,2,0,0,0,0|1,0,1]=4 11205 B17R1.1843 CCCCOC(=O)CSc1ccccc1OC 62a_100000211628_100000210334 [0,2,0,0,0,0|1,0,1]=4 11206 B17R1.1843 CCCCOC(=O)CSc1ccccc1SC 62a_100000211628_100011217816 [0,2,0,0,0,0|1,0,1]=4 11207 B17R1.1843 CCCCOC(=O)CSc1ccccc1SC 62a_100011217816_100000211628 [0,2,0,0,0,0|1,0,1]=4 11208 B17R1.1843 CCCNNC(=O)C=Cc1ccccc1C#N 22a_100000740057_100016294624 [0,2,0,0,0,0|2,0,0]=4 11209 B17R1.1843 CCCNNC(=O)C=Cc1ccccc1OC 22a_100000740057_100000182468 [0,2,0,0,0,0|2,0,0]=4 11210 B17R1.1843 CCOCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100011215890 [0,2,0,0,0,0|2,0,0]=4 11211 B17R1.1843 CCOCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100011215890 [0,2,0,0,0,0|2,0,0]=4 11212 B17R1.1843 CCSCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000757381 [0,2,0,0,0,0|2,0,0]=4 11213 B17R1.1843 CCSCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000757381 [0,2,0,0,0,0|2,0,0]=4 11214 B17R1.1843 COCCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000740836 [0,2,0,0,0,0|2,0,0]=4 11215 B17R1.1843 COCCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000740836 [0,2,0,0,0,0|2,0,0]=4 11216 B17R1.1843 COCCNC(=O)C=Cc1ccccc1OC 1626a_100000209980_100000182468 [0,2,0,0,0,0|2,0,0]=4 11217 B17R1.1843 COc1ccccc1C=CC(=O)CCCCF 1458a_100000182468_100000729493 [0,2,0,0,0,0|2,0,0]=4 11218 B17R1.1843 COc1ccccc1C=CC(=O)CCCCO 1458a_100000182468_100000210776 [0,2,0,0,0,0|2,0,0]=4 11219 B17R1.1843 COc1ccccc1C=CC(=O)NCCCF 11a_100015189416_100000182468 [0,2,0,0,0,0|2,0,0]=4 11220 B17R1.1843 COc1ccccc1C=CC(=O)NCCCF 1626a_100015189416_100000182468 [0,2,0,0,0,0|2,0,0]=4 11221 B17R1.1843 COc1ccccc1C=CC(=O)NCCSC 11a_100020590264_100000182468 [0,2,0,0,0,0|2,0,0]=4 11222 B17R1.1843 COc1ccccc1C=CC(=O)NCCSC 1626a_100020590264_100000182468 [0,2,0,0,0,0|2,0,0]=4 11223 B17R1.1843 CSCCNC(=O)C=Cc1ccccc1C#N 11a_100020590264_100016294624 [0,2,0,0,0,0|2,0,0]=4 11224 B17R1.1843 N#Cc1ccccc1C=CC(=O)CCCCF 1458a_100016294624_100000729493 [0,2,0,0,0,0|2,0,0]=4 11225 B17R1.1843 N#Cc1ccccc1C=CC(=O)CCCCO 1458a_100016294624_100000210776 [0,2,0,0,0,0|2,0,0]=4 11226 B17R1.1843 N#Cc1ccccc1C=CC(=O)NCCCF 11a_100015189416_100016294624 [0,2,0,0,0,0|2,0,0]=4 11227 B17R1.184761 CCCCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000210326 [0,2,0,0,0,0|1,0,0]=3 11228 B17R1.184761 CCCCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000210326 [0,2,0,0,0,0|1,0,0]=3 11229 B17R1.184761 CCCCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000210326 [0,2,0,0,0,0|1,0,0]=3 11230 B17R1.184761 CCCCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100011215151 [0,2,0,0,0,0|1,0,0]=3 11231 B17R1.184761 CCCCCC(=O)C=Cc1c(cncc1Br)Cl 6a_100010064873_100011215151 [0,2,0,0,0,0|2,0,0]=4 11232 B17R1.184761 CCCCCC(=O)C=Cc1c(cncc1Br)F 6a_100010064882_100011215151 [0,2,0,0,0,0|2,0,0]=4 11233 B17R1.184761 CCCCCC(=O)C=Cc1c(cncc1Cl)Cl 6a_100000067493_100011215151 [0,2,0,0,0,0|2,0,0]=4 11234 B17R1.184761 CCCCCC(=O)C=Cc1c(cncc1F)F 6a_100000068831_100011215151 [0,2,0,0,0,0|2,0,0]=4 11235 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100000102301_100000185082 [0,2,0,0,0,0|1,0,0]=3 11236 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100000102301_100000185082 [0,2,0,0,0,0|1,0,0]=3 11237 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100000102301_100000185082 [0,2,0,0,0,0|1,0,0]=3 11238 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1Cl)F 11a_100000102301_100016278423 [0,2,0,0,0,0|1,0,0]=3 11239 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100000102301_100016278423 [0,2,0,0,0,0|1,0,0]=3 11240 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100000102301_100016278423 [0,2,0,0,0,0|1,0,0]=3 11241 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1F)F 11a_100000102301_100000738813 [0,2,0,0,0,0|1,0,0]=3 11242 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1F)F 1626a_100000102301_100000738813 [0,2,0,0,0,0|1,0,0]=3 11243 B17R1.184761 CCCCNC(=O)C=Cc1c(cccc1F)F 240690a_100000102301_100000738813 [0,2,0,0,0,0|1,0,0]=3 11244 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000211628 [0,2,0,0,0,0|1,0,1]=4 11245 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000211628 [0,2,0,0,0,0|1,0,1]=4 11246 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000211628 [0,2,0,0,0,0|1,0,1]=4 11247 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000211628 [0,2,0,0,0,0|1,0,1]=4 11248 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000211628 [0,2,0,0,0,0|1,0,1]=4 11249 B17R1.184761 CCCCOC(=O)CNc1c(cccc1C)C 34a_100000185769_100000211628 [0,2,0,0,0,0|1,0,1]=4 11250 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000211628 [0,2,0,0,0,0|1,0,1]=4 11251 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000211628 [0,2,0,0,0,0|1,0,1]=4 11252 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000211628 [0,2,0,0,0,0|1,0,1]=4 11253 B17R1.184761 CCCCOC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000211628 [0,2,0,0,0,0|1,0,1]=4 11254 B17R1.184761 CCCCOC(=O)CNc1c(cccc1F)C 34a_100000766463_100000211628 [0,2,0,0,0,0|1,0,1]=4 11255 B17R1.184761 CCCCOC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000211628 [0,2,0,0,0,0|1,0,1]=4 11256 B17R1.184761 CCCCOC(=O)CNc1c(cccc1F)F 34a_100000210704_100000211628 [0,2,0,0,0,0|1,0,1]=4 11257 B17R1.184761 CCCCOC(=O)CNc1c(cccc1F)O 34a_100020591140_100000211628 [0,2,0,0,0,0|1,0,1]=4 11258 B17R1.184761 CCCCOC(=O)CNc1c(cccc1I)F 34a_100000042321_100000211628 [0,2,0,0,0,0|1,0,1]=4 11259 B17R1.184761 CCCCOC(=O)CNc1c(cccc1O)C 34a_100000743429_100000211628 [0,2,0,0,0,0|1,0,1]=4 11260 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000211628 [0,2,0,0,0,0|1,0,1]=4 11261 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000211628 [0,2,0,0,0,0|1,0,1]=4 11262 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)C 34a_100009817157_100000211628 [0,2,0,0,0,0|1,0,1]=4 11263 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)C 7a_100009817157_100000211628 [0,2,0,0,0,0|1,0,1]=4 11264 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000211628 [0,2,0,0,0,0|1,0,1]=4 11265 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000211628 [0,2,0,0,0,0|1,0,1]=4 11266 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)F 34a_100009813666_100000211628 [0,2,0,0,0,0|1,0,1]=4 11267 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)F 7a_100009813666_100000211628 [0,2,0,0,0,0|1,0,1]=4 11268 B17R1.184761 CCCCOC(=O)COc1c(cccc1Br)N 34a_100011934915_100000211628 [0,2,0,0,0,0|1,0,1]=4 11269 B17R1.184761 CCCCOC(=O)COc1c(cccc1C)C 34a_100000210341_100000211628 [0,2,0,0,0,0|1,0,1]=4 11270 B17R1.184761 CCCCOC(=O)COc1c(cccc1C)C 7a_100000210341_100000211628 [0,2,0,0,0,0|1,0,1]=4 11271 B17R1.184761 CCCCOC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000211628 [0,2,0,0,0,0|1,0,1]=4 11272 B17R1.184761 CCCCOC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000211628 [0,2,0,0,0,0|1,0,1]=4 11273 B17R1.184761 CCCCOC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000211628 [0,2,0,0,0,0|1,0,1]=4 11274 B17R1.184761 CCCCOC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000211628 [0,2,0,0,0,0|1,0,1]=4 11275 B17R1.184761 CCCCOC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000211628 [0,2,0,0,0,0|1,0,1]=4 11276 B17R1.184761 CCCCOC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000211628 [0,2,0,0,0,0|1,0,1]=4 11277 B17R1.184761 CCCCOC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000211628 [0,2,0,0,0,0|1,0,1]=4 11278 B17R1.184761 CCCCOC(=O)COc1c(cccc1F)C 34a_100011659162_100000211628 [0,2,0,0,0,0|1,0,1]=4 11279 B17R1.184761 CCCCOC(=O)COc1c(cccc1F)C 7a_100011659162_100000211628 [0,2,0,0,0,0|1,0,1]=4 11280 B17R1.184761 CCCCOC(=O)COc1c(cccc1F)F 34a_100000230165_100000211628 [0,2,0,0,0,0|1,0,1]=4 11281 B17R1.184761 CCCCOC(=O)COc1c(cccc1F)F 7a_100000230165_100000211628 [0,2,0,0,0,0|1,0,1]=4 11282 B17R1.184761 CCCCOC(=O)COc1c(cccc1F)N 34a_100011934987_100000211628 [0,2,0,0,0,0|1,0,1]=4 11283 B17R1.184761 CCCCOC(=O)COc1c(cccc1I)Br 34a_100010084509_100000211628 [0,2,0,0,0,0|1,0,1]=4 11284 B17R1.184761 CCCCOC(=O)COc1c(cccc1I)Br 7a_100010084509_100000211628 [0,2,0,0,0,0|1,0,1]=4 11285 B17R1.184761 CCCCOC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000211628 [0,2,0,0,0,0|1,0,1]=4 11286 B17R1.184761 CCCCOC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000211628 [0,2,0,0,0,0|1,0,1]=4 11287 B17R1.184761 CCCCOC(=O)COc1c(cccc1I)F 34a_100010186298_100000211628 [0,2,0,0,0,0|1,0,1]=4 11288 B17R1.184761 CCCCOC(=O)COc1c(cccc1I)F 7a_100010186298_100000211628 [0,2,0,0,0,0|1,0,1]=4 11289 B17R1.184761 CCCCOC(=O)COc1c(cccc1I)N 34a_100010084371_100000211628 [0,2,0,0,0,0|1,0,1]=4 11290 B17R1.184761 CCCCOC(=O)COc1c(cccc1N)C 34a_100000756359_100000211628 [0,2,0,0,0,0|1,0,1]=4 11291 B17R1.184761 CCCCOC(=O)COc1c(cccc1N)C 7a_100000756359_100000211628 [0,2,0,0,0,0|1,0,1]=4 11292 B17R1.184761 CCCCOC(=O)COc1c(cccc1N)N 34a_200016994477_100000211628 [0,2,0,0,0,0|1,0,1]=4 11293 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)Br 62a_100000211628_100009994525 [0,2,0,0,0,0|1,0,1]=4 11294 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)Br 62a_100009994525_100000211628 [0,2,0,0,0,0|1,0,1]=4 11295 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)C 62a_100000211628_100010141302 [0,2,0,0,0,0|1,0,1]=4 11296 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000211628 [0,2,0,0,0,0|1,0,1]=4 11297 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)Cl 62a_100000211628_100010214488 [0,2,0,0,0,0|1,0,1]=4 11298 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)Cl 62a_100010214488_100000211628 [0,2,0,0,0,0|1,0,1]=4 11299 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)F 62a_100000211628_100011219512 [0,2,0,0,0,0|1,0,1]=4 11300 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)F 62a_100011219512_100000211628 [0,2,0,0,0,0|1,0,1]=4 11301 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)N 62a_100000211628_100020590159 [0,2,0,0,0,0|1,0,1]=4 11302 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)N 62a_100020590159_100000211628 [0,2,0,0,0,0|1,0,1]=4 11303 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)O 62a_100000211628_100010187912 [0,2,0,0,0,0|1,0,1]=4 11304 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000211628 [0,2,0,0,0,0|1,0,1]=4 11305 B17R1.184761 CCCCOC(=O)CSc1c(cccc1C)C 62a_100000033847_100000211628 [0,2,0,0,0,0|1,0,1]=4 11306 B17R1.184761 CCCCOC(=O)CSc1c(cccc1C)C 62a_100000211628_100000033847 [0,2,0,0,0,0|1,0,1]=4 11307 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000211628 [0,2,0,0,0,0|1,0,1]=4 11308 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)C 62a_100000211628_100000043165 [0,2,0,0,0,0|1,0,1]=4 11309 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000211628 [0,2,0,0,0,0|1,0,1]=4 11310 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)Cl 62a_100000211628_100000034237 [0,2,0,0,0,0|1,0,1]=4 11311 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)F 62a_100000050007_100000211628 [0,2,0,0,0,0|1,0,1]=4 11312 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)F 62a_100000211628_100000050007 [0,2,0,0,0,0|1,0,1]=4 11313 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)N 62a_100000049713_100000211628 [0,2,0,0,0,0|1,0,1]=4 11314 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)N 62a_100000211628_100000049713 [0,2,0,0,0,0|1,0,1]=4 11315 B17R1.184761 CCCCOC(=O)CSc1c(cccc1Cl)O 62a_100000211628_100000050174 [0,2,0,0,0,0|1,0,1]=4 11316 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)C 62a_100000211628_100011218421 [0,2,0,0,0,0|1,0,1]=4 11317 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)C 62a_100011218421_100000211628 [0,2,0,0,0,0|1,0,1]=4 11318 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)F 62a_100000211628_100000693133 [0,2,0,0,0,0|1,0,1]=4 11319 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)F 62a_100000693133_100000211628 [0,2,0,0,0,0|1,0,1]=4 11320 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)N 62a_100000211628_100000690935 [0,2,0,0,0,0|1,0,1]=4 11321 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)N 62a_100000690935_100000211628 [0,2,0,0,0,0|1,0,1]=4 11322 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)O 62a_100000211628_100009820682 [0,2,0,0,0,0|1,0,1]=4 11323 B17R1.184761 CCCCOC(=O)CSc1c(cccc1F)O 62a_100009820682_100000211628 [0,2,0,0,0,0|1,0,1]=4 11324 B17R1.184761 CCCCOC(=O)CSc1c(cccc1N)C 62a_100000211628_100000684715 [0,2,0,0,0,0|1,0,1]=4 11325 B17R1.184761 CCCCOC(=O)CSc1c(cccc1N)C 62a_100000684715_100000211628 [0,2,0,0,0,0|1,0,1]=4 11326 B17R1.184761 CCCCOC(=O)CSc1c(cccc1O)C 62a_100000211628_100000686692 [0,2,0,0,0,0|1,0,1]=4 11327 B17R1.184761 CCCCOC(=O)CSc1c(cccc1O)C 62a_100000686692_100000211628 [0,2,0,0,0,0|1,0,1]=4 11328 B17R1.184761 CCCCOC(=O)CSc1c(cccc1O)N 62a_100000211628_100012183704 [0,2,0,0,0,0|1,0,1]=4 11329 B17R1.184761 CCCCOC(=O)CSc1c(cccc1O)N 62a_100012183704_100000211628 [0,2,0,0,0,0|1,0,1]=4 11330 B17R1.184761 CCCCOC(=O)CSc1c(cccc1O)O 62a_100000211628_100010205330 [0,2,0,0,0,0|1,0,1]=4 11331 B17R1.184761 CCCNNC(=O)C=Cc1c(cccc1Cl)Cl 22a_100000740057_100000185082 [0,2,0,0,0,0|2,0,0]=4 11332 B17R1.184761 CCCNNC(=O)C=Cc1c(cccc1Cl)F 22a_100000740057_100016278423 [0,2,0,0,0,0|2,0,0]=4 11333 B17R1.184761 CCCNNC(=O)C=Cc1c(cccc1F)F 22a_100000740057_100000738813 [0,2,0,0,0,0|2,0,0]=4 11334 B17R1.184761 CCCOCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100010632825 [0,2,0,0,0,0|2,0,0]=4 11335 B17R1.184761 CCCSCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100011343953 [0,2,0,0,0,0|2,0,0]=4 11336 B17R1.184761 CCOCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100011215890 [0,2,0,0,0,0|2,0,0]=4 11337 B17R1.184761 CCOCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100011215890 [0,2,0,0,0,0|2,0,0]=4 11338 B17R1.184761 CCOCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100011215890 [0,2,0,0,0,0|2,0,0]=4 11339 B17R1.184761 CCOCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_200011216536 [0,2,0,0,0,0|2,0,0]=4 11340 B17R1.184761 CCSCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000757381 [0,2,0,0,0,0|2,0,0]=4 11341 B17R1.184761 CCSCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000757381 [0,2,0,0,0,0|2,0,0]=4 11342 B17R1.184761 CCSCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000757381 [0,2,0,0,0,0|2,0,0]=4 11343 B17R1.184761 COCCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000740836 [0,2,0,0,0,0|2,0,0]=4 11344 B17R1.184761 COCCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000740836 [0,2,0,0,0,0|2,0,0]=4 11345 B17R1.184761 COCCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000740836 [0,2,0,0,0,0|2,0,0]=4 11346 B17R1.184761 COCCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100000209980_100000185082 [0,2,0,0,0,0|2,0,0]=4 11347 B17R1.184761 COCCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100000209980_100000185082 [0,2,0,0,0,0|2,0,0]=4 11348 B17R1.184761 COCCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100000209980_100016278423 [0,2,0,0,0,0|2,0,0]=4 11349 B17R1.184761 COCCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100000209980_100016278423 [0,2,0,0,0,0|2,0,0]=4 11350 B17R1.184761 COCCNC(=O)C=Cc1c(cccc1F)F 1626a_100000209980_100000738813 [0,2,0,0,0,0|2,0,0]=4 11351 B17R1.184761 COCCNC(=O)C=Cc1c(cccc1F)F 240690a_100000209980_100000738813 [0,2,0,0,0,0|2,0,0]=4 11352 B17R1.184761 CSCCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100011399439 [0,2,0,0,0,0|2,0,0]=4 11353 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100020590264_100000185082 [0,2,0,0,0,0|2,0,0]=4 11354 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100020590264_100000185082 [0,2,0,0,0,0|2,0,0]=4 11355 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100020590264_100000185082 [0,2,0,0,0,0|2,0,0]=4 11356 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1Cl)F 11a_100020590264_100016278423 [0,2,0,0,0,0|2,0,0]=4 11357 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100020590264_100016278423 [0,2,0,0,0,0|2,0,0]=4 11358 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100020590264_100016278423 [0,2,0,0,0,0|2,0,0]=4 11359 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1F)F 11a_100020590264_100000738813 [0,2,0,0,0,0|2,0,0]=4 11360 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1F)F 1626a_100020590264_100000738813 [0,2,0,0,0,0|2,0,0]=4 11361 B17R1.184761 CSCCNC(=O)C=Cc1c(cccc1F)F 240690a_100020590264_100000738813 [0,2,0,0,0,0|2,0,0]=4 11362 B17R1.184761 O=C(C=Cc1c(cccc1Cl)Cl)CCCCF 1458a_100000185082_100000729493 [0,2,0,0,0,0|2,0,0]=4 11363 B17R1.184761 O=C(C=Cc1c(cccc1Cl)Cl)CCCCO 1458a_100000185082_100000210776 [0,2,0,0,0,0|2,0,0]=4 11364 B17R1.184761 O=C(C=Cc1c(cccc1Cl)Cl)NCCCF 11a_100015189416_100000185082 [0,2,0,0,0,0|2,0,0]=4 11365 B17R1.184761 O=C(C=Cc1c(cccc1Cl)Cl)NCCCF 1626a_100015189416_100000185082 [0,2,0,0,0,0|2,0,0]=4 11366 B17R1.184761 O=C(C=Cc1c(cccc1Cl)Cl)NCCCF 240690a_100015189416_100000185082 [0,2,0,0,0,0|2,0,0]=4 11367 B17R1.184761 O=C(C=Cc1c(cccc1Cl)Cl)NCCCO 240690a_100000182051_100000185082 [0,2,0,0,0,0|2,0,0]=4 11368 B17R1.184761 O=C(C=Cc1c(cccc1Cl)F)CCCCF 1458a_100016278423_100000729493 [0,2,0,0,0,0|2,0,0]=4 11369 B17R1.184761 O=C(C=Cc1c(cccc1Cl)F)CCCCO 1458a_100016278423_100000210776 [0,2,0,0,0,0|2,0,0]=4 11370 B17R1.184761 O=C(C=Cc1c(cccc1Cl)F)NCCCF 11a_100015189416_100016278423 [0,2,0,0,0,0|2,0,0]=4 11371 B17R1.184761 O=C(C=Cc1c(cccc1Cl)F)NCCCF 1626a_100015189416_100016278423 [0,2,0,0,0,0|2,0,0]=4 11372 B17R1.184761 O=C(C=Cc1c(cccc1Cl)F)NCCCF 240690a_100015189416_100016278423 [0,2,0,0,0,0|2,0,0]=4 11373 B17R1.184761 O=C(C=Cc1c(cccc1Cl)F)NCCCO 240690a_100000182051_100016278423 [0,2,0,0,0,0|2,0,0]=4 11374 B17R1.184761 O=C(C=Cc1c(cccc1F)F)CCCCF 1458a_100000738813_100000729493 [0,2,0,0,0,0|2,0,0]=4 11375 B17R1.184761 O=C(C=Cc1c(cccc1F)F)CCCCO 1458a_100000738813_100000210776 [0,2,0,0,0,0|2,0,0]=4 11376 B17R1.184761 O=C(C=Cc1c(cccc1F)F)NCCCF 11a_100015189416_100000738813 [0,2,0,0,0,0|2,0,0]=4 11377 B17R1.184761 O=C(C=Cc1c(cccc1F)F)NCCCF 1626a_100015189416_100000738813 [0,2,0,0,0,0|2,0,0]=4 11378 B17R1.184761 O=C(C=Cc1c(cccc1F)F)NCCCF 240690a_100015189416_100000738813 [0,2,0,0,0,0|2,0,0]=4 11379 B17R1.184761 O=C(C=Cc1c(cccc1F)F)NCCCO 240690a_100000182051_100000738813 [0,2,0,0,0,0|2,0,0]=4 11380 B17R1.184761 O=C(C=Cc1c(cccc1I)F)CCCCBr 6a_100010178011_100009817362 [0,2,0,0,0,0|2,0,0]=4 11381 B17R1.184761 O=C(C=Cc1c(cccc1I)F)CCCCCl 6a_100010178011_100000735457 [0,2,0,0,0,0|2,0,0]=4 11382 B15R1.1402 C=Cc1ccccc1C(=O)CCCCC 1458a_100011830265_100000210326 [0,0,1,1,0,0|1,0,0]=3 11383 B15R1.1402 C=Cc1ccccc1C(=O)CCCCF 1458a_100011830265_100000729493 [0,0,1,1,0,0|2,0,0]=4 11384 B15R1.1402 C=Cc1ccccc1C(=O)CCCCO 1458a_100011830265_100000210776 [0,0,1,1,0,0|2,0,0]=4 11385 B15R1.1402 C=Cc1ccccc1C(=O)CCCOC 1458a_100011830265_100000740836 [0,0,1,1,0,0|2,0,0]=4 11386 B15R1.1402 C=Cc1ccccc1C(=O)CCOCC 1458a_100011830265_100011215890 [0,0,1,1,0,0|2,0,0]=4 11387 B15R1.1402 C=Cc1ccccc1C(=O)CCSCC 1458a_100011830265_100000757381 [0,0,1,1,0,0|2,0,0]=4 11388 B15R1.1402 C=Cc1ccccc1C(=O)NCCCC 1626a_100000102301_100011830265 [0,0,1,1,0,0|1,0,0]=3 11389 B15R1.1402 C=Cc1ccccc1C(=O)NCCCC 271570a_100011290941_200000154865 [0,0,1,1,0,0|1,0,0]=3 11390 B15R1.1402 C=Cc1ccccc1C(=O)NCCCF 1626a_100015189416_100011830265 [0,0,1,1,0,0|2,0,0]=4 11391 B15R1.1402 C=Cc1ccccc1C(=O)NCCOC 1626a_100000209980_100011830265 [0,0,1,1,0,0|2,0,0]=4 11392 B15R1.1402 C=Cc1ccccc1C(=O)NCCSC 1626a_100020590264_100011830265 [0,0,1,1,0,0|2,0,0]=4 11393 B15R1.1402 C=Cc1ccccc1C(=O)NNCCC 22a_100000740057_100011830265 [0,0,1,1,0,0|2,0,0]=4 11394 B15R1.1402 CCCCOC(=O)c1ccccc1OC 7a_100011204317_200000210301 [0,0,1,1,0,0|1,0,1]=4 11395 B15R1.1402 CCCCOC(=O)c1ccccc1O[13CH3] 7a_100011204317_200025704644 [0,0,1,1,0,0|1,0,1]=4 11396 B15R1.1397 C=Cc1cccc(c1)C(=O)CCCCC 1458a_100011215009_100000210326 [0,0,1,1,0,0|1,0,0]=3 11397 B15R1.1397 C=Cc1cccc(c1)C(=O)CCCCF 1458a_100011215009_100000729493 [0,0,1,1,0,0|2,0,0]=4 11398 B15R1.1397 C=Cc1cccc(c1)C(=O)CCCCO 1458a_100011215009_100000210776 [0,0,1,1,0,0|2,0,0]=4 11399 B15R1.1397 C=Cc1cccc(c1)C(=O)CCCOC 1458a_100011215009_100000740836 [0,0,1,1,0,0|2,0,0]=4 11400 B15R1.1397 C=Cc1cccc(c1)C(=O)CCOCC 1458a_100011215009_100011215890 [0,0,1,1,0,0|2,0,0]=4 11401 B15R1.1397 C=Cc1cccc(c1)C(=O)CCSCC 1458a_100011215009_100000757381 [0,0,1,1,0,0|2,0,0]=4 11402 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCC 11a_100000102301_100011215009 [0,0,1,1,0,0|1,0,0]=3 11403 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCC 1626a_100000102301_100011215009 [0,0,1,1,0,0|1,0,0]=3 11404 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCC 240690a_100000102301_100011215009 [0,0,1,1,0,0|1,0,0]=3 11405 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCC 271570a_100011290941_200000154868 [0,0,1,1,0,0|1,0,0]=3 11406 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCC 527a_100000102301_100011215009 [0,0,1,1,0,0|1,0,0]=3 11407 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCF 11a_100015189416_100011215009 [0,0,1,1,0,0|2,0,0]=4 11408 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCF 1626a_100015189416_100011215009 [0,0,1,1,0,0|2,0,0]=4 11409 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCF 240690a_100015189416_100011215009 [0,0,1,1,0,0|2,0,0]=4 11410 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCF 527a_100015189416_100011215009 [0,0,1,1,0,0|2,0,0]=4 11411 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCN 271570a_100011290941_100000748816 [0,0,1,1,0,0|2,0,0]=4 11412 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCO 240690a_100000182051_100011215009 [0,0,1,1,0,0|2,0,0]=4 11413 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCCO 527a_100000182051_100011215009 [0,0,1,1,0,0|2,0,0]=4 11414 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCOC 1626a_100000209980_100011215009 [0,0,1,1,0,0|2,0,0]=4 11415 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCOC 240690a_100000209980_100011215009 [0,0,1,1,0,0|2,0,0]=4 11416 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCOC 527a_100000209980_100011215009 [0,0,1,1,0,0|2,0,0]=4 11417 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCSC 11a_100020590264_100011215009 [0,0,1,1,0,0|2,0,0]=4 11418 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCSC 1626a_100020590264_100011215009 [0,0,1,1,0,0|2,0,0]=4 11419 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCSC 240690a_100020590264_100011215009 [0,0,1,1,0,0|2,0,0]=4 11420 B15R1.1397 C=Cc1cccc(c1)C(=O)NCCSC 527a_100020590264_100011215009 [0,0,1,1,0,0|2,0,0]=4 11421 B15R1.1397 C=Cc1cccc(c1)C(=O)NNCCC 22a_100000740057_100011215009 [0,0,1,1,0,0|2,0,0]=4 11422 B15R1.1397 C=Cc1cncc(c1)C(=O)NCCCC 271570a_100011290941_200000154871 [0,0,1,1,0,0|2,0,0]=4 11423 B15R2.5 CCCCOc1csc2c1cccc2 34a_100000077758_100000210210 [1,0,0,1,0,0|1,0,0]=3 11424 B15R2.5 CCCCOc1csc2c1cccc2 7a_100000077758_100000210211 [1,0,0,1,0,0|1,0,0]=3 11425 B15R2.5 CCCCSc1coc2c1cccc2 62a_100000210211_100009812202 [1,0,0,1,0,0|1,1,0]=4 11426 B15R2.5 CCCCSc1csc2c1cccc2 62a_100000210211_100009813928 [1,0,0,1,0,0|1,1,0]=4 11427 B15R2.5 COCCOc1csc2c1cccc2 34a_100000077758_100011201679 [1,0,0,1,0,0|2,0,0]=4 11428 B15R2.5 COCCOc1csc2c1cccc2 7a_100000077758_100000233755 [1,0,0,1,0,0|2,0,0]=4 11429 B15R2.5 CSCCOc1csc2c1cccc2 34a_100000077758_100000212216 [1,0,0,1,0,0|2,0,0]=4 11430 B15R2.5 CSCCOc1csc2c1cccc2 7a_100000077758_100000212216 [1,0,0,1,0,0|2,0,0]=4 11431 B15R2.5 FCCCOc1csc2c1cccc2 34a_100000077758_100011934791 [1,0,0,1,0,0|2,0,0]=4 11432 B15R2.5 FCCCOc1csc2c1cccc2 7a_100000077758_100011934791 [1,0,0,1,0,0|2,0,0]=4 11433 B15R2.5 OCCCOc1csc2c1cccc2 34a_100000077758_100000230001 [1,0,0,1,0,0|2,0,0]=4 11434 B15R2.5 OCCCOc1csc2c1cccc2 7a_100000077758_100011215043 [1,0,0,1,0,0|2,0,0]=4 11435 B15R2.72 CCCn1nccc1c2ccccc2 271570a_100012343769_100000210277 [1,0,0,1,0,0|2,0,0]=4 11436 B15R2.342 CC1CCN1C/C=C/c2ccccc2 269982a_100000755817_100016265936 [1,0,0,1,0,0|1,0,1]=4 11437 B15R2.342 CC1CCN1C/C=C/c2ccccc2 34a_100000755817_100016265936 [1,0,0,1,0,0|1,0,1]=4 11438 B15R2.2195 C(=CC1CCCCC1)c2ccccc2 271570a_100016283615_100000210277 [1,0,0,1,0,0|1,0,1]=4 11439 B15R2.2195 C(=Cc1ccccc1)C2=CCCCC2 271570a_100000069214_100000210277 [1,0,0,1,0,0|1,0,0]=3 11440 B15R2.2195 C(=Cc1ccccn1)C2=CCCCC2 271570a_100000069214_100011216584 [1,0,0,1,0,0|2,0,0]=4 11441 B15R2.2195 C(=Cc1cccnc1)C2=CCCCC2 271570a_100000069214_100000752921 [1,0,0,1,0,0|2,0,0]=4 11442 B15R2.2195 C(=Cc1ccncc1)C2=CCCCC2 271570a_100000069214_100000035832 [1,0,0,1,0,0|2,0,0]=4 11443 B15R2.2196 C(=C/c1ccccc1)\CN2CCCC2 2230a_100000188435_100016265936 [1,0,0,1,0,0|1,0,1]=4 11444 B15R2.2196 C(=C/c1ccccc1)\CN2CCCC2 269982a_100000188435_100016265936 [1,0,0,1,0,0|1,0,1]=4 11445 B15R2.2196 C(=Cc1ccccc1)CC2CCCC2 271570a_200000069456_100000210277 [1,0,0,1,0,0|1,0,1]=4 11446 B15R2.2196 C(=Cc1ccccc1)CN2CCCC2 270004a_100000188435_100000210105 [1,0,0,1,0,0|1,0,1]=4 11447 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 2230a_100000735609_100016265936 [1,0,0,1,0,0|1,0,1]=4 11448 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 2230a_100020603302_100000742324 [1,0,0,1,0,0|1,0,1]=4 11449 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 34a_100000735609_100016265936 [1,0,0,1,0,0|1,0,1]=4 11450 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 34a_100020603302_100000742324 [1,0,0,1,0,0|1,0,1]=4 11451 B15R2.4226 C(=C/c1ccccc1)\COCC2CC2 34a_100000210256_100000742324 [1,0,0,1,0,0|0,0,1]=3 11452 B15R2.4226 C(=C/c1ccccc1)\COCC2CC2 34a_100000211283_100016265936 [1,0,0,1,0,0|0,0,1]=3 11453 B15R2.4226 C(=C/c1ccccc1)\COCC2CO2 34a_100000210256_102125554688 [1,0,0,1,0,0|1,0,1]=4 11454 B15R2.4226 C(=C/c1ccccc1)\COC[C@@H]2CO2 34a_100000757423_100016265936 [1,0,0,1,0,0|1,0,1]=4 11455 B15R2.4226 C(=C/c1ccccc1)\CSCC2CC2 62a_100000756562_100016265936 [1,0,0,1,0,0|0,1,1]=4 11456 B15R2.4226 C(=C/c1ccccc1)\CSCC2CC2 62a_100016265936_100000742324 [1,0,0,1,0,0|0,1,1]=4 11457 B15R2.4226 C(=C/c1cccnc1)\COCC2CC2 34a_200102594124_100000742324 [1,0,0,1,0,0|1,0,1]=4 11458 B15R2.4226 C(=Cc1ccccc1)C=NNC2CC2 4a_100000701032_100000210105 [1,0,0,1,0,0|2,0,0]=4 11459 B15R2.4226 C(=Cc1ccccc1)CNCC2CC2 270004a_100000735609_100000210105 [1,0,0,1,0,0|1,0,1]=4 11460 B15R2.18471 CCCCc1cccc2c1cccc2 271570a_100020621405_100000210605 [1,0,0,1,0,0|1,0,0]=3 11461 B15R2.18471 CCCCc1cccc2c1cccn2 271570a_100020621405_100011290932 [1,0,0,1,0,0|2,0,0]=4 11462 B15R2.18471 CCCCc1cccc2c1ccnc2 271570a_100020621405_100000186358 [1,0,0,1,0,0|2,0,0]=4 11463 B15R2.18471 CCCCc1cccc2c1cncc2 271570a_100020621405_100000685578 [1,0,0,1,0,0|2,0,0]=4 11464 B15R2.18471 CCCCc1cccc2c1nccc2 271570a_100020621405_100011215545 [1,0,0,1,0,0|2,0,0]=4 11465 B15R2.18471 CCCCc1ccnc2c1cccc2 271570a_100020621405_100011215880 [1,0,0,1,0,0|2,0,0]=4 11466 B15R2.18471 CCCCc1cncc2c1cccc2 271570a_100020621405_100000187577 [1,0,0,1,0,0|2,0,0]=4 11467 B15R2.18471 CCCCc1nccc2c1cccc2 271570a_100020621405_100011934041 [1,0,0,1,0,0|2,0,0]=4 11468 B15R2.18471 CCCNc1cccc2c1cccc2 34a_100000185869_100000210303 [1,0,0,1,0,0|2,0,0]=4 11469 B15R2.18471 CCCOc1cccc2c1cccc2 34a_100000210388_100000210303 [1,0,0,1,0,0|2,0,0]=4 11470 B15R2.18471 CCCOc1cccc2c1cccc2 7a_100000210388_100000210303 [1,0,0,1,0,0|2,0,0]=4 11471 B15R2.18471 CCCSc1cccc2c1cccc2 62a_100000210303_100000210605 [1,0,0,1,0,0|2,0,0]=4 11472 B15R2.18471 CCNCc1cccc2c1cccc2 207a_100015525214_100000210074 [1,0,0,1,0,0|2,0,0]=4 11473 B15R2.18471 CCNCc1cccc2c1cccc2 2230a_100015525214_100011261445 [1,0,0,1,0,0|2,0,0]=4 11474 B15R2.18471 CCNCc1cccc2c1cccc2 270004a_100015525214_100000210074 [1,0,0,1,0,0|2,0,0]=4 11475 B15R2.18471 CCNCc1cccc2c1cccc2 34a_100000753325_100000210202 [1,0,0,1,0,0|2,0,0]=4 11476 B15R2.18471 CCOCc1cccc2c1cccc2 34a_100011216843_100000210202 [1,0,0,1,0,0|2,0,0]=4 11477 B15R2.18471 CCOCc1cccc2c1cccc2 34a_100121572206_100011261445 [1,0,0,1,0,0|2,0,0]=4 11478 B15R2.18471 CCOCc1cccc2c1cccc2 7a_100011216843_100000210202 [1,0,0,1,0,0|2,0,0]=4 11479 B15R2.18471 CCSCc1cccc2c1cccc2 62a_100000210202_100000188474 [1,0,0,1,0,0|2,0,0]=4 11480 B15R2.18471 CCSCc1cccc2c1cccc2 62a_100011261445_100000210202 [1,0,0,1,0,0|2,0,0]=4 11481 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_100000751862_200000210301 [1,0,0,1,0,0|2,0,0]=4 11482 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_106832991635_100011290781 [1,0,0,1,0,0|2,0,0]=4 11483 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100000751862_200000210301 [1,0,0,1,0,0|2,0,0]=4 11484 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100102657272_100011290781 [1,0,0,1,0,0|2,0,0]=4 11485 B15R2.18471 CNCCc1cccc2c1cccc2 7a_106832991635_100011290781 [1,0,0,1,0,0|2,0,0]=4 11486 B15R2.18471 COCCc1cccc2c1cccc2 34a_100011219628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11487 B15R2.18471 COCCc1cccc2c1cccc2 34a_100138415774_100011290781 [1,0,0,1,0,0|2,0,0]=4 11488 B15R2.18471 COCCc1cccc2c1cccc2 7a_100011219628_200000210301 [1,0,0,1,0,0|2,0,0]=4 11489 B15R2.18471 CSCCc1cccc2c1cccc2 62a_100011290781_200000210301 [1,0,0,1,0,0|2,0,0]=4 11490 B15R2.18471 CSCCc1cccc2c1cccc2 62a_200000210301_100011290781 [1,0,0,1,0,0|2,0,0]=4 11491 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 2230a_100000751862_200025704644 [1,0,0,1,0,0|2,0,0]=4 11492 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 34a_100000751862_200025704644 [1,0,0,1,0,0|2,0,0]=4 11493 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 34a_100011219628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11494 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 7a_100011219628_200025704644 [1,0,0,1,0,0|2,0,0]=4 11495 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_100011290781_200025704644 [1,0,0,1,0,0|2,0,0]=4 11496 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_200025704644_100011290781 [1,0,0,1,0,0|2,0,0]=4 11497 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 2230a_100000749019_100016265936 [1,0,0,1,0,0|1,0,1]=4 11498 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 270004a_100020603302_100000241760 [1,0,0,1,0,0|1,0,1]=4 11499 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100000749019_100016265936 [1,0,0,1,0,0|1,0,1]=4 11500 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100020603302_100000749161 [1,0,0,1,0,0|1,0,1]=4 11501 B15R2.27836 C(=C/c1ccccc1)\COC2CCC2 34a_100000210256_100000749161 [1,0,0,1,0,0|0,0,1]=3 11502 B15R2.27836 C(=C/c1ccccc1)\COC2CCC2 34a_100000748187_100016265936 [1,0,0,1,0,0|0,0,1]=3 11503 B15R2.27836 C(=C/c1ccccc1)\COC2COC2 34a_100000210256_100009818527 [1,0,0,1,0,0|1,0,1]=4 11504 B15R2.27836 C(=C/c1ccccc1)\COC2CSC2 7a_100000072292_100016265936 [1,0,0,1,0,0|1,0,1]=4 11505 B15R2.27836 C(=C/c1ccccc1)\CSC2CCC2 62a_100016265936_100000749161 [1,0,0,1,0,0|0,1,1]=4 11506 B15R2.27836 C(=C/c1cccnc1)\COC2CCC2 34a_200102594124_100000749161 [1,0,0,1,0,0|1,0,1]=4 11507 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,0,1,0,0|2,0,0]=4 11508 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,1,0,0|1,0,0]=3 11509 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,0,1,0,0|1,0,0]=3 11510 B15R2.352 CCCCc1ccc2cccnc2c1 271570a_100020621405_100009816655 [1,0,0,1,0,0|2,0,0]=4 11511 B15R2.352 CCCCc1ccc2cccnc2n1 271570a_100020621405_100009888989 [1,0,0,1,0,0|2,0,0]=4 11512 B15R2.352 CCCCc1ccc2ccncc2c1 271570a_100020621405_100000686496 [1,0,0,1,0,0|2,0,0]=4 11513 B15R2.352 CCCCc1ccc2ccncc2n1 271570a_100020621405_100000020162 [1,0,0,1,0,0|2,0,0]=4 11514 B15R2.352 CCCCc1ccc2cnccc2c1 271570a_100020621405_100009816743 [1,0,0,1,0,0|2,0,0]=4 11515 B15R2.352 CCCCc1ccc2ncccc2c1 271570a_100020621405_100000754243 [1,0,0,1,0,0|2,0,0]=4 11516 B15R2.352 CCCCc1ccc2ncccc2n1 271570a_100020621405_100000073381 [1,0,0,1,0,0|2,0,0]=4 11517 B15R2.352 CCCCc1cnc2ccccc2c1 271570a_100020621405_100000737414 [1,0,0,1,0,0|2,0,0]=4 11518 B15R2.352 CCCCc1cnc2ccccc2n1 271570a_100020621405_100000756483 [1,0,0,1,0,0|2,0,0]=4 11519 B15R2.352 CCCCc1ncc2ccccc2n1 271570a_100020621405_100000097389 [1,0,0,1,0,0|2,0,0]=4 11520 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [1,0,0,1,0,0|2,0,0]=4 11521 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [1,0,0,1,0,0|2,0,0]=4 11522 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [1,0,0,1,0,0|1,0,0]=3 11523 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [1,0,0,1,0,0|1,0,0]=3 11524 B15R2.352 CCCOc1ccc2cccnc2c1 34a_100011216045_100000210303 [1,0,0,1,0,0|2,0,0]=4 11525 B15R2.352 CCCOc1ccc2ccncc2c1 7a_100000752006_100000210303 [1,0,0,1,0,0|2,0,0]=4 11526 B15R2.352 CCCOc1ccc2cnccc2c1 34a_100000046372_100000210303 [1,0,0,1,0,0|2,0,0]=4 11527 B15R2.352 CCCOc1ccc2cnccc2c1 7a_100000046372_100000210303 [1,0,0,1,0,0|2,0,0]=4 11528 B15R2.352 CCCOc1ccc2ncccc2c1 34a_100011215586_100000210303 [1,0,0,1,0,0|2,0,0]=4 11529 B15R2.352 CCCOc1ccc2ncccc2c1 7a_100011215586_100000210303 [1,0,0,1,0,0|2,0,0]=4 11530 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [1,0,0,1,0,0|2,0,0]=4 11531 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [1,0,0,1,0,0|2,0,0]=4 11532 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [1,0,0,1,0,0|1,1,0]=4 11533 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [1,0,0,1,0,0|1,1,0]=4 11534 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [1,0,0,1,0,0|1,1,0]=4 11535 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [1,0,0,1,0,0|2,0,0]=4 11536 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [1,0,0,1,0,0|2,0,0]=4 11537 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [1,0,0,1,0,0|2,0,0]=4 11538 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [1,0,0,1,0,0|2,0,0]=4 11539 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [1,0,0,1,0,0|2,0,0]=4 11540 B15R2.352 CCNCc1ccc2ccccc2n1 207a_100015525214_100000759686 [1,0,0,1,0,0|2,0,0]=4 11541 B15R2.352 CCNCc1ccc2ccccc2n1 2230a_100015525214_100000737579 [1,0,0,1,0,0|2,0,0]=4 11542 B15R2.352 CCNCc1ccc2ccccc2n1 270004a_100015525214_100000759686 [1,0,0,1,0,0|2,0,0]=4 11543 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [1,0,0,1,0,0|2,0,0]=4 11544 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [1,0,0,1,0,0|2,0,0]=4 11545 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [1,0,0,1,0,0|2,0,0]=4 11546 B15R2.352 CCOCc1ccc2ccccc2n1 34a_100121572206_100000737579 [1,0,0,1,0,0|2,0,0]=4 11547 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [1,0,0,1,0,0|2,0,0]=4 11548 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [1,0,0,1,0,0|2,0,0]=4 11549 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000210202_100000737579 [1,0,0,1,0,0|2,0,0]=4 11550 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000737579_100000210202 [1,0,0,1,0,0|2,0,0]=4 11551 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [1,0,0,1,0,0|2,0,0]=4 11552 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [1,0,0,1,0,0|2,0,0]=4 11553 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [1,0,0,1,0,0|2,0,0]=4 11554 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [1,0,0,1,0,0|2,0,0]=4 11555 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [1,0,0,1,0,0|2,0,0]=4 11556 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [1,0,0,1,0,0|2,0,0]=4 11557 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [1,0,0,1,0,0|2,0,0]=4 11558 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [1,0,0,1,0,0|2,0,0]=4 11559 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [1,0,0,1,0,0|2,0,0]=4 11560 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [1,0,0,1,0,0|2,0,0]=4 11561 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [1,0,0,1,0,0|2,0,0]=4 11562 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [1,0,0,1,0,0|2,0,0]=4 11563 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [1,0,0,1,0,0|2,0,0]=4 11564 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [1,0,0,1,0,0|2,0,0]=4 11565 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [1,0,0,1,0,0|2,0,0]=4 11566 B15R2.505 CC1CC1C(=O)CCc2ccccc2 1458a_100000211227_100000765856 [1,0,0,1,0,0|0,0,2]=4 11567 B15R2.505 CC1CC1C(=O)NCc2ccccc2 11a_100015324214_100000211227 [1,0,0,1,0,0|1,0,1]=4 11568 B15R2.505 CC1CC1C(=O)NCc2ccccc2 1626a_100015324214_100000211227 [1,0,0,1,0,0|1,0,1]=4 11569 B15R2.505 CC1CC1C(=O)NCc2ccccc2 527a_100015324214_100000211227 [1,0,0,1,0,0|1,0,1]=4 11570 B15R2.505 CC1CC1C(=O)NNc2ccccc2 22a_100015195140_100000211227 [1,0,0,1,0,0|2,0,0]=4 11571 B15R2.24490 O=C(C#Cc1ccccc1)C2CCC2 1458a_100000736102_100000749161 [1,0,0,1,0,0|0,0,2]=4 11572 B15R2.24490 O=C(C=Cc1ccccc1)C2CCC2 1458a_100000210462_100000749161 [1,0,0,1,0,0|0,0,0]=2 11573 B15R2.24490 O=C(C=Cc1ccccc1)C2COC2 1458a_100000210462_100000687716 [1,0,0,1,0,0|1,0,0]=3 11574 B15R2.24490 O=C(C=Cc1ccccc1)N2CCC2 11a_100000754969_100000210462 [1,0,0,1,0,0|1,0,0]=3 11575 B15R2.24490 O=C(C=Cc1ccccn1)C2CCC2 1458a_100000740811_100000749161 [1,0,0,1,0,0|1,0,0]=3 11576 B15R2.24490 O=C(C=Cc1ccccn1)C2COC2 1458a_100000740811_100000687716 [1,0,0,1,0,0|2,0,0]=4 11577 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 11a_100000754969_100000740811 [1,0,0,1,0,0|2,0,0]=4 11578 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 240690a_100000754969_100000740811 [1,0,0,1,0,0|2,0,0]=4 11579 B15R2.24490 O=C(C=Cc1cccnc1)C2CCC2 1458a_100000735890_100000749161 [1,0,0,1,0,0|1,0,0]=3 11580 B15R2.24490 O=C(C=Cc1cccnc1)C2COC2 1458a_100000735890_100000687716 [1,0,0,1,0,0|2,0,0]=4 11581 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 11a_100000754969_100000735890 [1,0,0,1,0,0|2,0,0]=4 11582 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 240690a_100000754969_100000735890 [1,0,0,1,0,0|2,0,0]=4 11583 B15R2.24490 O=C(C=Cc1ccncc1)C2CCC2 1458a_100000682801_100000749161 [1,0,0,1,0,0|1,0,0]=3 11584 B15R2.24490 O=C(C=Cc1ccncc1)C2COC2 1458a_100000682801_100000687716 [1,0,0,1,0,0|2,0,0]=4 11585 B15R2.24490 O=C(C=Cc1ccncc1)N2CCC2 240690a_100000754969_100000682801 [1,0,0,1,0,0|2,0,0]=4 11586 B15R2.24490 O=C(CCc1ccccc1)C2CCC2 1458a_100000185753_100000749161 [1,0,0,1,0,0|0,0,2]=4 11587 B15R2.24490 O=C(CCc1ccccc1)C2CCC2 1458a_100000209988_100000765856 [1,0,0,1,0,0|0,0,2]=4 11588 B15R2.24490 O=C(CNc1ccccc1)C2CCC2 34a_100000106764_100000686122 [1,0,0,1,0,0|1,0,1]=4 11589 B15R2.24490 O=C(COc1ccccc1)C2CCC2 1458a_100000186222_100000749161 [1,0,0,1,0,0|1,0,1]=4 11590 B15R2.24490 O=C(COc1ccccc1)C2CCC2 34a_100000210340_100000686122 [1,0,0,1,0,0|1,0,1]=4 11591 B15R2.24490 O=C(COc1ccccc1)C2CCC2 7a_100000210340_100000686122 [1,0,0,1,0,0|1,0,1]=4 11592 B15R2.24490 O=C(CSc1ccccc1)C2CCC2 1458a_100000211596_100000749161 [1,0,0,1,0,0|1,0,1]=4 11593 B15R2.24490 O=C(CSc1ccccc1)C2CCC2 62a_100000686122_100000041952 [1,0,0,1,0,0|1,0,1]=4 11594 B15R2.24490 O=C(CSc1ccccc1)C2CCC2 62a_100000719477_100000686122 [1,0,0,1,0,0|1,0,1]=4 11595 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 11a_100015324214_100000209988 [1,0,0,1,0,0|1,0,1]=4 11596 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 1626a_100015324214_100000209988 [1,0,0,1,0,0|1,0,1]=4 11597 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 240690a_100015324214_100000209988 [1,0,0,1,0,0|1,0,1]=4 11598 B15R2.24490 O=C(NCc1ccccc1)C2CCC2 527a_100015324214_100000209988 [1,0,0,1,0,0|1,0,1]=4 11599 B15R2.24490 O=C(NNc1ccccc1)C2CCC2 22a_100015195140_100000209988 [1,0,0,1,0,0|2,0,0]=4 11600 B15R2.24494 O=C(C#Cc1ccccc1)CC2CC2 1458a_100000736102_100000742324 [1,0,0,1,0,0|0,0,2]=4 11601 B15R2.24494 O=C(C=Cc1ccccc1)CC2CC2 1458a_100000210462_100000742324 [1,0,0,1,0,0|0,0,0]=2 11602 B15R2.24494 O=C(C=Cc1ccccc1)CC2CO2 1458a_100000210462_100011216344 [1,0,0,1,0,0|1,0,0]=3 11603 B15R2.24494 O=C(C=Cc1ccccc1)CC2CS2 1458a_100000210462_100000031435 [1,0,0,1,0,0|1,0,0]=3 11604 B15R2.24494 O=C(C=Cc1ccccc1)C[C@@H]2CO2 1458a_100000210462_100000745022 [1,0,0,1,0,0|1,0,0]=3 11605 B15R2.24494 O=C(C=Cc1ccccc1)NC2CC2 1626a_100000212008_100000210462 [1,0,0,1,0,0|1,0,0]=3 11606 B15R2.24494 O=C(C=Cc1ccccn1)CC2CC2 1458a_100000740811_100000742324 [1,0,0,1,0,0|1,0,0]=3 11607 B15R2.24494 O=C(C=Cc1ccccn1)CC2CO2 1458a_100000740811_100011216344 [1,0,0,1,0,0|2,0,0]=4 11608 B15R2.24494 O=C(C=Cc1ccccn1)CC2CS2 1458a_100000740811_100000031435 [1,0,0,1,0,0|2,0,0]=4 11609 B15R2.24494 O=C(C=Cc1ccccn1)C[C@@H]2CO2 1458a_100000740811_100000745022 [1,0,0,1,0,0|2,0,0]=4 11610 B15R2.24494 O=C(C=Cc1ccccn1)NC2CC2 240690a_100000212008_100000740811 [1,0,0,1,0,0|2,0,0]=4 11611 B15R2.24494 O=C(C=Cc1cccnc1)CC2CC2 1458a_100000735890_100000742324 [1,0,0,1,0,0|1,0,0]=3 11612 B15R2.24494 O=C(C=Cc1cccnc1)CC2CO2 1458a_100000735890_100011216344 [1,0,0,1,0,0|2,0,0]=4 11613 B15R2.24494 O=C(C=Cc1cccnc1)CC2CS2 1458a_100000735890_100000031435 [1,0,0,1,0,0|2,0,0]=4 11614 B15R2.24494 O=C(C=Cc1cccnc1)C[C@@H]2CO2 1458a_100000735890_100000745022 [1,0,0,1,0,0|2,0,0]=4 11615 B15R2.24494 O=C(C=Cc1cccnc1)NC2CC2 240690a_100000212008_100000735890 [1,0,0,1,0,0|2,0,0]=4 11616 B15R2.24494 O=C(C=Cc1ccncc1)CC2CC2 1458a_100000682801_100000742324 [1,0,0,1,0,0|1,0,0]=3 11617 B15R2.24494 O=C(C=Cc1ccncc1)CC2CO2 1458a_100000682801_100011216344 [1,0,0,1,0,0|2,0,0]=4 11618 B15R2.24494 O=C(C=Cc1ccncc1)CC2CS2 1458a_100000682801_100000031435 [1,0,0,1,0,0|2,0,0]=4 11619 B15R2.24494 O=C(C=Cc1ccncc1)C[C@@H]2CO2 1458a_100000682801_100000745022 [1,0,0,1,0,0|2,0,0]=4 11620 B15R2.24494 O=C(C=Cc1ccncc1)NC2CC2 240690a_100000212008_100000682801 [1,0,0,1,0,0|2,0,0]=4 11621 B15R2.24494 O=C(C=Cc1cncnc1)CC2CC2 6a_100000749868_200000686933 [1,0,0,1,0,0|2,0,0]=4 11622 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 11a_100015324214_100000738066 [1,0,0,1,0,0|1,0,1]=4 11623 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 1626a_100015324214_100000738066 [1,0,0,1,0,0|1,0,1]=4 11624 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 240690a_100015324214_100000738066 [1,0,0,1,0,0|1,0,1]=4 11625 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 527a_100015324214_100000738066 [1,0,0,1,0,0|1,0,1]=4 11626 B15R2.24494 O=C(CC1CC1)NNc2ccccc2 22a_100015195140_100000738066 [1,0,0,1,0,0|2,0,0]=4 11627 B15R2.24494 O=C(CCc1ccccc1)CC2CC2 1458a_100000185753_100000742324 [1,0,0,1,0,0|0,0,2]=4 11628 B15R2.24494 O=C(CCc1ccccc1)CC2CC2 1458a_100000738066_100000765856 [1,0,0,1,0,0|0,0,2]=4 11629 B15R2.24494 O=C(COc1ccccc1)CC2CC2 1458a_100000186222_100000742324 [1,0,0,1,0,0|1,0,1]=4 11630 B15R2.24494 O=C(CSc1ccccc1)CC2CC2 1458a_100000211596_100000742324 [1,0,0,1,0,0|1,0,1]=4 11631 B15R2.92869 CCCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210211 [1,0,0,1,0,0|0,0,2]=4 11632 B15R2.949 CC1CCN1C(=O)C=Cc2cccs2 11a_100000755817_100000182767 [0,0,0,1,1,0|2,0,0]=4 11633 B15R2.949 CC1CCN1C(=O)C=Cc2cccs2 240690a_100000755817_100000182767 [0,0,0,1,1,0|2,0,0]=4 11634 B15R2.949 CC1CCN1C(=O)C=Cc2ccoc2 11a_100000755817_100000238621 [0,0,0,1,1,0|2,0,0]=4 11635 B15R2.949 CC1CCN1C(=O)C=Cc2ccoc2 240690a_100000755817_100000238621 [0,0,0,1,1,0|2,0,0]=4 11636 B15R2.949 CC1CCN1C(=O)C=Cc2ccsc2 11a_100000755817_100000698588 [0,0,0,1,1,0|2,0,0]=4 11637 B15R2.949 CC1CCN1C(=O)C=Cc2ccsc2 240690a_100000755817_100000698588 [0,0,0,1,1,0|2,0,0]=4 11638 B15R2.949 CC1CCN1C(=O)C=Cc2ccsc2 527a_100000755817_100000698588 [0,0,0,1,1,0|2,0,0]=4 11639 B15R2.2123 CCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210210 [0,0,0,1,1,0|2,0,0]=4 11640 B15R2.2123 CCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210210 [0,0,0,1,1,0|2,0,0]=4 11641 B15R2.2123 CCCCOc1ccc2ccoc2c1 34a_100000089557_100000210210 [0,0,0,1,1,0|2,0,0]=4 11642 B15R2.2123 CCCCOc1ccc2ccoc2c1 7a_100000089557_100000210211 [0,0,0,1,1,0|2,0,0]=4 11643 B15R2.2123 CCCCOc1ccc2occc2c1 34a_100000070125_100000210210 [0,0,0,1,1,0|2,0,0]=4 11644 B15R2.2123 CCCCOc1ccc2occc2c1 7a_100000070125_100000210211 [0,0,0,1,1,0|2,0,0]=4 11645 B15R2.2123 CCCCOc1ccc2sccc2c1 34a_100012180905_100000210210 [0,0,0,1,1,0|2,0,0]=4 11646 B15R2.2123 CCCCOc1ccc2sccc2c1 7a_100012180905_100000210211 [0,0,0,1,1,0|2,0,0]=4 11647 B15R2.3989 O=C(C=Cc1cccs1)C2CCCC2 1458a_100000182767_100000179811 [0,0,0,1,1,0|2,0,0]=4 11648 B15R2.3989 O=C(C=Cc1cccs1)N2CCCC2 240690a_100000188435_100000182767 [0,0,0,1,1,0|2,0,0]=4 11649 B15R2.3989 O=C(C=Cc1ccoc1)C2CCCC2 1458a_100000238621_100000179811 [0,0,0,1,1,0|2,0,0]=4 11650 B15R2.3989 O=C(C=Cc1ccoc1)N2CCCC2 240690a_100000188435_100000238621 [0,0,0,1,1,0|2,0,0]=4 11651 B15R2.3989 O=C(C=Cc1ccsc1)C2CCCC2 1458a_100000698588_100000179811 [0,0,0,1,1,0|2,0,0]=4 11652 B15R2.3989 O=C(C=Cc1ccsc1)N2CCCC2 240690a_100000188435_100000698588 [0,0,0,1,1,0|2,0,0]=4 11653 B15R2.3989 O=C(C=Cc1ccsc1)N2CCCC2 527a_100000188435_100000698588 [0,0,0,1,1,0|2,0,0]=4 11654 B15R2.24499 O=C(C=Cc1cccs1)CCC2CC2 1458a_100000182767_100000694398 [0,0,0,1,1,0|2,0,0]=4 11655 B15R2.24499 O=C(C=Cc1cccs1)NCC2CC2 11a_100000735609_100000182767 [0,0,0,1,1,0|2,0,0]=4 11656 B15R2.24499 O=C(C=Cc1cccs1)NCC2CC2 1626a_100000735609_100000182767 [0,0,0,1,1,0|2,0,0]=4 11657 B15R2.24499 O=C(C=Cc1cccs1)NCC2CC2 240690a_100000735609_100000182767 [0,0,0,1,1,0|2,0,0]=4 11658 B15R2.24499 O=C(C=Cc1ccoc1)CCC2CC2 1458a_100000238621_100000694398 [0,0,0,1,1,0|2,0,0]=4 11659 B15R2.24499 O=C(C=Cc1ccoc1)NCC2CC2 11a_100000735609_100000238621 [0,0,0,1,1,0|2,0,0]=4 11660 B15R2.24499 O=C(C=Cc1ccoc1)NCC2CC2 1626a_100000735609_100000238621 [0,0,0,1,1,0|2,0,0]=4 11661 B15R2.24499 O=C(C=Cc1ccoc1)NCC2CC2 240690a_100000735609_100000238621 [0,0,0,1,1,0|2,0,0]=4 11662 B15R2.24499 O=C(C=Cc1ccsc1)CCC2CC2 1458a_100000698588_100000694398 [0,0,0,1,1,0|2,0,0]=4 11663 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 11a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 11664 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 1626a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 11665 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 240690a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 11666 B15R2.24499 O=C(C=Cc1ccsc1)NCC2CC2 527a_100000735609_100000698588 [0,0,0,1,1,0|2,0,0]=4 11667 B15R2.95187 O=C(C=Cc1cccs1)CC2CCC2 1458a_100000182767_100000763275 [0,0,0,1,1,0|2,0,0]=4 11668 B15R2.95187 O=C(C=Cc1cccs1)NC2CCC2 11a_100000749019_100000182767 [0,0,0,1,1,0|2,0,0]=4 11669 B15R2.95187 O=C(C=Cc1cccs1)NC2CCC2 1626a_100000749019_100000182767 [0,0,0,1,1,0|2,0,0]=4 11670 B15R2.95187 O=C(C=Cc1cccs1)NC2CCC2 240690a_100000749019_100000182767 [0,0,0,1,1,0|2,0,0]=4 11671 B15R2.95187 O=C(C=Cc1ccoc1)CC2CCC2 1458a_100000238621_100000763275 [0,0,0,1,1,0|2,0,0]=4 11672 B15R2.95187 O=C(C=Cc1ccoc1)NC2CCC2 11a_100000749019_100000238621 [0,0,0,1,1,0|2,0,0]=4 11673 B15R2.95187 O=C(C=Cc1ccoc1)NC2CCC2 1626a_100000749019_100000238621 [0,0,0,1,1,0|2,0,0]=4 11674 B15R2.95187 O=C(C=Cc1ccoc1)NC2CCC2 240690a_100000749019_100000238621 [0,0,0,1,1,0|2,0,0]=4 11675 B15R2.95187 O=C(C=Cc1ccsc1)CC2CCC2 1458a_100000698588_100000763275 [0,0,0,1,1,0|2,0,0]=4 11676 B15R2.95187 O=C(C=Cc1ccsc1)NC2CCC2 11a_100000749019_100000698588 [0,0,0,1,1,0|2,0,0]=4 11677 B15R2.95187 O=C(C=Cc1ccsc1)NC2CCC2 1626a_100000749019_100000698588 [0,0,0,1,1,0|2,0,0]=4 11678 B15R2.95187 O=C(C=Cc1ccsc1)NC2CCC2 240690a_100000749019_100000698588 [0,0,0,1,1,0|2,0,0]=4 11679 B15R2.95187 O=C(C=Cc1ccsc1)NC2CCC2 527a_100000749019_100000698588 [0,0,0,1,1,0|2,0,0]=4 11680 B15R2.64 O=C(Cc1ccccc1)C2CCCC2 1458a_100000210718_100015291786 [0,0,0,1,1,0|1,0,1]=4 11681 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 11a_100000106764_100000210718 [0,0,0,1,1,0|2,0,0]=4 11682 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 1626a_100000106764_100000210718 [0,0,0,1,1,0|2,0,0]=4 11683 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 22a_100000106764_100000210718 [0,0,0,1,1,0|2,0,0]=4 11684 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 527a_100000106764_100000210718 [0,0,0,1,1,0|2,0,0]=4 11685 B15R2.64 O=C(Nc1ccccc1)N2CCCC2 2430a_100000106764_100000188435 [0,0,0,1,1,0|2,0,0]=4 11686 B15R2.1122 CC1CCN1C(=O)Nc2ccccc2 2430a_100000106764_100000755817 [0,0,0,1,1,0|2,0,0]=4 11687 B15R2.1256 O=C(CCC1CC1)Cc2ccccc2 1458a_100000756386_100015291786 [0,0,0,1,1,0|1,0,1]=4 11688 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 11a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 11689 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 1626a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 11690 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 22a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 11691 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 527a_100000106764_100000756386 [0,0,0,1,1,0|2,0,0]=4 11692 B15R2.1256 O=C(NCC1CC1)Nc2ccccc2 2430a_100000106764_100000735609 [0,0,0,1,1,0|2,0,0]=4 11693 B15R2.1690 CCC1CC1C(=O)Cc2ccccc2 1458a_200011661523_100015291786 [0,0,0,1,1,0|1,0,1]=4 11694 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 11a_100000106764_200011661523 [0,0,0,1,1,0|2,0,0]=4 11695 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 1626a_100000106764_200011661523 [0,0,0,1,1,0|2,0,0]=4 11696 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 22a_100000106764_200011661523 [0,0,0,1,1,0|2,0,0]=4 11697 B15R2.1690 CCC1CC1C(=O)Nc2ccccc2 527a_100000106764_200011661523 [0,0,0,1,1,0|2,0,0]=4 11698 B15R2.2203 CCCCSc1cc2ccccc2[nH]1 62a_100000210211_100010232065 [0,0,0,1,1,0|1,1,0]=4 11699 B15R2.2203 CCCCSc1cc2ccccc2o1 62a_100000210211_100010159458 [0,0,0,1,1,0|0,1,1]=4 11700 B15R2.2203 CCCCSc1cc2ccccc2s1 62a_100000210211_100009816949 [0,0,0,1,1,0|0,2,0]=4 11701 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 11a_100000106764_100000763092 [0,0,0,1,1,0|2,0,0]=4 11702 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 1626a_100000106764_100000763092 [0,0,0,1,1,0|2,0,0]=4 11703 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 22a_100000106764_100000763092 [0,0,0,1,1,0|2,0,0]=4 11704 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 527a_100000106764_100000763092 [0,0,0,1,1,0|2,0,0]=4 11705 B15R2.16446 O=C(Cc1ccccc1)CC2CCC2 1458a_100000763092_100015291786 [0,0,0,1,1,0|1,0,1]=4 11706 B15R2.16446 O=C(Nc1ccccc1)NC2CCC2 2430a_100000106764_100000749019 [0,0,0,1,1,0|2,0,0]=4 11707 B17R2.268 CCCCNc1nc(cs1)c2ccccc2 27a_100000102301_100011830410 [0,0,0,1,0,1|2,0,0]=4 11708 B17R2.268 CCCCNc1ncc(o1)c2ccccc2 27a_100000102301_100000729704 [0,0,0,1,0,1|1,0,1]=4 11709 B17R2.268 CCCCNc1ncc(s1)c2ccccc2 27a_100000102301_100000685549 [0,0,0,1,0,1|1,1,0]=4 11710 B17R2.268 CCCCSc1c[nH]c(n1)c2ccccc2 62a_100000210211_200010210587 [0,0,0,1,0,1|1,1,0]=4 11711 B17R2.268 CCCCSc1c[nH]c(n1)c2ccccc2 62a_200010210587_100000210210 [0,0,0,1,0,1|1,1,0]=4 11712 B17R2.268 CCCCSc1ccc(s1)c2ccccc2 62a_100000210211_100009814279 [0,0,0,1,0,1|0,2,0]=4 11713 B17R2.268 CCCCSc1ccc(s1)c2ccccc2 62a_100009814279_100000210210 [0,0,0,1,0,1|0,2,0]=4 11714 B17R2.268 CCCCSc1cnc(o1)c2ccccc2 62a_100000210211_100009814072 [0,0,0,1,0,1|0,1,1]=4 11715 B17R2.268 CCCCSc1cnc(s1)c2ccccc2 62a_100000210211_100000726391 [0,0,0,1,0,1|0,2,0]=4 11716 B17R2.268 CCCCSc1cnc(s1)c2ccccc2 62a_100000726391_100000210210 [0,0,0,1,0,1|0,2,0]=4 11717 B17R2.268 CCCCSc1coc(n1)c2ccccc2 62a_100000210211_100010163736 [0,0,0,1,0,1|1,1,0]=4 11718 B17R2.268 CCCCSc1coc(n1)c2ccccc2 62a_100010163736_100000210210 [0,0,0,1,0,1|1,1,0]=4 11719 B17R2.268 CCCCSc1nc(cs1)c2ccccc2 62a_100000210211_100011830410 [0,0,0,1,0,1|1,1,0]=4 11720 B17R2.268 CCCCSc1nc(cs1)c2ccccc2 62a_100011830410_100000210210 [0,0,0,1,0,1|1,1,0]=4 11721 B17R2.268 CCCCSc1ncc(o1)c2ccccc2 62a_100000210211_100000729704 [0,0,0,1,0,1|0,1,1]=4 11722 B17R2.268 CCCCSc1ncc(s1)c2ccccc2 62a_100000210211_100000685549 [0,0,0,1,0,1|0,2,0]=4 11723 B17R2.268 CCCCSc1ncc(s1)c2ccccc2 62a_100000685549_100000210210 [0,0,0,1,0,1|0,2,0]=4 11724 B17R2.1600 CCC1CC1C(=O)C/C=C/c2ccccc2 1458a_200011661523_100016265936 [0,0,0,1,0,1|1,0,0]=3 11725 B17R2.2343 CCCCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210326 [0,0,0,1,0,1|1,0,0]=3 11726 B17R2.2343 CCCCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210326 [0,0,0,1,0,1|1,0,0]=3 11727 B17R2.2343 CCCCNC(=O)C1=CCc2c1cccc2 11a_100000102301_100000037392 [0,0,0,1,0,1|1,0,0]=3 11728 B17R2.2343 CCCCNC(=O)C1=CCc2c1cccc2 1626a_100000102301_100000037392 [0,0,0,1,0,1|1,0,0]=3 11729 B17R2.2343 CCCCNC(=O)C1=CCc2c1cccc2 240690a_100000102301_100000037392 [0,0,0,1,0,1|1,0,0]=3 11730 B17R2.2343 CCCCNC(=O)C1C=Cc2c1cccc2 1626a_100000102301_200009832160 [0,0,0,1,0,1|1,0,0]=3 11731 B17R2.2343 CCCCNC(=O)C1C=Cc2c1cccc2 240690a_100000102301_200009832160 [0,0,0,1,0,1|1,0,0]=3 11732 B17R2.2343 CCCCNC(=O)C1C=Cc2c1cccc2 527a_100000102301_200009832160 [0,0,0,1,0,1|1,0,0]=3 11733 B17R2.2343 CCCNNC(=O)C1=CCc2c1cccc2 22a_100000740057_100000037392 [0,0,0,1,0,1|2,0,0]=4 11734 B17R2.2343 CCCSCC(=O)c1c[nH]c2c1cccc2 62a_100000210303_100000183220 [0,0,0,1,0,1|2,0,0]=4 11735 B17R2.2343 CCCSCC(=O)c1coc2c1cccc2 62a_100000233777_100000210303 [0,0,0,1,0,1|2,0,0]=4 11736 B17R2.2343 CCCSCC(=O)c1csc2c1cccc2 62a_100000689783_100000210303 [0,0,0,1,0,1|2,0,0]=4 11737 B17R2.2343 CCOCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100011215890 [0,0,0,1,0,1|2,0,0]=4 11738 B17R2.2343 CCOCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100011215890 [0,0,0,1,0,1|2,0,0]=4 11739 B17R2.2343 CCSCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000757381 [0,0,0,1,0,1|2,0,0]=4 11740 B17R2.2343 CCSCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000757381 [0,0,0,1,0,1|2,0,0]=4 11741 B17R2.2343 COCCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000740836 [0,0,0,1,0,1|2,0,0]=4 11742 B17R2.2343 COCCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000740836 [0,0,0,1,0,1|2,0,0]=4 11743 B17R2.2343 COCCNC(=O)C1=CCc2c1cccc2 1626a_100000209980_100000037392 [0,0,0,1,0,1|2,0,0]=4 11744 B17R2.2343 COCCNC(=O)C1=CCc2c1cccc2 240690a_100000209980_100000037392 [0,0,0,1,0,1|2,0,0]=4 11745 B17R2.2343 COCCNC(=O)C1C=Cc2c1cccc2 1626a_100000209980_200009832160 [0,0,0,1,0,1|2,0,0]=4 11746 B17R2.2343 COCCNC(=O)C1C=Cc2c1cccc2 240690a_100000209980_200009832160 [0,0,0,1,0,1|2,0,0]=4 11747 B17R2.2343 COCCNC(=O)C1C=Cc2c1cccc2 527a_100000209980_200009832160 [0,0,0,1,0,1|2,0,0]=4 11748 B17R2.2343 CSCCNC(=O)C1=CCc2c1cccc2 11a_100020590264_100000037392 [0,0,0,1,0,1|2,0,0]=4 11749 B17R2.2343 CSCCNC(=O)C1=CCc2c1cccc2 1626a_100020590264_100000037392 [0,0,0,1,0,1|2,0,0]=4 11750 B17R2.2343 CSCCNC(=O)C1=CCc2c1cccc2 240690a_100020590264_100000037392 [0,0,0,1,0,1|2,0,0]=4 11751 B17R2.2343 CSCCNC(=O)C1C=Cc2c1cccc2 1626a_100020590264_200009832160 [0,0,0,1,0,1|2,0,0]=4 11752 B17R2.2343 CSCCNC(=O)C1C=Cc2c1cccc2 240690a_100020590264_200009832160 [0,0,0,1,0,1|2,0,0]=4 11753 B17R2.2343 CSCCNC(=O)C1C=Cc2c1cccc2 527a_100020590264_200009832160 [0,0,0,1,0,1|2,0,0]=4 11754 B17R2.2343 O=C(CCCCF)C1=CCc2c1cccc2 1458a_100000037392_100000729493 [0,0,0,1,0,1|2,0,0]=4 11755 B17R2.2343 O=C(CCCCF)C1C=Cc2c1cccc2 1458a_200009832160_100000729493 [0,0,0,1,0,1|2,0,0]=4 11756 B17R2.2343 O=C(CCCCO)C1=CCc2c1cccc2 1458a_100000037392_100000210776 [0,0,0,1,0,1|2,0,0]=4 11757 B17R2.2343 O=C(CCCCO)C1C=Cc2c1cccc2 1458a_200009832160_100000210776 [0,0,0,1,0,1|2,0,0]=4 11758 B17R2.2343 O=C(NCCCF)C1=CCc2c1cccc2 11a_100015189416_100000037392 [0,0,0,1,0,1|2,0,0]=4 11759 B17R2.2343 O=C(NCCCF)C1=CCc2c1cccc2 1626a_100015189416_100000037392 [0,0,0,1,0,1|2,0,0]=4 11760 B17R2.2343 O=C(NCCCF)C1=CCc2c1cccc2 240690a_100015189416_100000037392 [0,0,0,1,0,1|2,0,0]=4 11761 B17R2.2343 O=C(NCCCF)C1C=Cc2c1cccc2 1626a_100015189416_200009832160 [0,0,0,1,0,1|2,0,0]=4 11762 B17R2.2343 O=C(NCCCF)C1C=Cc2c1cccc2 240690a_100015189416_200009832160 [0,0,0,1,0,1|2,0,0]=4 11763 B17R2.2343 O=C(NCCCF)C1C=Cc2c1cccc2 527a_100015189416_200009832160 [0,0,0,1,0,1|2,0,0]=4 11764 B17R2.2343 O=C(NCCCO)C1=CCc2c1cccc2 240690a_100000182051_100000037392 [0,0,0,1,0,1|2,0,0]=4 11765 B17R2.2343 O=C(NCCCO)C1C=Cc2c1cccc2 240690a_100000182051_200009832160 [0,0,0,1,0,1|2,0,0]=4 11766 B17R2.2343 O=C(NCCCO)C1C=Cc2c1cccc2 527a_100000182051_200009832160 [0,0,0,1,0,1|2,0,0]=4 11767 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100011219626 [0,0,0,1,0,1|2,0,0]=4 11768 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100011219626 [0,0,0,1,0,1|2,0,0]=4 11769 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100011219626 [0,0,0,1,0,1|2,0,0]=4 11770 B17R2.3926 O=C(C/C=C/c1ccccc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100011219626 [0,0,0,1,0,1|2,0,0]=4 11771 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016262050 [0,0,0,1,0,1|2,0,0]=4 11772 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100016262050 [0,0,0,1,0,1|2,0,0]=4 11773 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100016262050 [0,0,0,1,0,1|2,0,0]=4 11774 B17R2.3926 O=C(C=CSc1ccccc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100016262050 [0,0,0,1,0,1|2,0,0]=4 11775 B17R2.4904 CC1CCN1C(=O)C/C=C/c2ccccc2 11a_100000755817_100011219626 [0,0,0,1,0,1|1,0,0]=3 11776 B17R2.4904 CC1CCN1C(=O)C/C=C/c2ccccc2 240690a_100000755817_100011219626 [0,0,0,1,0,1|1,0,0]=3 11777 B17R2.4904 CC1CCN1C(=O)C=CSc2ccccc2 11a_100000755817_100016262050 [0,0,0,1,0,1|1,0,0]=3 11778 B17R2.4904 CC1CCN1C(=O)C=CSc2ccccc2 240690a_100000755817_100016262050 [0,0,0,1,0,1|1,0,0]=3 11779 B17R2.5714 O=C(C/C=C/c1ccccc1)C2=CCCC2 1458a_100000038896_100016265936 [0,0,0,1,0,1|1,0,1]=4 11780 B17R2.5714 O=C(C/C=C/c1ccccc1)C2CCCC2 1458a_100000210718_100016265936 [0,0,0,1,0,1|1,0,0]=3 11781 B17R2.5714 O=C(C/C=C/c1ccccc1)C2CCCC2 1458a_100011219626_100000179811 [0,0,0,1,0,1|1,0,0]=3 11782 B17R2.5714 O=C(C/C=C/c1ccccc1)C2CCCS2 1458a_100012002731_100016265936 [0,0,0,1,0,1|2,0,0]=4 11783 B17R2.5714 O=C(C/C=C/c1ccccc1)C2CCOC2 1458a_100011219626_100000690089 [0,0,0,1,0,1|2,0,0]=4 11784 B17R2.5714 O=C(C/C=C/c1ccccc1)C2CCOC2 1458a_100011219752_100016265936 [0,0,0,1,0,1|2,0,0]=4 11785 B17R2.5714 O=C(C/C=C/c1ccccc1)N2CCCC2 240690a_100000188435_100011219626 [0,0,0,1,0,1|1,0,0]=3 11786 B17R2.5714 O=C(C/C=C/c1ccccc1)N2CCSC2 11a_100011215254_100011219626 [0,0,0,1,0,1|2,0,0]=4 11787 B17R2.5714 O=C(C/C=C/c1ccccc1)N2CCSC2 240690a_100011215254_100011219626 [0,0,0,1,0,1|2,0,0]=4 11788 B17R2.5714 O=C(C/C=C/c1ccccc1)[C@@H]2CCCO2 1458a_100000686382_100016265936 [0,0,0,1,0,1|2,0,0]=4 11789 B17R2.5714 O=C(C=CSc1ccccc1)C2CCCC2 1458a_100016262050_100000179811 [0,0,0,1,0,1|1,0,0]=3 11790 B17R2.5714 O=C(C=CSc1ccccc1)C2CCOC2 1458a_100016262050_100000690089 [0,0,0,1,0,1|2,0,0]=4 11791 B17R2.5714 O=C(C=CSc1ccccc1)N2CCCC2 240690a_100000188435_100016262050 [0,0,0,1,0,1|1,0,0]=3 11792 B17R2.5714 O=C(C=CSc1ccccc1)N2CCSC2 11a_100011215254_100016262050 [0,0,0,1,0,1|2,0,0]=4 11793 B17R2.5714 O=C(C=CSc1ccccc1)N2CCSC2 240690a_100011215254_100016262050 [0,0,0,1,0,1|2,0,0]=4 11794 B17R2.5714 O=C(NN=Cc1ccccc1)C2CCCC2 4a_100000189808_100015611070 [0,0,0,1,0,1|2,0,0]=4 11795 B17R2.294960 O=C(C/C=C/c1ccccc1)CC2CCC2 1458a_100000763092_100016265936 [0,0,0,1,0,1|1,0,0]=3 11796 B17R2.294960 O=C(C/C=C/c1ccccc1)CC2CCC2 1458a_100011219626_100000763275 [0,0,0,1,0,1|1,0,0]=3 11797 B17R2.294960 O=C(C/C=C/c1ccccc1)CC2CCO2 1458a_100011219626_100000103362 [0,0,0,1,0,1|2,0,0]=4 11798 B17R2.294960 O=C(C/C=C/c1ccccc1)CC2COC2 1458a_100000687760_100016265936 [0,0,0,1,0,1|2,0,0]=4 11799 B17R2.294960 O=C(C/C=C/c1ccccc1)CC2COC2 1458a_100011219626_100010264016 [0,0,0,1,0,1|2,0,0]=4 11800 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2CCC2 11a_100000749019_100011219626 [0,0,0,1,0,1|1,0,0]=3 11801 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2CCC2 1626a_100000749019_100011219626 [0,0,0,1,0,1|1,0,0]=3 11802 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2CCC2 240690a_100000749019_100011219626 [0,0,0,1,0,1|1,0,0]=3 11803 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2COC2 11a_100016991112_100011219626 [0,0,0,1,0,1|2,0,0]=4 11804 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2COC2 1626a_100016991112_100011219626 [0,0,0,1,0,1|2,0,0]=4 11805 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2COC2 240690a_100016991112_100011219626 [0,0,0,1,0,1|2,0,0]=4 11806 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2CSC2 11a_100016994217_100011219626 [0,0,0,1,0,1|2,0,0]=4 11807 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2CSC2 1626a_100016994217_100011219626 [0,0,0,1,0,1|2,0,0]=4 11808 B17R2.294960 O=C(C/C=C/c1ccccc1)NC2CSC2 240690a_100016994217_100011219626 [0,0,0,1,0,1|2,0,0]=4 11809 B17R2.294960 O=C(C=C1CCC1)C/C=C/c2ccccc2 1458a_100000686340_100016265936 [0,0,0,1,0,1|1,0,1]=4 11810 B17R2.294960 O=C(C=CSc1ccccc1)CC2CCC2 1458a_100016262050_100000763275 [0,0,0,1,0,1|1,0,0]=3 11811 B17R2.294960 O=C(C=CSc1ccccc1)CC2CCO2 1458a_100016262050_100000103362 [0,0,0,1,0,1|2,0,0]=4 11812 B17R2.294960 O=C(C=CSc1ccccc1)CC2COC2 1458a_100016262050_100010264016 [0,0,0,1,0,1|2,0,0]=4 11813 B17R2.294960 O=C(C=CSc1ccccc1)NC2CCC2 11a_100000749019_100016262050 [0,0,0,1,0,1|1,0,0]=3 11814 B17R2.294960 O=C(C=CSc1ccccc1)NC2CCC2 1626a_100000749019_100016262050 [0,0,0,1,0,1|1,0,0]=3 11815 B17R2.294960 O=C(C=CSc1ccccc1)NC2CCC2 240690a_100000749019_100016262050 [0,0,0,1,0,1|1,0,0]=3 11816 B17R2.294960 O=C(C=CSc1ccccc1)NC2COC2 11a_100016991112_100016262050 [0,0,0,1,0,1|2,0,0]=4 11817 B17R2.294960 O=C(C=CSc1ccccc1)NC2COC2 1626a_100016991112_100016262050 [0,0,0,1,0,1|2,0,0]=4 11818 B17R2.294960 O=C(C=CSc1ccccc1)NC2COC2 240690a_100016991112_100016262050 [0,0,0,1,0,1|2,0,0]=4 11819 B17R2.294960 O=C(C=CSc1ccccc1)NC2CSC2 11a_100016994217_100016262050 [0,0,0,1,0,1|2,0,0]=4 11820 B17R2.294960 O=C(C=CSc1ccccc1)NC2CSC2 1626a_100016994217_100016262050 [0,0,0,1,0,1|2,0,0]=4 11821 B17R2.294960 O=C(C=CSc1ccccc1)NC2CSC2 240690a_100016994217_100016262050 [0,0,0,1,0,1|2,0,0]=4 11822 B17R2.294966 O=C(C/C=C/c1ccccc1)CCC2CC2 1458a_100000756386_100016265936 [0,0,0,1,0,1|1,0,0]=3 11823 B17R2.294966 O=C(C/C=C/c1ccccc1)CCC2CC2 1458a_100011219626_100000694398 [0,0,0,1,0,1|1,0,0]=3 11824 B17R2.294966 O=C(C/C=C/c1ccccc1)CCC2CO2 1458a_100011219626_100000732470 [0,0,0,1,0,1|2,0,0]=4 11825 B17R2.294966 O=C(C/C=C/c1ccccc1)NCC2CC2 11a_100000735609_100011219626 [0,0,0,1,0,1|1,0,0]=3 11826 B17R2.294966 O=C(C/C=C/c1ccccc1)NCC2CC2 1626a_100000735609_100011219626 [0,0,0,1,0,1|1,0,0]=3 11827 B17R2.294966 O=C(C/C=C/c1ccccc1)NCC2CC2 240690a_100000735609_100011219626 [0,0,0,1,0,1|1,0,0]=3 11828 B17R2.294966 O=C(C/C=C/c1ccccc1)NNC2CC2 22a_100000701032_100011219626 [0,0,0,1,0,1|2,0,0]=4 11829 B17R2.294966 O=C(C=CC1CC1)C/C=C/c2ccccc2 1458a_100102529529_100016265936 [0,0,0,1,0,1|1,0,1]=4 11830 B17R2.294966 O=C(C=CSc1ccccc1)CCC2CC2 1458a_100016262050_100000694398 [0,0,0,1,0,1|1,0,0]=3 11831 B17R2.294966 O=C(C=CSc1ccccc1)CCC2CO2 1458a_100016262050_100000732470 [0,0,0,1,0,1|2,0,0]=4 11832 B17R2.294966 O=C(C=CSc1ccccc1)NCC2CC2 11a_100000735609_100016262050 [0,0,0,1,0,1|1,0,0]=3 11833 B17R2.294966 O=C(C=CSc1ccccc1)NCC2CC2 1626a_100000735609_100016262050 [0,0,0,1,0,1|1,0,0]=3 11834 B17R2.294966 O=C(C=CSc1ccccc1)NCC2CC2 240690a_100000735609_100016262050 [0,0,0,1,0,1|1,0,0]=3 11835 B17R2.294966 O=C(C=CSc1ccccc1)NNC2CC2 22a_100000701032_100016262050 [0,0,0,1,0,1|2,0,0]=4 11836 B17R2.1593 CCC1CC1C(=O)CC(=O)c2ccccc2 1458a_200011661523_100000211460 [0,1,0,1,0,0|1,0,1]=4 11837 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@@H]1F)c2ccccc2 240690a_100015190264_100000743005 [0,1,0,1,0,0|2,0,0]=4 11838 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@@H]1F)c2ccccc2 527a_100015190264_100000743005 [0,1,0,1,0,0|2,0,0]=4 11839 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 11a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 11840 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 1626a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 11841 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 240690a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 11842 B17R2.3909 CC(=CC(=O)N[C@@H]1C[C@H]1F)c2ccccc2 527a_100025746932_100000743005 [0,1,0,1,0,0|2,0,0]=4 11843 B17R2.4885 CC(=CC(=O)N1CCC1C)c2ccccc2 11a_100000755817_100000743005 [0,1,0,1,0,0|1,0,0]=3 11844 B17R2.4885 CC(=CC(=O)N1CCC1C)c2ccccc2 240690a_100000755817_100000743005 [0,1,0,1,0,0|1,0,0]=3 11845 B17R2.4885 CC(=CC(=O)N1CCC1C)c2ccccc2 527a_100000755817_100000743005 [0,1,0,1,0,0|1,0,0]=3 11846 B17R2.4993 O=C1CCCCCC1C(=O)c2ccccc2 1458a_100000185807_100000243696 [0,1,0,1,0,0|1,0,1]=4 11847 B17R2.4993 O=C1NCCCCC1C(=O)c2ccccc2 1458a_100000185807_100000735217 [0,1,0,1,0,0|1,0,1]=4 11848 B17R2.12072 CCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210210 [0,1,0,1,0,0|2,0,0]=4 11849 B17R2.12072 CCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210211 [0,1,0,1,0,0|2,0,0]=4 11850 B17R2.12072 CCCCNc1cc(c2ccccc2n1)C 27a_100000102301_100000184993 [0,1,0,1,0,0|2,0,0]=4 11851 B17R2.12072 CCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210210 [0,1,0,1,0,0|2,0,0]=4 11852 B17R2.12072 CCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210210 [0,1,0,1,0,0|1,0,0]=3 11853 B17R2.12072 CCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210211 [0,1,0,1,0,0|1,0,0]=3 11854 B17R2.12072 CCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210210 [0,1,0,1,0,0|2,0,0]=4 11855 B17R2.12072 CCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210211 [0,1,0,1,0,0|2,0,0]=4 11856 B17R2.12072 CCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210210 [0,1,0,1,0,0|2,0,0]=4 11857 B17R2.12072 CCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210211 [0,1,0,1,0,0|2,0,0]=4 11858 B17R2.12072 CCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210210 [0,1,0,1,0,0|2,0,0]=4 11859 B17R2.12072 CCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210211 [0,1,0,1,0,0|2,0,0]=4 11860 B17R2.12072 CCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210210 [0,1,0,1,0,0|2,0,0]=4 11861 B17R2.12072 CCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210211_100000090176 [0,1,0,1,0,0|1,1,0]=4 11862 B17R2.12072 CCCCSc1cc(c2ccccc2c1)N 62a_100000210211_100010171453 [0,1,0,1,0,0|1,1,0]=4 11863 B17R2.12072 CCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210210 [0,1,0,1,0,0|1,1,0]=4 11864 B17R2.12072 CCCCSc1cc(c2ccccc2c1)O 62a_100000210211_100010089979 [0,1,0,1,0,0|1,1,0]=4 11865 B17R2.12072 CCCCSc1cc(c2ccccc2n1)C 62a_100000210211_100000184993 [0,1,0,1,0,0|1,1,0]=4 11866 B17R2.12072 CCCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210210 [0,1,0,1,0,0|1,1,0]=4 11867 B17R2.12072 CCCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210210 [0,1,0,1,0,0|1,1,0]=4 11868 B17R2.12072 COCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011201679 [0,1,0,1,0,0|2,0,0]=4 11869 B17R2.12072 COCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000233755 [0,1,0,1,0,0|2,0,0]=4 11870 B17R2.12072 CSCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000212216 [0,1,0,1,0,0|2,0,0]=4 11871 B17R2.12072 CSCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000212216 [0,1,0,1,0,0|2,0,0]=4 11872 B17R2.12072 FCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011934791 [0,1,0,1,0,0|2,0,0]=4 11873 B17R2.12072 FCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011934791 [0,1,0,1,0,0|2,0,0]=4 11874 B17R2.12072 OCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000230001 [0,1,0,1,0,0|2,0,0]=4 11875 B17R2.12072 OCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215043 [0,1,0,1,0,0|2,0,0]=4 11876 B17R2.18474 CC(=CC(=O)C1CCCC1)c2ccccc2 1458a_100000743005_100000179811 [0,1,0,1,0,0|1,0,0]=3 11877 B17R2.18474 CC(=CC(=O)C1CCOC1)c2ccccc2 1458a_100000743005_100000690089 [0,1,0,1,0,0|2,0,0]=4 11878 B17R2.18474 CC(=CC(=O)N1CCCC1)c2ccccc2 240690a_100000188435_100000743005 [0,1,0,1,0,0|1,0,0]=3 11879 B17R2.18474 CC(=CC(=O)N1CCCC1)c2ccccc2 527a_100000188435_100000743005 [0,1,0,1,0,0|1,0,0]=3 11880 B17R2.18474 CC(=CC(=O)N1CCSC1)c2ccccc2 11a_100011215254_100000743005 [0,1,0,1,0,0|2,0,0]=4 11881 B17R2.18474 CC(=CC(=O)N1CCSC1)c2ccccc2 240690a_100011215254_100000743005 [0,1,0,1,0,0|2,0,0]=4 11882 B17R2.18474 CC(=CC(=O)N1CCSC1)c2ccccc2 527a_100011215254_100000743005 [0,1,0,1,0,0|2,0,0]=4 11883 B17R2.18474 O=C(CC(=O)C1CCCC1)c2ccccc2 1458a_100000210718_100000211460 [0,1,0,1,0,0|1,0,1]=4 11884 B17R2.18474 O=C(CC(=O)N1CCCC1)c2ccccc2 1458a_100000185807_100000183516 [0,1,0,1,0,0|1,0,1]=4 11885 B17R2.45649 CC(=CC(=O)CC1CCC1)c2ccccc2 1458a_100000743005_100000763275 [0,1,0,1,0,0|1,0,0]=3 11886 B17R2.45649 CC(=CC(=O)CC1CCO1)c2ccccc2 1458a_100000743005_100000103362 [0,1,0,1,0,0|2,0,0]=4 11887 B17R2.45649 CC(=CC(=O)CC1COC1)c2ccccc2 1458a_100000743005_100010264016 [0,1,0,1,0,0|2,0,0]=4 11888 B17R2.45649 CC(=CC(=O)NC1CCC1)c2ccccc2 11a_100000749019_100000743005 [0,1,0,1,0,0|1,0,0]=3 11889 B17R2.45649 CC(=CC(=O)NC1CCC1)c2ccccc2 1626a_100000749019_100000743005 [0,1,0,1,0,0|1,0,0]=3 11890 B17R2.45649 CC(=CC(=O)NC1CCC1)c2ccccc2 240690a_100000749019_100000743005 [0,1,0,1,0,0|1,0,0]=3 11891 B17R2.45649 CC(=CC(=O)NC1CCC1)c2ccccc2 527a_100000749019_100000743005 [0,1,0,1,0,0|1,0,0]=3 11892 B17R2.45649 CC(=CC(=O)NC1COC1)c2ccccc2 11a_100016991112_100000743005 [0,1,0,1,0,0|2,0,0]=4 11893 B17R2.45649 CC(=CC(=O)NC1COC1)c2ccccc2 1626a_100016991112_100000743005 [0,1,0,1,0,0|2,0,0]=4 11894 B17R2.45649 CC(=CC(=O)NC1COC1)c2ccccc2 240690a_100016991112_100000743005 [0,1,0,1,0,0|2,0,0]=4 11895 B17R2.45649 CC(=CC(=O)NC1COC1)c2ccccc2 527a_100016991112_100000743005 [0,1,0,1,0,0|2,0,0]=4 11896 B17R2.45649 CC(=CC(=O)NC1CSC1)c2ccccc2 11a_100016994217_100000743005 [0,1,0,1,0,0|2,0,0]=4 11897 B17R2.45649 CC(=CC(=O)NC1CSC1)c2ccccc2 1626a_100016994217_100000743005 [0,1,0,1,0,0|2,0,0]=4 11898 B17R2.45649 CC(=CC(=O)NC1CSC1)c2ccccc2 240690a_100016994217_100000743005 [0,1,0,1,0,0|2,0,0]=4 11899 B17R2.45649 CC(=CC(=O)NC1CSC1)c2ccccc2 527a_100016994217_100000743005 [0,1,0,1,0,0|2,0,0]=4 11900 B17R2.45649 O=C(CC(=O)c1ccccc1)CC2CCC2 1458a_100000763092_100000211460 [0,1,0,1,0,0|1,0,1]=4 11901 B17R2.45679 CC(=CC(=O)CCC1CC1)c2ccccc2 1458a_100000743005_100000694398 [0,1,0,1,0,0|1,0,0]=3 11902 B17R2.45679 CC(=CC(=O)CCC1CO1)c2ccccc2 1458a_100000743005_100000732470 [0,1,0,1,0,0|2,0,0]=4 11903 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 11a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 11904 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 1626a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 11905 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 240690a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 11906 B17R2.45679 CC(=CC(=O)NCC1CC1)c2ccccc2 527a_100000735609_100000743005 [0,1,0,1,0,0|1,0,0]=3 11907 B17R2.45679 CC(=CC(=O)NNC1CC1)c2ccccc2 22a_100000701032_100000743005 [0,1,0,1,0,0|2,0,0]=4 11908 B17R2.45679 O=C(CCC1CC1)CC(=O)c2ccccc2 1458a_100000756386_100000211460 [0,1,0,1,0,0|1,0,1]=4 11909 B17R2.202 Cc1ccc(cc1)C=CC(=O)C2CCCC2 1458a_100000716854_100000179811 [0,1,0,1,0,0|1,0,0]=3 11910 B17R2.202 Cc1ccc(cc1)C=CC(=O)C2CCOC2 1458a_100000716854_100000690089 [0,1,0,1,0,0|2,0,0]=4 11911 B17R2.202 Cc1ccc(cc1)C=CC(=O)N2CCCC2 240690a_100000188435_100000716854 [0,1,0,1,0,0|1,0,0]=3 11912 B17R2.202 Cc1ccc(cc1)C=CC(=O)N2CCSC2 11a_100011215254_100000716854 [0,1,0,1,0,0|2,0,0]=4 11913 B17R2.202 Cc1ccc(cc1)C=CC(=O)N2CCSC2 240690a_100011215254_100000716854 [0,1,0,1,0,0|2,0,0]=4 11914 B17R2.202 O=C(C=Cc1ccc(cc1)Br)C2CCCC2 1458a_100016267368_100000179811 [0,1,0,1,0,0|1,0,0]=3 11915 B17R2.202 O=C(C=Cc1ccc(cc1)Br)C2CCOC2 1458a_100016267368_100000690089 [0,1,0,1,0,0|2,0,0]=4 11916 B17R2.202 O=C(C=Cc1ccc(cc1)Br)N2CCSC2 11a_100011215254_100016267368 [0,1,0,1,0,0|2,0,0]=4 11917 B17R2.202 O=C(C=Cc1ccc(cc1)Cl)C2CCCC2 1458a_100000184863_100000179811 [0,1,0,1,0,0|1,0,0]=3 11918 B17R2.202 O=C(C=Cc1ccc(cc1)Cl)C2CCOC2 1458a_100000184863_100000690089 [0,1,0,1,0,0|2,0,0]=4 11919 B17R2.202 O=C(C=Cc1ccc(cc1)Cl)N2CCCC2 240690a_100000188435_100000184863 [0,1,0,1,0,0|1,0,0]=3 11920 B17R2.202 O=C(C=Cc1ccc(cc1)Cl)N2CCSC2 11a_100011215254_100000184863 [0,1,0,1,0,0|2,0,0]=4 11921 B17R2.202 O=C(C=Cc1ccc(cc1)Cl)N2CCSC2 240690a_100011215254_100000184863 [0,1,0,1,0,0|2,0,0]=4 11922 B17R2.202 O=C(C=Cc1ccc(cc1)F)C2CCCC2 1458a_100000182136_100000179811 [0,1,0,1,0,0|1,0,0]=3 11923 B17R2.202 O=C(C=Cc1ccc(cc1)F)C2CCOC2 1458a_100000182136_100000690089 [0,1,0,1,0,0|2,0,0]=4 11924 B17R2.202 O=C(C=Cc1ccc(cc1)F)N2CCCC2 240690a_100000188435_100000182136 [0,1,0,1,0,0|1,0,0]=3 11925 B17R2.202 O=C(C=Cc1ccc(cc1)F)N2CCSC2 11a_100011215254_100000182136 [0,1,0,1,0,0|2,0,0]=4 11926 B17R2.202 O=C(C=Cc1ccc(cc1)F)N2CCSC2 240690a_100011215254_100000182136 [0,1,0,1,0,0|2,0,0]=4 11927 B17R2.202 O=C(C=Cc1ccc(cc1)I)C2CCCC2 1458a_100102526154_100000179811 [0,1,0,1,0,0|1,0,0]=3 11928 B17R2.202 O=C(C=Cc1ccc(cc1)I)C2CCOC2 1458a_100102526154_100000690089 [0,1,0,1,0,0|2,0,0]=4 11929 B17R2.202 O=C(C=Cc1ccc(cc1)I)N2CCCC2 240690a_100000188435_100102526154 [0,1,0,1,0,0|1,0,0]=3 11930 B17R2.202 O=C(C=Cc1ccc(cc1)I)N2CCSC2 11a_100011215254_100102526154 [0,1,0,1,0,0|2,0,0]=4 11931 B17R2.202 O=C(C=Cc1ccc(cc1)I)N2CCSC2 240690a_100011215254_100102526154 [0,1,0,1,0,0|2,0,0]=4 11932 B17R2.202 O=C(C=Cc1ccc(cc1)O)N2CCCC2 240690a_100000188435_100016269017 [0,1,0,1,0,0|1,0,0]=3 11933 B17R2.202 O=C(C=Cc1ccc(cc1)O)N2CCSC2 240690a_100011215254_100016269017 [0,1,0,1,0,0|2,0,0]=4 11934 B17R2.202 O=C(C=Cc1ccc(cn1)F)C2CCCC2 1458a_100020630499_100000179811 [0,1,0,1,0,0|2,0,0]=4 11935 B17R2.202 O=C(C=Cc1ccc(cn1)F)N2CCCC2 240690a_100000188435_100020630499 [0,1,0,1,0,0|2,0,0]=4 11936 B17R2.202 O=C(C=Cc1ccc(nc1)Br)C2CCCC2 1458a_100020588214_100000179811 [0,1,0,1,0,0|2,0,0]=4 11937 B17R2.202 O=C(C=Cc1ccc(nc1)Br)N2CCCC2 240690a_100000188435_100020588214 [0,1,0,1,0,0|2,0,0]=4 11938 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)Br 11a_100000755817_100016267368 [0,1,0,1,0,0|1,0,0]=3 11939 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)Cl 11a_100000755817_100000184863 [0,1,0,1,0,0|1,0,0]=3 11940 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)Cl 240690a_100000755817_100000184863 [0,1,0,1,0,0|1,0,0]=3 11941 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)F 11a_100000755817_100000182136 [0,1,0,1,0,0|1,0,0]=3 11942 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)F 240690a_100000755817_100000182136 [0,1,0,1,0,0|1,0,0]=3 11943 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)I 11a_100000755817_100102526154 [0,1,0,1,0,0|1,0,0]=3 11944 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)I 240690a_100000755817_100102526154 [0,1,0,1,0,0|1,0,0]=3 11945 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cc2)O 240690a_100000755817_100016269017 [0,1,0,1,0,0|1,0,0]=3 11946 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cn2)F 11a_100000755817_100020630499 [0,1,0,1,0,0|2,0,0]=4 11947 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(cn2)F 240690a_100000755817_100020630499 [0,1,0,1,0,0|2,0,0]=4 11948 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(nc2)Br 11a_100000755817_100020588214 [0,1,0,1,0,0|2,0,0]=4 11949 B17R2.416 CC1CCN1C(=O)C=Cc2ccc(nc2)Br 240690a_100000755817_100020588214 [0,1,0,1,0,0|2,0,0]=4 11950 B17R2.416 Cc1ccc(cc1)C=CC(=O)N2CCC2C 11a_100000755817_100000716854 [0,1,0,1,0,0|1,0,0]=3 11951 B17R2.416 Cc1ccc(cc1)C=CC(=O)N2CCC2C 240690a_100000755817_100000716854 [0,1,0,1,0,0|1,0,0]=3 11952 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000716854 [0,1,0,1,0,0|2,0,0]=4 11953 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100000716854 [0,1,0,1,0,0|2,0,0]=4 11954 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100000716854 [0,1,0,1,0,0|2,0,0]=4 11955 B17R2.419 Cc1ccc(cc1)C=CC(=O)N[C@@H]2C[C@H]2F 240690a_100025746932_100000716854 [0,1,0,1,0,0|2,0,0]=4 11956 B17R2.419 O=C(C=Cc1ccc(cc1)Br)N[C@@H]2C[C@H]2F 11a_100025746932_100016267368 [0,1,0,1,0,0|2,0,0]=4 11957 B17R2.419 O=C(C=Cc1ccc(cc1)Br)N[C@@H]2C[C@H]2F 1626a_100025746932_100016267368 [0,1,0,1,0,0|2,0,0]=4 11958 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000184863 [0,1,0,1,0,0|2,0,0]=4 11959 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@H]2F 11a_100025746932_100000184863 [0,1,0,1,0,0|2,0,0]=4 11960 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@H]2F 1626a_100025746932_100000184863 [0,1,0,1,0,0|2,0,0]=4 11961 B17R2.419 O=C(C=Cc1ccc(cc1)Cl)N[C@@H]2C[C@H]2F 240690a_100025746932_100000184863 [0,1,0,1,0,0|2,0,0]=4 11962 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000182136 [0,1,0,1,0,0|2,0,0]=4 11963 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@H]2F 11a_100025746932_100000182136 [0,1,0,1,0,0|2,0,0]=4 11964 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@H]2F 1626a_100025746932_100000182136 [0,1,0,1,0,0|2,0,0]=4 11965 B17R2.419 O=C(C=Cc1ccc(cc1)F)N[C@@H]2C[C@H]2F 240690a_100025746932_100000182136 [0,1,0,1,0,0|2,0,0]=4 11966 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@@H]2F 240690a_100015190264_100102526154 [0,1,0,1,0,0|2,0,0]=4 11967 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@H]2F 11a_100025746932_100102526154 [0,1,0,1,0,0|2,0,0]=4 11968 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@H]2F 1626a_100025746932_100102526154 [0,1,0,1,0,0|2,0,0]=4 11969 B17R2.419 O=C(C=Cc1ccc(cc1)I)N[C@@H]2C[C@H]2F 240690a_100025746932_100102526154 [0,1,0,1,0,0|2,0,0]=4 11970 B17R2.419 O=C(C=Cc1ccc(cc1)O)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016269017 [0,1,0,1,0,0|2,0,0]=4 11971 B17R2.419 O=C(C=Cc1ccc(cc1)O)N[C@@H]2C[C@H]2F 240690a_100025746932_100016269017 [0,1,0,1,0,0|2,0,0]=4 11972 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210210 [0,1,0,1,0,0|2,0,0]=4 11973 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210211 [0,1,0,1,0,0|2,0,0]=4 11974 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210210 [0,1,0,1,0,0|2,0,0]=4 11975 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210211 [0,1,0,1,0,0|2,0,0]=4 11976 B17R2.2015 CCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210210 [0,1,0,1,0,0|2,0,0]=4 11977 B17R2.2015 CCCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210210 [0,1,0,1,0,0|2,0,0]=4 11978 B17R2.2015 CCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210211 [0,1,0,1,0,0|2,0,0]=4 11979 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210210 [0,1,0,1,0,0|1,0,0]=3 11980 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210211 [0,1,0,1,0,0|1,0,0]=3 11981 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210210 [0,1,0,1,0,0|1,0,0]=3 11982 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210211 [0,1,0,1,0,0|1,0,0]=3 11983 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210210 [0,1,0,1,0,0|1,0,0]=3 11984 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210211 [0,1,0,1,0,0|1,0,0]=3 11985 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210210 [0,1,0,1,0,0|2,0,0]=4 11986 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210211 [0,1,0,1,0,0|2,0,0]=4 11987 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210210 [0,1,0,1,0,0|2,0,0]=4 11988 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210211 [0,1,0,1,0,0|2,0,0]=4 11989 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210210 [0,1,0,1,0,0|2,0,0]=4 11990 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210211 [0,1,0,1,0,0|2,0,0]=4 11991 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210210 [0,1,0,1,0,0|2,0,0]=4 11992 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210211 [0,1,0,1,0,0|2,0,0]=4 11993 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210210 [0,1,0,1,0,0|2,0,0]=4 11994 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210211 [0,1,0,1,0,0|2,0,0]=4 11995 B17R2.2015 CCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210210 [0,1,0,1,0,0|2,0,0]=4 11996 B17R2.2015 CCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210211 [0,1,0,1,0,0|2,0,0]=4 11997 B17R2.2015 CCCCSc1ccc2ccc(cc2c1)N 62a_100000210211_100010090036 [0,1,0,1,0,0|1,1,0]=4 11998 B17R2.2015 CCCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210210 [0,1,0,1,0,0|1,1,0]=4 11999 B17R2.2015 CCCCSc1ccc2ccc(cc2c1)O 62a_100000210211_100009816537 [0,1,0,1,0,0|1,1,0]=4 12000 B17R2.2015 CCCCSc1ccc2ccc(cc2n1)O 62a_100000210211_100000079174 [0,1,0,1,0,0|1,1,0]=4 12001 B17R2.2015 COCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011201679 [0,1,0,1,0,0|2,0,0]=4 12002 B17R2.2015 COCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000233755 [0,1,0,1,0,0|2,0,0]=4 12003 B17R2.2015 COCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100011201679 [0,1,0,1,0,0|2,0,0]=4 12004 B17R2.2015 COCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000233755 [0,1,0,1,0,0|2,0,0]=4 12005 B17R2.2015 COCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100011201679 [0,1,0,1,0,0|2,0,0]=4 12006 B17R2.2015 COCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000233755 [0,1,0,1,0,0|2,0,0]=4 12007 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000212216 [0,1,0,1,0,0|2,0,0]=4 12008 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000212216 [0,1,0,1,0,0|2,0,0]=4 12009 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000212216 [0,1,0,1,0,0|2,0,0]=4 12010 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000212216 [0,1,0,1,0,0|2,0,0]=4 12011 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000212216 [0,1,0,1,0,0|2,0,0]=4 12012 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000212216 [0,1,0,1,0,0|2,0,0]=4 12013 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCF 34a_100000091598_100011934791 [0,1,0,1,0,0|2,0,0]=4 12014 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCF 7a_100000091598_100011934791 [0,1,0,1,0,0|2,0,0]=4 12015 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCO 34a_100000091598_100000230001 [0,1,0,1,0,0|2,0,0]=4 12016 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCO 7a_100000091598_100011215043 [0,1,0,1,0,0|2,0,0]=4 12017 B17R2.2015 FCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011934791 [0,1,0,1,0,0|2,0,0]=4 12018 B17R2.2015 FCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011934791 [0,1,0,1,0,0|2,0,0]=4 12019 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCF 34a_100015378740_100011934791 [0,1,0,1,0,0|2,0,0]=4 12020 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCF 7a_100015378740_100011934791 [0,1,0,1,0,0|2,0,0]=4 12021 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCO 34a_100015378740_100000230001 [0,1,0,1,0,0|2,0,0]=4 12022 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCO 7a_100015378740_100011215043 [0,1,0,1,0,0|2,0,0]=4 12023 B17R2.2015 OCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000230001 [0,1,0,1,0,0|2,0,0]=4 12024 B17R2.2015 OCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011215043 [0,1,0,1,0,0|2,0,0]=4 12025 B17R2.56444 Cc1ccc(cc1)C=CC(=O)CCC2CC2 1458a_100000716854_100000694398 [0,1,0,1,0,0|1,0,0]=3 12026 B17R2.56444 Cc1ccc(cc1)C=CC(=O)CCC2CO2 1458a_100000716854_100000732470 [0,1,0,1,0,0|2,0,0]=4 12027 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NCC2CC2 11a_100000735609_100000716854 [0,1,0,1,0,0|1,0,0]=3 12028 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NCC2CC2 1626a_100000735609_100000716854 [0,1,0,1,0,0|1,0,0]=3 12029 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NCC2CC2 240690a_100000735609_100000716854 [0,1,0,1,0,0|1,0,0]=3 12030 B17R2.56444 Cc1ccc(cc1)C=CC(=O)NNC2CC2 22a_100000701032_100000716854 [0,1,0,1,0,0|2,0,0]=4 12031 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)CCC2CC2 1458a_100016267368_100000694398 [0,1,0,1,0,0|1,0,0]=3 12032 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)CCC2CO2 1458a_100016267368_100000732470 [0,1,0,1,0,0|2,0,0]=4 12033 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)NCC2CC2 11a_100000735609_100016267368 [0,1,0,1,0,0|1,0,0]=3 12034 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)NCC2CC2 1626a_100000735609_100016267368 [0,1,0,1,0,0|1,0,0]=3 12035 B17R2.56444 O=C(C=Cc1ccc(cc1)Br)NNC2CC2 22a_100000701032_100016267368 [0,1,0,1,0,0|2,0,0]=4 12036 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)CCC2CC2 1458a_100000184863_100000694398 [0,1,0,1,0,0|1,0,0]=3 12037 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)CCC2CO2 1458a_100000184863_100000732470 [0,1,0,1,0,0|2,0,0]=4 12038 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NCC2CC2 11a_100000735609_100000184863 [0,1,0,1,0,0|1,0,0]=3 12039 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NCC2CC2 1626a_100000735609_100000184863 [0,1,0,1,0,0|1,0,0]=3 12040 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NCC2CC2 240690a_100000735609_100000184863 [0,1,0,1,0,0|1,0,0]=3 12041 B17R2.56444 O=C(C=Cc1ccc(cc1)Cl)NNC2CC2 22a_100000701032_100000184863 [0,1,0,1,0,0|2,0,0]=4 12042 B17R2.56444 O=C(C=Cc1ccc(cc1)F)CCC2CC2 1458a_100000182136_100000694398 [0,1,0,1,0,0|1,0,0]=3 12043 B17R2.56444 O=C(C=Cc1ccc(cc1)F)CCC2CO2 1458a_100000182136_100000732470 [0,1,0,1,0,0|2,0,0]=4 12044 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NCC2CC2 11a_100000735609_100000182136 [0,1,0,1,0,0|1,0,0]=3 12045 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NCC2CC2 1626a_100000735609_100000182136 [0,1,0,1,0,0|1,0,0]=3 12046 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NCC2CC2 240690a_100000735609_100000182136 [0,1,0,1,0,0|1,0,0]=3 12047 B17R2.56444 O=C(C=Cc1ccc(cc1)F)NNC2CC2 22a_100000701032_100000182136 [0,1,0,1,0,0|2,0,0]=4 12048 B17R2.56444 O=C(C=Cc1ccc(cc1)I)CCC2CC2 1458a_100102526154_100000694398 [0,1,0,1,0,0|1,0,0]=3 12049 B17R2.56444 O=C(C=Cc1ccc(cc1)I)CCC2CO2 1458a_100102526154_100000732470 [0,1,0,1,0,0|2,0,0]=4 12050 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NCC2CC2 11a_100000735609_100102526154 [0,1,0,1,0,0|1,0,0]=3 12051 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NCC2CC2 1626a_100000735609_100102526154 [0,1,0,1,0,0|1,0,0]=3 12052 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NCC2CC2 240690a_100000735609_100102526154 [0,1,0,1,0,0|1,0,0]=3 12053 B17R2.56444 O=C(C=Cc1ccc(cc1)I)NNC2CC2 22a_100000701032_100102526154 [0,1,0,1,0,0|2,0,0]=4 12054 B17R2.56444 O=C(C=Cc1ccc(cc1)O)NCC2CC2 240690a_100000735609_100016269017 [0,1,0,1,0,0|1,0,0]=3 12055 B17R2.56444 O=C(C=Cc1ccc(cc1)O)NNC2CC2 22a_100000701032_100016269017 [0,1,0,1,0,0|2,0,0]=4 12056 B17R2.56444 O=C(C=Cc1ccc(cn1)F)CCC2CC2 1458a_100020630499_100000694398 [0,1,0,1,0,0|2,0,0]=4 12057 B17R2.56444 O=C(C=Cc1ccc(cn1)F)NCC2CC2 11a_100000735609_100020630499 [0,1,0,1,0,0|2,0,0]=4 12058 B17R2.56444 O=C(C=Cc1ccc(cn1)F)NCC2CC2 1626a_100000735609_100020630499 [0,1,0,1,0,0|2,0,0]=4 12059 B17R2.56444 O=C(C=Cc1ccc(cn1)F)NCC2CC2 240690a_100000735609_100020630499 [0,1,0,1,0,0|2,0,0]=4 12060 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)CCC2CC2 1458a_100020588214_100000694398 [0,1,0,1,0,0|2,0,0]=4 12061 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)NCC2CC2 11a_100000735609_100020588214 [0,1,0,1,0,0|2,0,0]=4 12062 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)NCC2CC2 1626a_100000735609_100020588214 [0,1,0,1,0,0|2,0,0]=4 12063 B17R2.56444 O=C(C=Cc1ccc(nc1)Br)NCC2CC2 240690a_100000735609_100020588214 [0,1,0,1,0,0|2,0,0]=4 12064 B17R2.56751 Cc1ccc(cc1)C=CC(=O)CC2CCC2 1458a_100000716854_100000763275 [0,1,0,1,0,0|1,0,0]=3 12065 B17R2.56751 Cc1ccc(cc1)C=CC(=O)CC2CCO2 1458a_100000716854_100000103362 [0,1,0,1,0,0|2,0,0]=4 12066 B17R2.56751 Cc1ccc(cc1)C=CC(=O)CC2COC2 1458a_100000716854_100010264016 [0,1,0,1,0,0|2,0,0]=4 12067 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CCC2 11a_100000749019_100000716854 [0,1,0,1,0,0|1,0,0]=3 12068 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CCC2 1626a_100000749019_100000716854 [0,1,0,1,0,0|1,0,0]=3 12069 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CCC2 240690a_100000749019_100000716854 [0,1,0,1,0,0|1,0,0]=3 12070 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2COC2 11a_100016991112_100000716854 [0,1,0,1,0,0|2,0,0]=4 12071 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2COC2 1626a_100016991112_100000716854 [0,1,0,1,0,0|2,0,0]=4 12072 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2COC2 240690a_100016991112_100000716854 [0,1,0,1,0,0|2,0,0]=4 12073 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CSC2 11a_100016994217_100000716854 [0,1,0,1,0,0|2,0,0]=4 12074 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CSC2 1626a_100016994217_100000716854 [0,1,0,1,0,0|2,0,0]=4 12075 B17R2.56751 Cc1ccc(cc1)C=CC(=O)NC2CSC2 240690a_100016994217_100000716854 [0,1,0,1,0,0|2,0,0]=4 12076 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)CC2CCC2 1458a_100016267368_100000763275 [0,1,0,1,0,0|1,0,0]=3 12077 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)CC2CCO2 1458a_100016267368_100000103362 [0,1,0,1,0,0|2,0,0]=4 12078 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)CC2COC2 1458a_100016267368_100010264016 [0,1,0,1,0,0|2,0,0]=4 12079 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CCC2 11a_100000749019_100016267368 [0,1,0,1,0,0|1,0,0]=3 12080 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CCC2 1626a_100000749019_100016267368 [0,1,0,1,0,0|1,0,0]=3 12081 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2COC2 11a_100016991112_100016267368 [0,1,0,1,0,0|2,0,0]=4 12082 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2COC2 1626a_100016991112_100016267368 [0,1,0,1,0,0|2,0,0]=4 12083 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CSC2 11a_100016994217_100016267368 [0,1,0,1,0,0|2,0,0]=4 12084 B17R2.56751 O=C(C=Cc1ccc(cc1)Br)NC2CSC2 1626a_100016994217_100016267368 [0,1,0,1,0,0|2,0,0]=4 12085 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)CC2CCC2 1458a_100000184863_100000763275 [0,1,0,1,0,0|1,0,0]=3 12086 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)CC2CCO2 1458a_100000184863_100000103362 [0,1,0,1,0,0|2,0,0]=4 12087 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)CC2COC2 1458a_100000184863_100010264016 [0,1,0,1,0,0|2,0,0]=4 12088 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CCC2 11a_100000749019_100000184863 [0,1,0,1,0,0|1,0,0]=3 12089 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CCC2 1626a_100000749019_100000184863 [0,1,0,1,0,0|1,0,0]=3 12090 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CCC2 240690a_100000749019_100000184863 [0,1,0,1,0,0|1,0,0]=3 12091 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2COC2 11a_100016991112_100000184863 [0,1,0,1,0,0|2,0,0]=4 12092 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2COC2 1626a_100016991112_100000184863 [0,1,0,1,0,0|2,0,0]=4 12093 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2COC2 240690a_100016991112_100000184863 [0,1,0,1,0,0|2,0,0]=4 12094 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CSC2 11a_100016994217_100000184863 [0,1,0,1,0,0|2,0,0]=4 12095 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CSC2 1626a_100016994217_100000184863 [0,1,0,1,0,0|2,0,0]=4 12096 B17R2.56751 O=C(C=Cc1ccc(cc1)Cl)NC2CSC2 240690a_100016994217_100000184863 [0,1,0,1,0,0|2,0,0]=4 12097 B17R2.56751 O=C(C=Cc1ccc(cc1)F)CC2CCC2 1458a_100000182136_100000763275 [0,1,0,1,0,0|1,0,0]=3 12098 B17R2.56751 O=C(C=Cc1ccc(cc1)F)CC2CCO2 1458a_100000182136_100000103362 [0,1,0,1,0,0|2,0,0]=4 12099 B17R2.56751 O=C(C=Cc1ccc(cc1)F)CC2COC2 1458a_100000182136_100010264016 [0,1,0,1,0,0|2,0,0]=4 12100 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CCC2 11a_100000749019_100000182136 [0,1,0,1,0,0|1,0,0]=3 12101 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CCC2 1626a_100000749019_100000182136 [0,1,0,1,0,0|1,0,0]=3 12102 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CCC2 240690a_100000749019_100000182136 [0,1,0,1,0,0|1,0,0]=3 12103 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2COC2 11a_100016991112_100000182136 [0,1,0,1,0,0|2,0,0]=4 12104 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2COC2 1626a_100016991112_100000182136 [0,1,0,1,0,0|2,0,0]=4 12105 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2COC2 240690a_100016991112_100000182136 [0,1,0,1,0,0|2,0,0]=4 12106 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CSC2 11a_100016994217_100000182136 [0,1,0,1,0,0|2,0,0]=4 12107 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CSC2 1626a_100016994217_100000182136 [0,1,0,1,0,0|2,0,0]=4 12108 B17R2.56751 O=C(C=Cc1ccc(cc1)F)NC2CSC2 240690a_100016994217_100000182136 [0,1,0,1,0,0|2,0,0]=4 12109 B17R2.56751 O=C(C=Cc1ccc(cc1)I)CC2CCC2 1458a_100102526154_100000763275 [0,1,0,1,0,0|1,0,0]=3 12110 B17R2.56751 O=C(C=Cc1ccc(cc1)I)CC2CCO2 1458a_100102526154_100000103362 [0,1,0,1,0,0|2,0,0]=4 12111 B17R2.56751 O=C(C=Cc1ccc(cc1)I)CC2COC2 1458a_100102526154_100010264016 [0,1,0,1,0,0|2,0,0]=4 12112 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2CCC2 11a_100000749019_100102526154 [0,1,0,1,0,0|1,0,0]=3 12113 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2CCC2 1626a_100000749019_100102526154 [0,1,0,1,0,0|1,0,0]=3 12114 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2CCC2 240690a_100000749019_100102526154 [0,1,0,1,0,0|1,0,0]=3 12115 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2COC2 11a_100016991112_100102526154 [0,1,0,1,0,0|2,0,0]=4 12116 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2COC2 1626a_100016991112_100102526154 [0,1,0,1,0,0|2,0,0]=4 12117 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2COC2 240690a_100016991112_100102526154 [0,1,0,1,0,0|2,0,0]=4 12118 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2CSC2 11a_100016994217_100102526154 [0,1,0,1,0,0|2,0,0]=4 12119 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2CSC2 1626a_100016994217_100102526154 [0,1,0,1,0,0|2,0,0]=4 12120 B17R2.56751 O=C(C=Cc1ccc(cc1)I)NC2CSC2 240690a_100016994217_100102526154 [0,1,0,1,0,0|2,0,0]=4 12121 B17R2.56751 O=C(C=Cc1ccc(cc1)O)NC2CCC2 240690a_100000749019_100016269017 [0,1,0,1,0,0|1,0,0]=3 12122 B17R2.56751 O=C(C=Cc1ccc(cc1)O)NC2COC2 240690a_100016991112_100016269017 [0,1,0,1,0,0|2,0,0]=4 12123 B17R2.56751 O=C(C=Cc1ccc(cc1)O)NC2CSC2 240690a_100016994217_100016269017 [0,1,0,1,0,0|2,0,0]=4 12124 B17R2.56751 O=C(C=Cc1ccc(cn1)F)CC2CCC2 1458a_100020630499_100000763275 [0,1,0,1,0,0|2,0,0]=4 12125 B17R2.56751 O=C(C=Cc1ccc(cn1)F)NC2CCC2 11a_100000749019_100020630499 [0,1,0,1,0,0|2,0,0]=4 12126 B17R2.56751 O=C(C=Cc1ccc(cn1)F)NC2CCC2 1626a_100000749019_100020630499 [0,1,0,1,0,0|2,0,0]=4 12127 B17R2.56751 O=C(C=Cc1ccc(cn1)F)NC2CCC2 240690a_100000749019_100020630499 [0,1,0,1,0,0|2,0,0]=4 12128 B17R2.56751 O=C(C=Cc1ccc(nc1)Br)CC2CCC2 1458a_100020588214_100000763275 [0,1,0,1,0,0|2,0,0]=4 12129 B17R2.56751 O=C(C=Cc1ccc(nc1)Br)NC2CCC2 11a_100000749019_100020588214 [0,1,0,1,0,0|2,0,0]=4 12130 B17R2.56751 O=C(C=Cc1ccc(nc1)Br)NC2CCC2 1626a_100000749019_100020588214 [0,1,0,1,0,0|2,0,0]=4 12131 B17R2.56751 O=C(C=Cc1ccc(nc1)Br)NC2CCC2 240690a_100000749019_100020588214 [0,1,0,1,0,0|2,0,0]=4 12132 B17R2.2023 CCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210210 [0,1,0,1,0,0|2,0,0]=4 12133 B17R2.2023 CCCCNc1ccc2cccc(c2n1)C 27a_100000102301_100012002297 [0,1,0,1,0,0|2,0,0]=4 12134 B17R2.2023 CCCCNc1ccc2cccc(c2n1)O 27a_100000102301_100010153751 [0,1,0,1,0,0|2,0,0]=4 12135 B17R2.2023 CCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210210 [0,1,0,1,0,0|1,0,0]=3 12136 B17R2.2023 CCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210211 [0,1,0,1,0,0|1,0,0]=3 12137 B17R2.2023 CCCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210210 [0,1,0,1,0,0|1,0,0]=3 12138 B17R2.2023 CCCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210211 [0,1,0,1,0,0|1,0,0]=3 12139 B17R2.2023 CCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210210 [0,1,0,1,0,0|1,0,0]=3 12140 B17R2.2023 CCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210211 [0,1,0,1,0,0|1,0,0]=3 12141 B17R2.2023 CCCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210210 [0,1,0,1,0,0|1,0,0]=3 12142 B17R2.2023 CCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210211 [0,1,0,1,0,0|1,0,0]=3 12143 B17R2.2023 CCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210210 [0,1,0,1,0,0|2,0,0]=4 12144 B17R2.2023 CCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210211 [0,1,0,1,0,0|2,0,0]=4 12145 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210210 [0,1,0,1,0,0|2,0,0]=4 12146 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210211 [0,1,0,1,0,0|2,0,0]=4 12147 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210210 [0,1,0,1,0,0|2,0,0]=4 12148 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210211 [0,1,0,1,0,0|2,0,0]=4 12149 B17R2.2023 CCCCSc1ccc2cccc(c2c1)C 62a_100000210211_100010089936 [0,1,0,1,0,0|1,1,0]=4 12150 B17R2.2023 CCCCSc1ccc2cccc(c2c1)N 62a_100000210211_100010090012 [0,1,0,1,0,0|1,1,0]=4 12151 B17R2.2023 CCCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210210 [0,1,0,1,0,0|1,1,0]=4 12152 B17R2.2023 CCCCSc1ccc2cccc(c2c1)O 62a_100000210211_100010089991 [0,1,0,1,0,0|1,1,0]=4 12153 B17R2.2023 CCCCSc1ccc2cccc(c2n1)C 62a_100000210211_100012002297 [0,1,0,1,0,0|1,1,0]=4 12154 B17R2.2023 CCCCSc1ccc2cccc(c2n1)F 62a_100000210211_100012017632 [0,1,0,1,0,0|1,1,0]=4 12155 B17R2.2023 CCCCSc1ccc2cccc(c2n1)O 62a_100000210211_100000013812 [0,1,0,1,0,0|1,1,0]=4 12156 B17R2.2023 COCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011201679 [0,1,0,1,0,0|2,0,0]=4 12157 B17R2.2023 COCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000233755 [0,1,0,1,0,0|2,0,0]=4 12158 B17R2.2023 COCCOc1ccc2cccc(c2c1)C 34a_200000091600_100011201679 [0,1,0,1,0,0|2,0,0]=4 12159 B17R2.2023 COCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000233755 [0,1,0,1,0,0|2,0,0]=4 12160 B17R2.2023 COCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011201679 [0,1,0,1,0,0|2,0,0]=4 12161 B17R2.2023 COCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000233755 [0,1,0,1,0,0|2,0,0]=4 12162 B17R2.2023 COCCOc1ccc2cccc(c2c1)N 34a_100000034012_100011201679 [0,1,0,1,0,0|2,0,0]=4 12163 B17R2.2023 COCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000233755 [0,1,0,1,0,0|2,0,0]=4 12164 B17R2.2023 CSCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000212216 [0,1,0,1,0,0|2,0,0]=4 12165 B17R2.2023 CSCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000212216 [0,1,0,1,0,0|2,0,0]=4 12166 B17R2.2023 CSCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000212216 [0,1,0,1,0,0|2,0,0]=4 12167 B17R2.2023 CSCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000212216 [0,1,0,1,0,0|2,0,0]=4 12168 B17R2.2023 CSCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000212216 [0,1,0,1,0,0|2,0,0]=4 12169 B17R2.2023 CSCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000212216 [0,1,0,1,0,0|2,0,0]=4 12170 B17R2.2023 CSCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000212216 [0,1,0,1,0,0|2,0,0]=4 12171 B17R2.2023 CSCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000212216 [0,1,0,1,0,0|2,0,0]=4 12172 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCF 34a_200000091600_100011934791 [0,1,0,1,0,0|2,0,0]=4 12173 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCF 7a_200000091600_100011934791 [0,1,0,1,0,0|2,0,0]=4 12174 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCO 34a_200000091600_100000230001 [0,1,0,1,0,0|2,0,0]=4 12175 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCO 7a_200000091600_100011215043 [0,1,0,1,0,0|2,0,0]=4 12176 B17R2.2023 FCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011934791 [0,1,0,1,0,0|2,0,0]=4 12177 B17R2.2023 FCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011934791 [0,1,0,1,0,0|2,0,0]=4 12178 B17R2.2023 FCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011934791 [0,1,0,1,0,0|2,0,0]=4 12179 B17R2.2023 FCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011934791 [0,1,0,1,0,0|2,0,0]=4 12180 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCF 34a_100000034012_100011934791 [0,1,0,1,0,0|2,0,0]=4 12181 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCF 7a_100000034012_100011934791 [0,1,0,1,0,0|2,0,0]=4 12182 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCO 34a_100000034012_100000230001 [0,1,0,1,0,0|2,0,0]=4 12183 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCO 7a_100000034012_100011215043 [0,1,0,1,0,0|2,0,0]=4 12184 B17R2.2023 OCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000230001 [0,1,0,1,0,0|2,0,0]=4 12185 B17R2.2023 OCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011215043 [0,1,0,1,0,0|2,0,0]=4 12186 B17R2.2023 OCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000230001 [0,1,0,1,0,0|2,0,0]=4 12187 B17R2.2023 OCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011215043 [0,1,0,1,0,0|2,0,0]=4 12188 B17R2.5287 Cc1cccc(c1)C=CC(=O)C2CCCC2 1458a_100000690095_100000179811 [0,1,0,1,0,0|1,0,0]=3 12189 B17R2.5287 Cc1cccc(c1)C=CC(=O)C2CCOC2 1458a_100000690095_100000690089 [0,1,0,1,0,0|2,0,0]=4 12190 B17R2.5287 Cc1cccc(c1)C=CC(=O)N2CCCC2 240690a_100000188435_100000690095 [0,1,0,1,0,0|1,0,0]=3 12191 B17R2.5287 Cc1cccc(c1)C=CC(=O)N2CCSC2 11a_100011215254_100000690095 [0,1,0,1,0,0|2,0,0]=4 12192 B17R2.5287 Cc1cccc(c1)C=CC(=O)N2CCSC2 240690a_100011215254_100000690095 [0,1,0,1,0,0|2,0,0]=4 12193 B17R2.5287 O=C(C=Cc1cccc(c1)Br)C2CCCC2 1458a_100016258244_100000179811 [0,1,0,1,0,0|1,0,0]=3 12194 B17R2.5287 O=C(C=Cc1cccc(c1)Br)C2CCOC2 1458a_100016258244_100000690089 [0,1,0,1,0,0|2,0,0]=4 12195 B17R2.5287 O=C(C=Cc1cccc(c1)Br)N2CCCC2 240690a_100000188435_100016258244 [0,1,0,1,0,0|1,0,0]=3 12196 B17R2.5287 O=C(C=Cc1cccc(c1)Br)N2CCSC2 11a_100011215254_100016258244 [0,1,0,1,0,0|2,0,0]=4 12197 B17R2.5287 O=C(C=Cc1cccc(c1)Br)N2CCSC2 240690a_100011215254_100016258244 [0,1,0,1,0,0|2,0,0]=4 12198 B17R2.5287 O=C(C=Cc1cccc(c1)Cl)C2CCCC2 1458a_100000184502_100000179811 [0,1,0,1,0,0|1,0,0]=3 12199 B17R2.5287 O=C(C=Cc1cccc(c1)Cl)C2CCOC2 1458a_100000184502_100000690089 [0,1,0,1,0,0|2,0,0]=4 12200 B17R2.5287 O=C(C=Cc1cccc(c1)Cl)N2CCCC2 240690a_100000188435_100000184502 [0,1,0,1,0,0|1,0,0]=3 12201 B17R2.5287 O=C(C=Cc1cccc(c1)Cl)N2CCSC2 11a_100011215254_100000184502 [0,1,0,1,0,0|2,0,0]=4 12202 B17R2.5287 O=C(C=Cc1cccc(c1)Cl)N2CCSC2 240690a_100011215254_100000184502 [0,1,0,1,0,0|2,0,0]=4 12203 B17R2.5287 O=C(C=Cc1cccc(c1)F)C2CCCC2 1458a_100000718793_100000179811 [0,1,0,1,0,0|1,0,0]=3 12204 B17R2.5287 O=C(C=Cc1cccc(c1)F)C2CCOC2 1458a_100000718793_100000690089 [0,1,0,1,0,0|2,0,0]=4 12205 B17R2.5287 O=C(C=Cc1cccc(c1)F)N2CCCC2 240690a_100000188435_100000718793 [0,1,0,1,0,0|1,0,0]=3 12206 B17R2.5287 O=C(C=Cc1cccc(c1)F)N2CCSC2 11a_100011215254_100000718793 [0,1,0,1,0,0|2,0,0]=4 12207 B17R2.5287 O=C(C=Cc1cccc(c1)F)N2CCSC2 240690a_100011215254_100000718793 [0,1,0,1,0,0|2,0,0]=4 12208 B17R2.5287 O=C(C=Cc1cccc(c1)I)C2CCCC2 1458a_100020647043_100000179811 [0,1,0,1,0,0|1,0,0]=3 12209 B17R2.5287 O=C(C=Cc1cccc(c1)I)C2CCOC2 1458a_100020647043_100000690089 [0,1,0,1,0,0|2,0,0]=4 12210 B17R2.5287 O=C(C=Cc1cccc(c1)I)N2CCCC2 240690a_100000188435_100020647043 [0,1,0,1,0,0|1,0,0]=3 12211 B17R2.5287 O=C(C=Cc1cccc(c1)I)N2CCSC2 11a_100011215254_100020647043 [0,1,0,1,0,0|2,0,0]=4 12212 B17R2.5287 O=C(C=Cc1cccc(c1)I)N2CCSC2 240690a_100011215254_100020647043 [0,1,0,1,0,0|2,0,0]=4 12213 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000690095 [0,1,0,1,0,0|2,0,0]=4 12214 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100000690095 [0,1,0,1,0,0|2,0,0]=4 12215 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100000690095 [0,1,0,1,0,0|2,0,0]=4 12216 B17R2.19594 Cc1cccc(c1)C=CC(=O)N[C@@H]2C[C@H]2F 240690a_100025746932_100000690095 [0,1,0,1,0,0|2,0,0]=4 12217 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016258244 [0,1,0,1,0,0|2,0,0]=4 12218 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@H]2F 11a_100025746932_100016258244 [0,1,0,1,0,0|2,0,0]=4 12219 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@H]2F 1626a_100025746932_100016258244 [0,1,0,1,0,0|2,0,0]=4 12220 B17R2.19594 O=C(C=Cc1cccc(c1)Br)N[C@@H]2C[C@H]2F 240690a_100025746932_100016258244 [0,1,0,1,0,0|2,0,0]=4 12221 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000184502 [0,1,0,1,0,0|2,0,0]=4 12222 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@H]2F 11a_100025746932_100000184502 [0,1,0,1,0,0|2,0,0]=4 12223 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@H]2F 1626a_100025746932_100000184502 [0,1,0,1,0,0|2,0,0]=4 12224 B17R2.19594 O=C(C=Cc1cccc(c1)Cl)N[C@@H]2C[C@H]2F 240690a_100025746932_100000184502 [0,1,0,1,0,0|2,0,0]=4 12225 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000718793 [0,1,0,1,0,0|2,0,0]=4 12226 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@H]2F 11a_100025746932_100000718793 [0,1,0,1,0,0|2,0,0]=4 12227 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@H]2F 1626a_100025746932_100000718793 [0,1,0,1,0,0|2,0,0]=4 12228 B17R2.19594 O=C(C=Cc1cccc(c1)F)N[C@@H]2C[C@H]2F 240690a_100025746932_100000718793 [0,1,0,1,0,0|2,0,0]=4 12229 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@@H]2F 240690a_100015190264_100020647043 [0,1,0,1,0,0|2,0,0]=4 12230 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@H]2F 11a_100025746932_100020647043 [0,1,0,1,0,0|2,0,0]=4 12231 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@H]2F 1626a_100025746932_100020647043 [0,1,0,1,0,0|2,0,0]=4 12232 B17R2.19594 O=C(C=Cc1cccc(c1)I)N[C@@H]2C[C@H]2F 240690a_100025746932_100020647043 [0,1,0,1,0,0|2,0,0]=4 12233 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)Br 11a_100000755817_100016258244 [0,1,0,1,0,0|1,0,0]=3 12234 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)Br 240690a_100000755817_100016258244 [0,1,0,1,0,0|1,0,0]=3 12235 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)Cl 11a_100000755817_100000184502 [0,1,0,1,0,0|1,0,0]=3 12236 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)Cl 240690a_100000755817_100000184502 [0,1,0,1,0,0|1,0,0]=3 12237 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)F 11a_100000755817_100000718793 [0,1,0,1,0,0|1,0,0]=3 12238 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)F 240690a_100000755817_100000718793 [0,1,0,1,0,0|1,0,0]=3 12239 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)I 11a_100000755817_100020647043 [0,1,0,1,0,0|1,0,0]=3 12240 B17R2.41776 CC1CCN1C(=O)C=Cc2cccc(c2)I 240690a_100000755817_100020647043 [0,1,0,1,0,0|1,0,0]=3 12241 B17R2.41776 Cc1cccc(c1)C=CC(=O)N2CCC2C 11a_100000755817_100000690095 [0,1,0,1,0,0|1,0,0]=3 12242 B17R2.41776 Cc1cccc(c1)C=CC(=O)N2CCC2C 240690a_100000755817_100000690095 [0,1,0,1,0,0|1,0,0]=3 12243 B17R2.73925 CCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210210 [0,1,0,1,0,0|2,0,0]=4 12244 B17R2.73925 CCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210211 [0,1,0,1,0,0|2,0,0]=4 12245 B17R2.73925 CCCCNc1ccc2cc(ccc2n1)C 27a_100000102301_100011865911 [0,1,0,1,0,0|2,0,0]=4 12246 B17R2.73925 CCCCNc1ccc2cc(ccc2n1)F 27a_100000102301_100011998705 [0,1,0,1,0,0|2,0,0]=4 12247 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210210 [0,1,0,1,0,0|1,0,0]=3 12248 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210211 [0,1,0,1,0,0|1,0,0]=3 12249 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210210 [0,1,0,1,0,0|1,0,0]=3 12250 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210211 [0,1,0,1,0,0|1,0,0]=3 12251 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210210 [0,1,0,1,0,0|1,0,0]=3 12252 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210211 [0,1,0,1,0,0|1,0,0]=3 12253 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210210 [0,1,0,1,0,0|1,0,0]=3 12254 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210211 [0,1,0,1,0,0|1,0,0]=3 12255 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)O 271570a_203496583355_200011205783 [0,1,0,1,0,0|1,0,0]=3 12256 B17R2.73925 CCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210210 [0,1,0,1,0,0|2,0,0]=4 12257 B17R2.73925 CCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210211 [0,1,0,1,0,0|2,0,0]=4 12258 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210210 [0,1,0,1,0,0|2,0,0]=4 12259 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210211 [0,1,0,1,0,0|2,0,0]=4 12260 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210210 [0,1,0,1,0,0|2,0,0]=4 12261 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210211 [0,1,0,1,0,0|2,0,0]=4 12262 B17R2.73925 CCCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210210 [0,1,0,1,0,0|2,0,0]=4 12263 B17R2.73925 CCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210211 [0,1,0,1,0,0|2,0,0]=4 12264 B17R2.73925 CCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210210 [0,1,0,1,0,0|2,0,0]=4 12265 B17R2.73925 CCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210211 [0,1,0,1,0,0|2,0,0]=4 12266 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)Br 62a_100000210211_100012344972 [0,1,0,1,0,0|1,1,0]=4 12267 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210210 [0,1,0,1,0,0|1,1,0]=4 12268 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)F 62a_100000210211_100009817052 [0,1,0,1,0,0|1,1,0]=4 12269 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210210 [0,1,0,1,0,0|1,1,0]=4 12270 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210210 [0,1,0,1,0,0|1,1,0]=4 12271 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)N 62a_100000210211_100000185457 [0,1,0,1,0,0|1,1,0]=4 12272 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)O 62a_100000210211_100000185455 [0,1,0,1,0,0|1,1,0]=4 12273 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)C 62a_100000210211_100011865911 [0,1,0,1,0,0|1,1,0]=4 12274 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210210 [0,1,0,1,0,0|1,1,0]=4 12275 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)F 62a_100000210211_100011998705 [0,1,0,1,0,0|1,1,0]=4 12276 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210210 [0,1,0,1,0,0|1,1,0]=4 12277 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)O 62a_100000210211_100009849208 [0,1,0,1,0,0|1,1,0]=4 12278 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011201679 [0,1,0,1,0,0|2,0,0]=4 12279 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000233755 [0,1,0,1,0,0|2,0,0]=4 12280 B17R2.73925 COCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100011201679 [0,1,0,1,0,0|2,0,0]=4 12281 B17R2.73925 COCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000233755 [0,1,0,1,0,0|2,0,0]=4 12282 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011201679 [0,1,0,1,0,0|2,0,0]=4 12283 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000233755 [0,1,0,1,0,0|2,0,0]=4 12284 B17R2.73925 COCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011201679 [0,1,0,1,0,0|2,0,0]=4 12285 B17R2.73925 COCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000233755 [0,1,0,1,0,0|2,0,0]=4 12286 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000212216 [0,1,0,1,0,0|2,0,0]=4 12287 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000212216 [0,1,0,1,0,0|2,0,0]=4 12288 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000212216 [0,1,0,1,0,0|2,0,0]=4 12289 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000212216 [0,1,0,1,0,0|2,0,0]=4 12290 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000212216 [0,1,0,1,0,0|2,0,0]=4 12291 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000212216 [0,1,0,1,0,0|2,0,0]=4 12292 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000212216 [0,1,0,1,0,0|2,0,0]=4 12293 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000212216 [0,1,0,1,0,0|2,0,0]=4 12294 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCF 34a_100000074090_100011934791 [0,1,0,1,0,0|2,0,0]=4 12295 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCF 7a_100000074090_100011934791 [0,1,0,1,0,0|2,0,0]=4 12296 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCO 34a_100000074090_100000230001 [0,1,0,1,0,0|2,0,0]=4 12297 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCO 7a_100000074090_100011215043 [0,1,0,1,0,0|2,0,0]=4 12298 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011934791 [0,1,0,1,0,0|2,0,0]=4 12299 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011934791 [0,1,0,1,0,0|2,0,0]=4 12300 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011934791 [0,1,0,1,0,0|2,0,0]=4 12301 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011934791 [0,1,0,1,0,0|2,0,0]=4 12302 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011934791 [0,1,0,1,0,0|2,0,0]=4 12303 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011934791 [0,1,0,1,0,0|2,0,0]=4 12304 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000230001 [0,1,0,1,0,0|2,0,0]=4 12305 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011215043 [0,1,0,1,0,0|2,0,0]=4 12306 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000230001 [0,1,0,1,0,0|2,0,0]=4 12307 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011215043 [0,1,0,1,0,0|2,0,0]=4 12308 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000230001 [0,1,0,1,0,0|2,0,0]=4 12309 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011215043 [0,1,0,1,0,0|2,0,0]=4 12310 B17R2.150335 Cc1cccc(c1)C=CC(=O)CC2CCC2 1458a_100000690095_100000763275 [0,1,0,1,0,0|1,0,0]=3 12311 B17R2.150335 Cc1cccc(c1)C=CC(=O)CC2CCO2 1458a_100000690095_100000103362 [0,1,0,1,0,0|2,0,0]=4 12312 B17R2.150335 Cc1cccc(c1)C=CC(=O)CC2COC2 1458a_100000690095_100010264016 [0,1,0,1,0,0|2,0,0]=4 12313 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2CCC2 11a_100000749019_100000690095 [0,1,0,1,0,0|1,0,0]=3 12314 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2CCC2 1626a_100000749019_100000690095 [0,1,0,1,0,0|1,0,0]=3 12315 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2CCC2 240690a_100000749019_100000690095 [0,1,0,1,0,0|1,0,0]=3 12316 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2COC2 11a_100016991112_100000690095 [0,1,0,1,0,0|2,0,0]=4 12317 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2COC2 1626a_100016991112_100000690095 [0,1,0,1,0,0|2,0,0]=4 12318 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2COC2 240690a_100016991112_100000690095 [0,1,0,1,0,0|2,0,0]=4 12319 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2CSC2 11a_100016994217_100000690095 [0,1,0,1,0,0|2,0,0]=4 12320 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2CSC2 1626a_100016994217_100000690095 [0,1,0,1,0,0|2,0,0]=4 12321 B17R2.150335 Cc1cccc(c1)C=CC(=O)NC2CSC2 240690a_100016994217_100000690095 [0,1,0,1,0,0|2,0,0]=4 12322 B17R2.150335 O=C(C=Cc1cccc(c1)Br)CC2CCC2 1458a_100016258244_100000763275 [0,1,0,1,0,0|1,0,0]=3 12323 B17R2.150335 O=C(C=Cc1cccc(c1)Br)CC2CCO2 1458a_100016258244_100000103362 [0,1,0,1,0,0|2,0,0]=4 12324 B17R2.150335 O=C(C=Cc1cccc(c1)Br)CC2COC2 1458a_100016258244_100010264016 [0,1,0,1,0,0|2,0,0]=4 12325 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2CCC2 11a_100000749019_100016258244 [0,1,0,1,0,0|1,0,0]=3 12326 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2CCC2 1626a_100000749019_100016258244 [0,1,0,1,0,0|1,0,0]=3 12327 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2CCC2 240690a_100000749019_100016258244 [0,1,0,1,0,0|1,0,0]=3 12328 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2COC2 11a_100016991112_100016258244 [0,1,0,1,0,0|2,0,0]=4 12329 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2COC2 1626a_100016991112_100016258244 [0,1,0,1,0,0|2,0,0]=4 12330 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2COC2 240690a_100016991112_100016258244 [0,1,0,1,0,0|2,0,0]=4 12331 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2CSC2 11a_100016994217_100016258244 [0,1,0,1,0,0|2,0,0]=4 12332 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2CSC2 1626a_100016994217_100016258244 [0,1,0,1,0,0|2,0,0]=4 12333 B17R2.150335 O=C(C=Cc1cccc(c1)Br)NC2CSC2 240690a_100016994217_100016258244 [0,1,0,1,0,0|2,0,0]=4 12334 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)CC2CCC2 1458a_100000184502_100000763275 [0,1,0,1,0,0|1,0,0]=3 12335 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)CC2CCO2 1458a_100000184502_100000103362 [0,1,0,1,0,0|2,0,0]=4 12336 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)CC2COC2 1458a_100000184502_100010264016 [0,1,0,1,0,0|2,0,0]=4 12337 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CCC2 11a_100000749019_100000184502 [0,1,0,1,0,0|1,0,0]=3 12338 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CCC2 1626a_100000749019_100000184502 [0,1,0,1,0,0|1,0,0]=3 12339 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CCC2 240690a_100000749019_100000184502 [0,1,0,1,0,0|1,0,0]=3 12340 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2COC2 11a_100016991112_100000184502 [0,1,0,1,0,0|2,0,0]=4 12341 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2COC2 1626a_100016991112_100000184502 [0,1,0,1,0,0|2,0,0]=4 12342 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2COC2 240690a_100016991112_100000184502 [0,1,0,1,0,0|2,0,0]=4 12343 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CSC2 11a_100016994217_100000184502 [0,1,0,1,0,0|2,0,0]=4 12344 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CSC2 1626a_100016994217_100000184502 [0,1,0,1,0,0|2,0,0]=4 12345 B17R2.150335 O=C(C=Cc1cccc(c1)Cl)NC2CSC2 240690a_100016994217_100000184502 [0,1,0,1,0,0|2,0,0]=4 12346 B17R2.150335 O=C(C=Cc1cccc(c1)F)CC2CCC2 1458a_100000718793_100000763275 [0,1,0,1,0,0|1,0,0]=3 12347 B17R2.150335 O=C(C=Cc1cccc(c1)F)CC2CCO2 1458a_100000718793_100000103362 [0,1,0,1,0,0|2,0,0]=4 12348 B17R2.150335 O=C(C=Cc1cccc(c1)F)CC2COC2 1458a_100000718793_100010264016 [0,1,0,1,0,0|2,0,0]=4 12349 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2CCC2 11a_100000749019_100000718793 [0,1,0,1,0,0|1,0,0]=3 12350 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2CCC2 1626a_100000749019_100000718793 [0,1,0,1,0,0|1,0,0]=3 12351 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2CCC2 240690a_100000749019_100000718793 [0,1,0,1,0,0|1,0,0]=3 12352 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2COC2 11a_100016991112_100000718793 [0,1,0,1,0,0|2,0,0]=4 12353 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2COC2 1626a_100016991112_100000718793 [0,1,0,1,0,0|2,0,0]=4 12354 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2COC2 240690a_100016991112_100000718793 [0,1,0,1,0,0|2,0,0]=4 12355 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2CSC2 11a_100016994217_100000718793 [0,1,0,1,0,0|2,0,0]=4 12356 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2CSC2 1626a_100016994217_100000718793 [0,1,0,1,0,0|2,0,0]=4 12357 B17R2.150335 O=C(C=Cc1cccc(c1)F)NC2CSC2 240690a_100016994217_100000718793 [0,1,0,1,0,0|2,0,0]=4 12358 B17R2.150335 O=C(C=Cc1cccc(c1)I)CC2CCC2 1458a_100020647043_100000763275 [0,1,0,1,0,0|1,0,0]=3 12359 B17R2.150335 O=C(C=Cc1cccc(c1)I)CC2CCO2 1458a_100020647043_100000103362 [0,1,0,1,0,0|2,0,0]=4 12360 B17R2.150335 O=C(C=Cc1cccc(c1)I)CC2COC2 1458a_100020647043_100010264016 [0,1,0,1,0,0|2,0,0]=4 12361 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2CCC2 11a_100000749019_100020647043 [0,1,0,1,0,0|1,0,0]=3 12362 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2CCC2 1626a_100000749019_100020647043 [0,1,0,1,0,0|1,0,0]=3 12363 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2CCC2 240690a_100000749019_100020647043 [0,1,0,1,0,0|1,0,0]=3 12364 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2COC2 11a_100016991112_100020647043 [0,1,0,1,0,0|2,0,0]=4 12365 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2COC2 1626a_100016991112_100020647043 [0,1,0,1,0,0|2,0,0]=4 12366 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2COC2 240690a_100016991112_100020647043 [0,1,0,1,0,0|2,0,0]=4 12367 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2CSC2 11a_100016994217_100020647043 [0,1,0,1,0,0|2,0,0]=4 12368 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2CSC2 1626a_100016994217_100020647043 [0,1,0,1,0,0|2,0,0]=4 12369 B17R2.150335 O=C(C=Cc1cccc(c1)I)NC2CSC2 240690a_100016994217_100020647043 [0,1,0,1,0,0|2,0,0]=4 12370 B17R2.273179 Cc1cccc(c1)C=CC(=O)CCC2CC2 1458a_100000690095_100000694398 [0,1,0,1,0,0|1,0,0]=3 12371 B17R2.273179 Cc1cccc(c1)C=CC(=O)CCC2CO2 1458a_100000690095_100000732470 [0,1,0,1,0,0|2,0,0]=4 12372 B17R2.273179 Cc1cccc(c1)C=CC(=O)NCC2CC2 11a_100000735609_100000690095 [0,1,0,1,0,0|1,0,0]=3 12373 B17R2.273179 Cc1cccc(c1)C=CC(=O)NCC2CC2 1626a_100000735609_100000690095 [0,1,0,1,0,0|1,0,0]=3 12374 B17R2.273179 Cc1cccc(c1)C=CC(=O)NCC2CC2 240690a_100000735609_100000690095 [0,1,0,1,0,0|1,0,0]=3 12375 B17R2.273179 Cc1cccc(c1)C=CC(=O)NNC2CC2 22a_100000701032_100000690095 [0,1,0,1,0,0|2,0,0]=4 12376 B17R2.273179 O=C(C=Cc1cccc(c1)Br)CCC2CC2 1458a_100016258244_100000694398 [0,1,0,1,0,0|1,0,0]=3 12377 B17R2.273179 O=C(C=Cc1cccc(c1)Br)CCC2CO2 1458a_100016258244_100000732470 [0,1,0,1,0,0|2,0,0]=4 12378 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NCC2CC2 11a_100000735609_100016258244 [0,1,0,1,0,0|1,0,0]=3 12379 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NCC2CC2 1626a_100000735609_100016258244 [0,1,0,1,0,0|1,0,0]=3 12380 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NCC2CC2 240690a_100000735609_100016258244 [0,1,0,1,0,0|1,0,0]=3 12381 B17R2.273179 O=C(C=Cc1cccc(c1)Br)NNC2CC2 22a_100000701032_100016258244 [0,1,0,1,0,0|2,0,0]=4 12382 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)CCC2CC2 1458a_100000184502_100000694398 [0,1,0,1,0,0|1,0,0]=3 12383 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)CCC2CO2 1458a_100000184502_100000732470 [0,1,0,1,0,0|2,0,0]=4 12384 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NCC2CC2 11a_100000735609_100000184502 [0,1,0,1,0,0|1,0,0]=3 12385 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NCC2CC2 1626a_100000735609_100000184502 [0,1,0,1,0,0|1,0,0]=3 12386 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NCC2CC2 240690a_100000735609_100000184502 [0,1,0,1,0,0|1,0,0]=3 12387 B17R2.273179 O=C(C=Cc1cccc(c1)Cl)NNC2CC2 22a_100000701032_100000184502 [0,1,0,1,0,0|2,0,0]=4 12388 B17R2.273179 O=C(C=Cc1cccc(c1)F)CCC2CC2 1458a_100000718793_100000694398 [0,1,0,1,0,0|1,0,0]=3 12389 B17R2.273179 O=C(C=Cc1cccc(c1)F)CCC2CO2 1458a_100000718793_100000732470 [0,1,0,1,0,0|2,0,0]=4 12390 B17R2.273179 O=C(C=Cc1cccc(c1)F)NCC2CC2 11a_100000735609_100000718793 [0,1,0,1,0,0|1,0,0]=3 12391 B17R2.273179 O=C(C=Cc1cccc(c1)F)NCC2CC2 1626a_100000735609_100000718793 [0,1,0,1,0,0|1,0,0]=3 12392 B17R2.273179 O=C(C=Cc1cccc(c1)F)NCC2CC2 240690a_100000735609_100000718793 [0,1,0,1,0,0|1,0,0]=3 12393 B17R2.273179 O=C(C=Cc1cccc(c1)F)NNC2CC2 22a_100000701032_100000718793 [0,1,0,1,0,0|2,0,0]=4 12394 B17R2.273179 O=C(C=Cc1cccc(c1)I)CCC2CC2 1458a_100020647043_100000694398 [0,1,0,1,0,0|1,0,0]=3 12395 B17R2.273179 O=C(C=Cc1cccc(c1)I)CCC2CO2 1458a_100020647043_100000732470 [0,1,0,1,0,0|2,0,0]=4 12396 B17R2.273179 O=C(C=Cc1cccc(c1)I)NCC2CC2 11a_100000735609_100020647043 [0,1,0,1,0,0|1,0,0]=3 12397 B17R2.273179 O=C(C=Cc1cccc(c1)I)NCC2CC2 1626a_100000735609_100020647043 [0,1,0,1,0,0|1,0,0]=3 12398 B17R2.273179 O=C(C=Cc1cccc(c1)I)NCC2CC2 240690a_100000735609_100020647043 [0,1,0,1,0,0|1,0,0]=3 12399 B17R2.273179 O=C(C=Cc1cccc(c1)I)NNC2CC2 22a_100000701032_100020647043 [0,1,0,1,0,0|2,0,0]=4 12400 B17R2.273179 O=C(C=Cc1cccc(c1)O)NNC2CC2 22a_100000701032_100102525460 [0,1,0,1,0,0|2,0,0]=4 12401 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccc2 11a_100016987628_100000210462 [0,1,0,1,0,0|1,0,0]=3 12402 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 11a_100016987628_100000740811 [0,1,0,1,0,0|2,0,0]=4 12403 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccccn2 240690a_100016987628_100000740811 [0,1,0,1,0,0|2,0,0]=4 12404 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 11a_100016987628_100000735890 [0,1,0,1,0,0|2,0,0]=4 12405 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2cccnc2 240690a_100016987628_100000735890 [0,1,0,1,0,0|2,0,0]=4 12406 B17R2.3231 C[C@@H]1CCN(C1)C(=O)C=Cc2ccncc2 240690a_100016987628_100000682801 [0,1,0,1,0,0|2,0,0]=4 12407 B17R2.3231 O=C(C=Cc1ccccc1)N2CC[C@@H](C2)F 11a_100015203821_100000210462 [0,1,0,1,0,0|1,0,0]=3 12408 B17R2.3231 O=C(C=Cc1ccccc1)N2CC[C@@H](C2)F 1626a_100015203821_100000210462 [0,1,0,1,0,0|1,0,0]=3 12409 B17R2.3231 O=C(C=Cc1ccccn1)N2CCC(C2)O 240690a_100011215560_100000740811 [0,1,0,1,0,0|2,0,0]=4 12410 B17R2.3231 O=C(C=Cc1ccccn1)N2CC[C@@H](C2)F 11a_100015203821_100000740811 [0,1,0,1,0,0|2,0,0]=4 12411 B17R2.3231 O=C(C=Cc1ccccn1)N2CC[C@@H](C2)F 240690a_100015203821_100000740811 [0,1,0,1,0,0|2,0,0]=4 12412 B17R2.3231 O=C(C=Cc1cccnc1)N2CCC(C2)O 240690a_100011215560_100000735890 [0,1,0,1,0,0|2,0,0]=4 12413 B17R2.3231 O=C(C=Cc1cccnc1)N2CC[C@@H](C2)F 11a_100015203821_100000735890 [0,1,0,1,0,0|2,0,0]=4 12414 B17R2.3231 O=C(C=Cc1cccnc1)N2CC[C@@H](C2)F 240690a_100015203821_100000735890 [0,1,0,1,0,0|2,0,0]=4 12415 B17R2.3231 O=C(C=Cc1ccncc1)N2CCC(C2)O 240690a_100011215560_100000682801 [0,1,0,1,0,0|2,0,0]=4 12416 B17R2.3231 O=C(C=Cc1ccncc1)N2CC[C@@H](C2)F 240690a_100015203821_100000682801 [0,1,0,1,0,0|2,0,0]=4 12417 B17R2.5233 C=C1CC(C1)NC(=O)C=Cc2ccccc2 11a_100132301982_100000210462 [0,1,0,1,0,0|1,0,1]=4 12418 B17R2.5233 C=C1CC(C1)NC(=O)C=Cc2ccccc2 1626a_100132301982_100000210462 [0,1,0,1,0,0|1,0,1]=4 12419 B17R2.5233 O=C(C=Cc1ccccc1)CC2CC(=O)C2 1458a_100000210462_100009874392 [0,1,0,1,0,0|1,0,1]=4 12420 B17R2.5233 O=C(C=Cc1ccccc1)NC2CC(C2)F 11a_100016993743_100000210462 [0,1,0,1,0,0|1,0,0]=3 12421 B17R2.5233 O=C(C=Cc1ccccc1)NC2CC(C2)F 1626a_100016993743_100000210462 [0,1,0,1,0,0|1,0,0]=3 12422 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000210462 [0,1,0,1,0,0|1,0,0]=3 12423 B17R2.5233 O=C(C=Cc1ccccc1)N[C@H]2C[C@@H](C2)O 1626a_100020629032_100000210462 [0,1,0,1,0,0|1,0,0]=3 12424 B17R2.5233 O=C(C=Cc1ccccn1)NC2CC(C2)F 11a_100016993743_100000740811 [0,1,0,1,0,0|2,0,0]=4 12425 B17R2.5233 O=C(C=Cc1ccccn1)NC2CC(C2)F 240690a_100016993743_100000740811 [0,1,0,1,0,0|2,0,0]=4 12426 B17R2.5233 O=C(C=Cc1ccccn1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000740811 [0,1,0,1,0,0|2,0,0]=4 12427 B17R2.5233 O=C(C=Cc1ccccn1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000740811 [0,1,0,1,0,0|2,0,0]=4 12428 B17R2.5233 O=C(C=Cc1cccnc1)NC2CC(C2)F 11a_100016993743_100000735890 [0,1,0,1,0,0|2,0,0]=4 12429 B17R2.5233 O=C(C=Cc1cccnc1)NC2CC(C2)F 240690a_100016993743_100000735890 [0,1,0,1,0,0|2,0,0]=4 12430 B17R2.5233 O=C(C=Cc1cccnc1)N[C@H]2C[C@@H](C2)O 11a_100020629032_100000735890 [0,1,0,1,0,0|2,0,0]=4 12431 B17R2.5233 O=C(C=Cc1cccnc1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000735890 [0,1,0,1,0,0|2,0,0]=4 12432 B17R2.5233 O=C(C=Cc1ccncc1)NC2CC(C2)F 240690a_100016993743_100000682801 [0,1,0,1,0,0|2,0,0]=4 12433 B17R2.5233 O=C(C=Cc1ccncc1)N[C@H]2C[C@@H](C2)O 240690a_100020629032_100000682801 [0,1,0,1,0,0|2,0,0]=4 12434 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000730704 [0,1,0,1,0,0|1,0,1]=4 12435 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000730704 [0,1,0,1,0,0|1,0,1]=4 12436 B17R2.5669 CC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000053229 [0,1,0,1,0,0|1,0,1]=4 12437 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000210312 [0,1,0,1,0,0|2,0,0]=4 12438 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000210626 [0,1,0,1,0,0|2,0,0]=4 12439 B17R2.5669 CC(C)CCNc1ccc2ccccc2n1 27a_100000210545_100011291633 [0,1,0,1,0,0|2,0,0]=4 12440 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000210312 [0,1,0,1,0,0|1,0,0]=3 12441 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000210626 [0,1,0,1,0,0|1,0,0]=3 12442 B17R2.5669 CC(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000210312 [0,1,0,1,0,0|2,0,0]=4 12443 B17R2.5669 CC(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000210626 [0,1,0,1,0,0|2,0,0]=4 12444 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000210312 [0,1,0,1,0,0|2,0,0]=4 12445 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000210626 [0,1,0,1,0,0|2,0,0]=4 12446 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000210312 [0,1,0,1,0,0|2,0,0]=4 12447 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000210626 [0,1,0,1,0,0|2,0,0]=4 12448 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000210312 [0,1,0,1,0,0|2,0,0]=4 12449 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000210626 [0,1,0,1,0,0|2,0,0]=4 12450 B17R2.5669 CC(C)CCSc1ccc2ccccc2c1 62a_100000210312_100000233703 [0,1,0,1,0,0|1,1,0]=4 12451 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100000210312_100011291633 [0,1,0,1,0,0|1,1,0]=4 12452 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000210312 [0,1,0,1,0,0|1,1,0]=4 12453 B17R2.5669 CC(C)OCOc1ccc2ccccc2c1 34a_100000185828_100000709892 [0,1,0,1,0,0|2,0,0]=4 12454 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 34a_100000211940_100012276601 [0,1,0,1,0,0|2,0,0]=4 12455 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 7a_100000211940_100012276601 [0,1,0,1,0,0|2,0,0]=4 12456 B17R2.5669 CC(O)CCNc1ccc2ccccc2n1 27a_200000755665_100011291633 [0,1,0,1,0,0|2,0,0]=4 12457 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 34a_100000185828_100012276601 [0,1,0,1,0,0|1,0,0]=3 12458 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 7a_100000185828_100012276601 [0,1,0,1,0,0|1,0,0]=3 12459 B17R2.5669 CC(O)CCOc1ccc2cccnc2c1 34a_100011216045_100012276601 [0,1,0,1,0,0|2,0,0]=4 12460 B17R2.5669 CC(O)CCOc1ccc2ccncc2c1 7a_100000752006_100012276601 [0,1,0,1,0,0|2,0,0]=4 12461 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 34a_100000046372_100012276601 [0,1,0,1,0,0|2,0,0]=4 12462 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 7a_100000046372_100012276601 [0,1,0,1,0,0|2,0,0]=4 12463 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 34a_100011215586_100012276601 [0,1,0,1,0,0|2,0,0]=4 12464 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 7a_100011215586_100012276601 [0,1,0,1,0,0|2,0,0]=4 12465 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 34a_100011934006_100012276601 [0,1,0,1,0,0|2,0,0]=4 12466 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 7a_100011934006_100012276601 [0,1,0,1,0,0|2,0,0]=4 12467 B17R2.5669 CC(O)CCSc1ccc2ccccc2c1 62a_100012276601_100000233703 [0,1,0,1,0,0|1,1,0]=4 12468 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100011291633_100012276601 [0,1,0,1,0,0|1,1,0]=4 12469 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100012276601_100011291633 [0,1,0,1,0,0|1,1,0]=4 12470 B17R2.5669 CN(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755713 [0,1,0,1,0,0|2,0,0]=4 12471 B17R2.45566 CC(=NNCC1CC1)C=Cc2ccccc2 4a_100000736359_100000204604 [0,1,0,1,0,0|2,0,0]=4 12472 B17R2.45566 O=C(C=Cc1ccccc1)CC#CC2CC2 1458a_100000210462_100009895102 [0,1,0,1,0,0|1,0,1]=4 12473 B17R2.45566 O=C(C=Cc1ccccc1)CCCC2CO2 1458a_100000210462_100000733510 [0,1,0,1,0,0|1,0,0]=3 12474 B17R2.45566 O=C(C=Cc1ccccc1)NCCC2CC2 1626a_100000764129_100000210462 [0,1,0,1,0,0|1,0,0]=3 12475 B17R2.45566 O=C(C=Cc1ccccc1)NNCC2CC2 22a_100000736359_100000210462 [0,1,0,1,0,0|1,0,0]=3 12476 B17R2.45566 O=C(C=Cc1ccccn1)CCCC2CO2 1458a_100000740811_100000733510 [0,1,0,1,0,0|2,0,0]=4 12477 B17R2.45566 O=C(C=Cc1ccccn1)NCCC2CC2 240690a_100000764129_100000740811 [0,1,0,1,0,0|2,0,0]=4 12478 B17R2.45566 O=C(C=Cc1ccccn1)NNCC2CC2 22a_100000736359_100000740811 [0,1,0,1,0,0|2,0,0]=4 12479 B17R2.45566 O=C(C=Cc1cccnc1)CCCC2CO2 1458a_100000735890_100000733510 [0,1,0,1,0,0|2,0,0]=4 12480 B17R2.45566 O=C(C=Cc1cccnc1)NCCC2CC2 240690a_100000764129_100000735890 [0,1,0,1,0,0|2,0,0]=4 12481 B17R2.45566 O=C(C=Cc1cccnc1)NNCC2CC2 22a_100000736359_100000735890 [0,1,0,1,0,0|2,0,0]=4 12482 B17R2.45566 O=C(C=Cc1ccncc1)CCCC2CO2 1458a_100000682801_100000733510 [0,1,0,1,0,0|2,0,0]=4 12483 B17R2.45566 O=C(C=Cc1ccncc1)NCCC2CC2 240690a_100000764129_100000682801 [0,1,0,1,0,0|2,0,0]=4 12484 B17R2.45566 O=C(C=Cc1ccncc1)NNCC2CC2 22a_100000736359_100000682801 [0,1,0,1,0,0|2,0,0]=4 12485 B17R2.45566 O=C(CCc1ccccc1)COCC2CC2 34a_100000211283_100012361361 [0,1,0,1,0,0|0,0,2]=4 12486 B17R2.45566 O=C(COCC1CC1)NCc2ccccc2 34a_100000211283_100000183539 [0,1,0,1,0,0|1,0,1]=4 12487 B17R2.45566 O=C(COCC1CC1)OCc2ccccc2 34a_100000211283_100000753625 [0,1,0,1,0,0|1,0,1]=4 12488 B17R2.76756 O=C(C=Cc1ccccc1)CC2CC2(F)F 1458a_100000210462_100009817841 [0,1,0,1,0,0|2,0,0]=4 12489 B17R2.76756 O=C(C=Cc1ccccc1)NC2CC2(F)F 1626a_100020610826_100000210462 [0,1,0,1,0,0|2,0,0]=4 12490 B17R2.2342 O=C(C=Cc1ccccc1)C2C=CCCC2 1458a_100000210462_100000751183 [0,1,0,1,0,0|1,0,1]=4 12491 B17R2.2342 O=C(C=Cc1ccccc1)C2CCCCC2 1458a_100000210462_100000210327 [0,1,0,1,0,0|1,0,0]=3 12492 B17R2.2342 O=C(C=Cc1ccccc1)C2CCCOC2 1458a_100000210462_100000693364 [0,1,0,1,0,0|1,0,0]=3 12493 B17R2.2342 O=C(C=Cc1ccccc1)C2CCOCC2 1458a_100000210462_100011324220 [0,1,0,1,0,0|1,0,0]=3 12494 B17R2.2342 O=C(C=Cc1ccccc1)N2CC=CCC2 11a_100000698166_100000210462 [0,1,0,1,0,0|1,0,1]=4 12495 B17R2.2342 O=C(C=Cc1ccccc1)N2CC=CCC2 1626a_100000698166_100000210462 [0,1,0,1,0,0|1,0,1]=4 12496 B17R2.2342 O=C(C=Cc1ccccc1)N2CCCOC2 11a_100000131196_100000210462 [0,1,0,1,0,0|1,0,0]=3 12497 B17R2.2342 O=C(C=Cc1ccccc1)N2CCOCC2 11a_100015191051_100000210462 [0,1,0,1,0,0|1,0,0]=3 12498 B17R2.2342 O=C(C=Cc1ccccc1)N2CCOCC2 1626a_100015191051_100000210462 [0,1,0,1,0,0|1,0,0]=3 12499 B17R2.2342 O=C(C=Cc1ccccc1)N2CCSCC2 11a_100000737611_100000210462 [0,1,0,1,0,0|1,0,0]=3 12500 B17R2.2342 O=C(C=Cc1ccccn1)C2CCCCC2 1458a_100000740811_100000210327 [0,1,0,1,0,0|2,0,0]=4 12501 B17R2.2342 O=C(C=Cc1ccccn1)C2CCCOC2 1458a_100000740811_100000693364 [0,1,0,1,0,0|2,0,0]=4 12502 B17R2.2342 O=C(C=Cc1ccccn1)C2CCOCC2 1458a_100000740811_100011324220 [0,1,0,1,0,0|2,0,0]=4 12503 B17R2.2342 O=C(C=Cc1ccccn1)N2CCCOC2 11a_100000131196_100000740811 [0,1,0,1,0,0|2,0,0]=4 12504 B17R2.2342 O=C(C=Cc1ccccn1)N2CCCOC2 240690a_100000131196_100000740811 [0,1,0,1,0,0|2,0,0]=4 12505 B17R2.2342 O=C(C=Cc1ccccn1)N2CCOCC2 11a_100015191051_100000740811 [0,1,0,1,0,0|2,0,0]=4 12506 B17R2.2342 O=C(C=Cc1ccccn1)N2CCOCC2 240690a_100015191051_100000740811 [0,1,0,1,0,0|2,0,0]=4 12507 B17R2.2342 O=C(C=Cc1ccccn1)N2CCSCC2 11a_100000737611_100000740811 [0,1,0,1,0,0|2,0,0]=4 12508 B17R2.2342 O=C(C=Cc1ccccn1)N2CCSCC2 240690a_100000737611_100000740811 [0,1,0,1,0,0|2,0,0]=4 12509 B17R2.2342 O=C(C=Cc1cccnc1)C2CCCCC2 1458a_100000735890_100000210327 [0,1,0,1,0,0|2,0,0]=4 12510 B17R2.2342 O=C(C=Cc1cccnc1)C2CCCOC2 1458a_100000735890_100000693364 [0,1,0,1,0,0|2,0,0]=4 12511 B17R2.2342 O=C(C=Cc1cccnc1)C2CCOCC2 1458a_100000735890_100011324220 [0,1,0,1,0,0|2,0,0]=4 12512 B17R2.2342 O=C(C=Cc1cccnc1)N2CCCOC2 11a_100000131196_100000735890 [0,1,0,1,0,0|2,0,0]=4 12513 B17R2.2342 O=C(C=Cc1cccnc1)N2CCCOC2 240690a_100000131196_100000735890 [0,1,0,1,0,0|2,0,0]=4 12514 B17R2.2342 O=C(C=Cc1cccnc1)N2CCOCC2 11a_100015191051_100000735890 [0,1,0,1,0,0|2,0,0]=4 12515 B17R2.2342 O=C(C=Cc1cccnc1)N2CCOCC2 240690a_100015191051_100000735890 [0,1,0,1,0,0|2,0,0]=4 12516 B17R2.2342 O=C(C=Cc1cccnc1)N2CCSCC2 11a_100000737611_100000735890 [0,1,0,1,0,0|2,0,0]=4 12517 B17R2.2342 O=C(C=Cc1cccnc1)N2CCSCC2 240690a_100000737611_100000735890 [0,1,0,1,0,0|2,0,0]=4 12518 B17R2.2342 O=C(C=Cc1ccncc1)C2CCCCC2 1458a_100000682801_100000210327 [0,1,0,1,0,0|2,0,0]=4 12519 B17R2.2342 O=C(C=Cc1ccncc1)C2CCCOC2 1458a_100000682801_100000693364 [0,1,0,1,0,0|2,0,0]=4 12520 B17R2.2342 O=C(C=Cc1ccncc1)C2CCOCC2 1458a_100000682801_100011324220 [0,1,0,1,0,0|2,0,0]=4 12521 B17R2.2342 O=C(C=Cc1ccncc1)N2CCCOC2 240690a_100000131196_100000682801 [0,1,0,1,0,0|2,0,0]=4 12522 B17R2.2342 O=C(C=Cc1ccncc1)N2CCOCC2 240690a_100015191051_100000682801 [0,1,0,1,0,0|2,0,0]=4 12523 B17R2.2342 O=C(C=Cc1ccncc1)N2CCSCC2 240690a_100000737611_100000682801 [0,1,0,1,0,0|2,0,0]=4 12524 B17R2.2342 O=C(CCc1ccccc1)C2CCCCO2 1458a_100000748299_100000765856 [0,1,0,1,0,0|0,0,2]=4 12525 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 11a_100015324214_100000748299 [0,1,0,1,0,0|1,0,1]=4 12526 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 1626a_100015324214_100000748299 [0,1,0,1,0,0|1,0,1]=4 12527 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 240690a_100015324214_100000748299 [0,1,0,1,0,0|1,0,1]=4 12528 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 527a_100015324214_100000748299 [0,1,0,1,0,0|1,0,1]=4 12529 B17R2.2342 O=C(NNc1ccccc1)C2CCCCO2 22a_100015195140_100000748299 [0,1,0,1,0,0|2,0,0]=4 12530 B17R2.3530 CC1SCCN1C(=O)C=Cc2ccccc2 11a_200011216479_100000210462 [0,1,0,1,0,0|1,0,0]=3 12531 B17R2.3530 CC1SCCN1C(=O)C=Cc2ccccc2 1626a_200011216479_100000210462 [0,1,0,1,0,0|1,0,0]=3 12532 B17R2.3530 CC1SCCN1C(=O)C=Cc2ccccn2 11a_200011216479_100000740811 [0,1,0,1,0,0|2,0,0]=4 12533 B17R2.3530 CC1SCCN1C(=O)C=Cc2ccccn2 240690a_200011216479_100000740811 [0,1,0,1,0,0|2,0,0]=4 12534 B17R2.3530 CC1SCCN1C(=O)C=Cc2cccnc2 11a_200011216479_100000735890 [0,1,0,1,0,0|2,0,0]=4 12535 B17R2.3530 CC1SCCN1C(=O)C=Cc2cccnc2 240690a_200011216479_100000735890 [0,1,0,1,0,0|2,0,0]=4 12536 B17R2.3530 CC1SCCN1C(=O)C=Cc2ccncc2 240690a_200011216479_100000682801 [0,1,0,1,0,0|2,0,0]=4 12537 B17R2.3530 C[C@@H]1CCCN1C(=O)C=Cc2ccccc2 11a_100015189458_100000210462 [0,1,0,1,0,0|1,0,0]=3 12538 B17R2.3530 C[C@@H]1CCCN1C(=O)C=Cc2ccccn2 11a_100015189458_100000740811 [0,1,0,1,0,0|2,0,0]=4 12539 B17R2.3530 C[C@@H]1CCCN1C(=O)C=Cc2ccccn2 240690a_100015189458_100000740811 [0,1,0,1,0,0|2,0,0]=4 12540 B17R2.3530 C[C@@H]1CCCN1C(=O)C=Cc2cccnc2 11a_100015189458_100000735890 [0,1,0,1,0,0|2,0,0]=4 12541 B17R2.3530 C[C@@H]1CCCN1C(=O)C=Cc2cccnc2 240690a_100015189458_100000735890 [0,1,0,1,0,0|2,0,0]=4 12542 B17R2.3530 C[C@@H]1CCCN1C(=O)C=Cc2ccncc2 240690a_100015189458_100000682801 [0,1,0,1,0,0|2,0,0]=4 12543 B17R2.3530 C[C@H]1CCCN1C(=O)C=Cc2ccccn2 240690a_100020605311_100000740811 [0,1,0,1,0,0|2,0,0]=4 12544 B17R2.3530 C[C@H]1CCCN1C(=O)C=Cc2cccnc2 240690a_100020605311_100000735890 [0,1,0,1,0,0|2,0,0]=4 12545 B17R2.3530 C[C@H]1CCCN1C(=O)C=Cc2ccncc2 240690a_100020605311_100000682801 [0,1,0,1,0,0|2,0,0]=4 12546 B17R2.3530 O=C(C=Cc1ccccc1)C2CCCC2=O 1458a_100000210462_100000211823 [0,1,0,1,0,0|1,0,1]=4 12547 B17R2.4579 CCCc1nc(no1)C=Cc2ccccc2 270196a_100000735103_100000211992 [0,1,0,1,0,0|1,0,1]=4 12548 B17R2.5879 BrCCCOCc1ccc2ccccc2c1 34a_100011217188_100011216711 [0,1,0,1,0,0|2,0,0]=4 12549 B17R2.5879 BrCCCOCc1ccc2ccccc2n1 34a_100011217188_100000737579 [0,1,0,1,0,0|2,0,0]=4 12550 B17R2.5879 C#CCCCOc1ccc2ccccc2c1 34a_100000185828_100000695029 [0,1,0,1,0,0|1,0,1]=4 12551 B17R2.5879 C#CCCCOc1ccc2ccccc2c1 7a_100000185828_100011215417 [0,1,0,1,0,0|1,0,1]=4 12552 B17R2.5879 C=CCCCOc1ccc2ccccc2c1 34a_100000185828_100000757094 [0,1,0,1,0,0|1,0,1]=4 12553 B17R2.5879 C=CCCCOc1ccc2ccccc2c1 7a_100000185828_100000757094 [0,1,0,1,0,0|1,0,1]=4 12554 B17R2.5879 CC/C=C\COc1ccc2ccccc2c1 34a_100000185828_100103147603 [0,1,0,1,0,0|1,0,1]=4 12555 B17R2.5879 CC/C=C\COc1ccc2ccccc2c1 7a_100000185828_100103147603 [0,1,0,1,0,0|1,0,1]=4 12556 B17R2.5879 CCC#CCOc1ccc2ccccc2c1 34a_100000185828_100009813939 [0,1,0,1,0,0|1,0,1]=4 12557 B17R2.5879 CCC#CCOc1ccc2ccccc2c1 7a_100000185828_100009813939 [0,1,0,1,0,0|1,0,1]=4 12558 B17R2.5879 CCCCC=Cc1ccc2ccccc2c1 271570a_100016275911_100000233703 [0,1,0,1,0,0|2,0,0]=4 12559 B17R2.5879 CCCCC=Cc1ccc2ccccc2n1 271570a_100016275911_100011291633 [0,1,0,1,0,0|2,0,0]=4 12560 B17R2.5879 CCCCCNc1ccc2ccccc2c1 34a_100000211940_100000718602 [0,1,0,1,0,0|2,0,0]=4 12561 B17R2.5879 CCCCCNc1ccc2ccccc2c1 7a_100000211940_100000210326 [0,1,0,1,0,0|2,0,0]=4 12562 B17R2.5879 CCCCCNc1ccc2ccccc2n1 27a_100000209983_100011291633 [0,1,0,1,0,0|2,0,0]=4 12563 B17R2.5879 CCCCCOc1ccc2ccccc2c1 34a_100000185828_100000718602 [0,1,0,1,0,0|1,0,0]=3 12564 B17R2.5879 CCCCCOc1ccc2ccccc2c1 7a_100000185828_100000210326 [0,1,0,1,0,0|1,0,0]=3 12565 B17R2.5879 CCCCCOc1ccc2cccnc2c1 34a_100011216045_100000718602 [0,1,0,1,0,0|2,0,0]=4 12566 B17R2.5879 CCCCCOc1ccc2ccncc2c1 7a_100000752006_100000210326 [0,1,0,1,0,0|2,0,0]=4 12567 B17R2.5879 CCCCCOc1ccc2cnccc2c1 34a_100000046372_100000718602 [0,1,0,1,0,0|2,0,0]=4 12568 B17R2.5879 CCCCCOc1ccc2cnccc2c1 7a_100000046372_100000210326 [0,1,0,1,0,0|2,0,0]=4 12569 B17R2.5879 CCCCCOc1ccc2ncccc2c1 34a_100011215586_100000718602 [0,1,0,1,0,0|2,0,0]=4 12570 B17R2.5879 CCCCCOc1ccc2ncccc2c1 7a_100011215586_100000210326 [0,1,0,1,0,0|2,0,0]=4 12571 B17R2.5879 CCCCCOc1cnc2ccccc2c1 34a_100011934006_100000718602 [0,1,0,1,0,0|2,0,0]=4 12572 B17R2.5879 CCCCCOc1cnc2ccccc2c1 7a_100011934006_100000210326 [0,1,0,1,0,0|2,0,0]=4 12573 B17R2.5879 CCCCCSc1ccc2ccccc2c1 62a_100000210326_100000233703 [0,1,0,1,0,0|1,1,0]=4 12574 B17R2.5879 CCCCCSc1ccc2ccccc2n1 62a_100000210326_100011291633 [0,1,0,1,0,0|1,1,0]=4 12575 B17R2.5879 CCCCCSc1ccc2ccccc2n1 62a_100011291633_100000210326 [0,1,0,1,0,0|1,1,0]=4 12576 B17R2.5879 CCCCNCc1ccc2ccccc2c1 207a_100000102301_100000211584 [0,1,0,1,0,0|2,0,0]=4 12577 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000102301_100011216711 [0,1,0,1,0,0|2,0,0]=4 12578 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210211 [0,1,0,1,0,0|2,0,0]=4 12579 B17R2.5879 CCCCNCc1ccc2ccccc2c1 270004a_100000102301_100000211584 [0,1,0,1,0,0|2,0,0]=4 12580 B17R2.5879 CCCCNCc1ccc2ccccc2c1 34a_100000739491_100000210210 [0,1,0,1,0,0|2,0,0]=4 12581 B17R2.5879 CCCCNCc1ccc2ccccc2c1 7a_106832991798_100011216711 [0,1,0,1,0,0|2,0,0]=4 12582 B17R2.5879 CCCCNCc1ccc2ccccc2n1 207a_100000102301_100000759686 [0,1,0,1,0,0|2,0,0]=4 12583 B17R2.5879 CCCCNCc1ccc2ccccc2n1 2230a_100000102301_100000737579 [0,1,0,1,0,0|2,0,0]=4 12584 B17R2.5879 CCCCNCc1ccc2ccccc2n1 270004a_100000102301_100000759686 [0,1,0,1,0,0|2,0,0]=4 12585 B17R2.5879 CCCCNCc1ccc2ccccc2n1 7a_106832991798_100000737579 [0,1,0,1,0,0|2,0,0]=4 12586 B17R2.5879 CCCCOCc1cc2ccccc2cn1 34a_100000210227_100009869231 [0,1,0,1,0,0|2,0,0]=4 12587 B17R2.5879 CCCCOCc1cc2ccccc2cn1 7a_100000210227_100009869231 [0,1,0,1,0,0|2,0,0]=4 12588 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100000210227_100011216711 [0,1,0,1,0,0|1,0,0]=3 12589 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100011215330_100000210210 [0,1,0,1,0,0|1,0,0]=3 12590 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100000210227_100011216711 [0,1,0,1,0,0|1,0,0]=3 12591 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100011215330_100000210211 [0,1,0,1,0,0|1,0,0]=3 12592 B17R2.5879 CCCCOCc1ccc2ccccc2n1 34a_100000210227_100000737579 [0,1,0,1,0,0|1,0,0]=3 12593 B17R2.5879 CCCCOCc1ccc2ccccc2n1 7a_100000210227_100000737579 [0,1,0,1,0,0|1,0,0]=3 12594 B17R2.5879 CCCCOCc1ccc2cnccc2c1 34a_100000210227_100020605334 [0,1,0,1,0,0|2,0,0]=4 12595 B17R2.5879 CCCCOCc1ccc2cnccc2c1 7a_100000210227_100020605334 [0,1,0,1,0,0|2,0,0]=4 12596 B17R2.5879 CCCCOCc1ccc2ncccc2c1 34a_100000210227_100000703657 [0,1,0,1,0,0|2,0,0]=4 12597 B17R2.5879 CCCCOCc1ccc2ncccc2c1 34a_100011315636_100000210210 [0,1,0,1,0,0|2,0,0]=4 12598 B17R2.5879 CCCCOCc1ccc2ncccc2c1 7a_100000210227_100000703657 [0,1,0,1,0,0|2,0,0]=4 12599 B17R2.5879 CCCCOCc1cnc2ccccc2c1 34a_100011258773_100000210210 [0,1,0,1,0,0|2,0,0]=4 12600 B17R2.5879 CCCCOCc1cnc2ccccc2n1 7a_100000210227_200000751123 [0,1,0,1,0,0|2,0,0]=4 12601 B17R2.5879 CCCCOCc1ncc2ccccc2n1 34a_100000210227_100009868571 [0,1,0,1,0,0|2,0,0]=4 12602 B17R2.5879 CCCCOCc1ncc2ccccc2n1 7a_100000210227_100009868571 [0,1,0,1,0,0|2,0,0]=4 12603 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100000210211_100011216711 [0,1,0,1,0,0|1,1,0]=4 12604 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100011216711_100000210210 [0,1,0,1,0,0|1,1,0]=4 12605 B17R2.5879 CCCCSCc1ccc2ccccc2n1 62a_100000210211_100000737579 [0,1,0,1,0,0|1,1,0]=4 12606 B17R2.5879 CCCCSCc1ccc2ccccc2n1 62a_100000737579_100000210210 [0,1,0,1,0,0|1,1,0]=4 12607 B17R2.5879 CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210303 [0,1,0,1,0,0|2,0,0]=4 12608 B17R2.5879 CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210303 [0,1,0,1,0,0|2,0,0]=4 12609 B17R2.5879 CCCOCCc1ccc2ccccc2c1 34a_100000755654_100000210303 [0,1,0,1,0,0|2,0,0]=4 12610 B17R2.5879 CCCOCCc1ccc2ccccc2c1 7a_100000755654_100000210303 [0,1,0,1,0,0|2,0,0]=4 12611 B17R2.5879 CCCOCCc1ccc2ccccc2n1 34a_100011996444_100000210303 [0,1,0,1,0,0|2,0,0]=4 12612 B17R2.5879 CCOCCNc1ccc2ccccc2c1 34a_100000211940_100000210147 [0,1,0,1,0,0|2,0,0]=4 12613 B17R2.5879 CCOCCNc1ccc2ccccc2c1 7a_100000211940_100011215890 [0,1,0,1,0,0|2,0,0]=4 12614 B17R2.5879 CCOCCNc1ccc2ccccc2n1 27a_100011200944_100011291633 [0,1,0,1,0,0|2,0,0]=4 12615 B17R2.5879 CCOCCOc1ccc2ccccc2c1 34a_100000185828_100000210147 [0,1,0,1,0,0|1,0,0]=3 12616 B17R2.5879 CCOCCOc1ccc2ccccc2c1 34a_200011219602_100000210202 [0,1,0,1,0,0|1,0,0]=3 12617 B17R2.5879 CCOCCOc1ccc2ccccc2c1 7a_100000185828_100011215890 [0,1,0,1,0,0|1,0,0]=3 12618 B17R2.5879 CCOCCOc1ccc2ccccc2c1 7a_200011219602_100000210202 [0,1,0,1,0,0|1,0,0]=3 12619 B17R2.5879 CCOCCOc1ccc2cccnc2c1 34a_100011216045_100000210147 [0,1,0,1,0,0|2,0,0]=4 12620 B17R2.5879 CCOCCOc1ccc2ccncc2c1 7a_100000752006_100011215890 [0,1,0,1,0,0|2,0,0]=4 12621 B17R2.5879 CCOCCOc1ccc2cnccc2c1 34a_100000046372_100000210147 [0,1,0,1,0,0|2,0,0]=4 12622 B17R2.5879 CCOCCOc1ccc2cnccc2c1 7a_100000046372_100011215890 [0,1,0,1,0,0|2,0,0]=4 12623 B17R2.5879 CCOCCOc1ccc2ncccc2c1 34a_100011215586_100000210147 [0,1,0,1,0,0|2,0,0]=4 12624 B17R2.5879 CCOCCOc1ccc2ncccc2c1 7a_100011215586_100011215890 [0,1,0,1,0,0|2,0,0]=4 12625 B17R2.5879 CCOCCOc1cnc2ccccc2c1 34a_100011934006_100000210147 [0,1,0,1,0,0|2,0,0]=4 12626 B17R2.5879 CCOCCOc1cnc2ccccc2c1 7a_100011934006_100011215890 [0,1,0,1,0,0|2,0,0]=4 12627 B17R2.5879 CCOCCSc1ccc2ccccc2c1 62a_100000210147_100000233703 [0,1,0,1,0,0|1,1,0]=4 12628 B17R2.5879 CCOCCSc1ccc2ccccc2n1 62a_100000210147_100011291633 [0,1,0,1,0,0|1,1,0]=4 12629 B17R2.5879 CCOCCSc1ccc2ccccc2n1 62a_100011291633_100011215890 [0,1,0,1,0,0|1,1,0]=4 12630 B17R2.5879 CCSCCNc1ccc2ccccc2c1 34a_100000211940_100000757381 [0,1,0,1,0,0|2,0,0]=4 12631 B17R2.5879 CCSCCNc1ccc2ccccc2c1 7a_100000211940_100000757381 [0,1,0,1,0,0|2,0,0]=4 12632 B17R2.5879 CCSCCNc1ccc2ccccc2n1 27a_100000106463_100011291633 [0,1,0,1,0,0|2,0,0]=4 12633 B17R2.5879 CCSCCOc1ccc2ccccc2c1 34a_100000185828_100000757381 [0,1,0,1,0,0|1,0,0]=3 12634 B17R2.5879 CCSCCOc1ccc2ccccc2c1 7a_100000185828_100000757381 [0,1,0,1,0,0|1,0,0]=3 12635 B17R2.5879 CCSCCOc1ccc2cccnc2c1 34a_100011216045_100000757381 [0,1,0,1,0,0|2,0,0]=4 12636 B17R2.5879 CCSCCOc1ccc2ccncc2c1 7a_100000752006_100000757381 [0,1,0,1,0,0|2,0,0]=4 12637 B17R2.5879 CCSCCOc1ccc2cnccc2c1 34a_100000046372_100000757381 [0,1,0,1,0,0|2,0,0]=4 12638 B17R2.5879 CCSCCOc1ccc2cnccc2c1 7a_100000046372_100000757381 [0,1,0,1,0,0|2,0,0]=4 12639 B17R2.5879 CCSCCOc1ccc2ncccc2c1 34a_100011215586_100000757381 [0,1,0,1,0,0|2,0,0]=4 12640 B17R2.5879 CCSCCOc1ccc2ncccc2c1 7a_100011215586_100000757381 [0,1,0,1,0,0|2,0,0]=4 12641 B17R2.5879 CCSCCOc1cnc2ccccc2c1 34a_100011934006_100000757381 [0,1,0,1,0,0|2,0,0]=4 12642 B17R2.5879 CCSCCOc1cnc2ccccc2c1 7a_100011934006_100000757381 [0,1,0,1,0,0|2,0,0]=4 12643 B17R2.5879 CCSCCSc1ccc2ccccc2c1 62a_100000757381_100000233703 [0,1,0,1,0,0|1,1,0]=4 12644 B17R2.5879 CCSCCSc1ccc2ccccc2n1 62a_100000757381_100011291633 [0,1,0,1,0,0|1,1,0]=4 12645 B17R2.5879 CCSCCSc1ccc2ccccc2n1 62a_100011291633_100000757381 [0,1,0,1,0,0|1,1,0]=4 12646 B17R2.5879 CNCCCOc1ccc2ccccc2c1 2230a_106832991635_100000750887 [0,1,0,1,0,0|1,0,0]=3 12647 B17R2.5879 CNCCCOc1ccc2ccccc2c1 34a_100102657272_100000750887 [0,1,0,1,0,0|1,0,0]=3 12648 B17R2.5879 CNCCCOc1ccc2ccccc2c1 7a_106832991635_100000750887 [0,1,0,1,0,0|1,0,0]=3 12649 B17R2.5879 COCCCNc1ccc2ccccc2c1 34a_100000211940_100000740836 [0,1,0,1,0,0|2,0,0]=4 12650 B17R2.5879 COCCCNc1ccc2ccccc2c1 7a_100000211940_100000740836 [0,1,0,1,0,0|2,0,0]=4 12651 B17R2.5879 COCCCNc1ccc2ccccc2n1 27a_100150723488_100011291633 [0,1,0,1,0,0|2,0,0]=4 12652 B17R2.5879 COCCCOc1ccc2ccccc2c1 34a_100000185828_100000740836 [0,1,0,1,0,0|1,0,0]=3 12653 B17R2.5879 COCCCOc1ccc2ccccc2c1 34a_100138415774_100000750887 [0,1,0,1,0,0|1,0,0]=3 12654 B17R2.5879 COCCCOc1ccc2ccccc2c1 7a_100000185828_100000740836 [0,1,0,1,0,0|1,0,0]=3 12655 B17R2.5879 COCCCOc1ccc2cccnc2c1 34a_100011216045_100000740836 [0,1,0,1,0,0|2,0,0]=4 12656 B17R2.5879 COCCCOc1ccc2ccncc2c1 7a_100000752006_100000740836 [0,1,0,1,0,0|2,0,0]=4 12657 B17R2.5879 COCCCOc1ccc2cnccc2c1 34a_100000046372_100000740836 [0,1,0,1,0,0|2,0,0]=4 12658 B17R2.5879 COCCCOc1ccc2cnccc2c1 7a_100000046372_100000740836 [0,1,0,1,0,0|2,0,0]=4 12659 B17R2.5879 COCCCOc1ccc2ncccc2c1 34a_100011215586_100000740836 [0,1,0,1,0,0|2,0,0]=4 12660 B17R2.5879 COCCCOc1ccc2ncccc2c1 7a_100011215586_100000740836 [0,1,0,1,0,0|2,0,0]=4 12661 B17R2.5879 COCCCOc1cnc2ccccc2c1 34a_100011934006_100000740836 [0,1,0,1,0,0|2,0,0]=4 12662 B17R2.5879 COCCCOc1cnc2ccccc2c1 7a_100011934006_100000740836 [0,1,0,1,0,0|2,0,0]=4 12663 B17R2.5879 COCCCSc1ccc2ccccc2c1 62a_100000709357_100000233703 [0,1,0,1,0,0|1,1,0]=4 12664 B17R2.5879 COCCCSc1ccc2ccccc2n1 62a_100000709357_100011291633 [0,1,0,1,0,0|1,1,0]=4 12665 B17R2.5879 COCCCSc1ccc2ccccc2n1 62a_100011291633_100000709357 [0,1,0,1,0,0|1,1,0]=4 12666 B17R2.5879 COCCOCc1ccc2ccccc2c1 34a_100000210237_100011216711 [0,1,0,1,0,0|2,0,0]=4 12667 B17R2.5879 COCCOCc1ccc2ccccc2c1 34a_100011215330_100011201679 [0,1,0,1,0,0|2,0,0]=4 12668 B17R2.5879 COCCOCc1ccc2ccccc2c1 7a_100011215330_100000233755 [0,1,0,1,0,0|2,0,0]=4 12669 B17R2.5879 COCCOCc1ccc2ccccc2n1 34a_100000210237_100000737579 [0,1,0,1,0,0|2,0,0]=4 12670 B17R2.5879 CSCCCNc1ccc2ccccc2n1 27a_100000749238_100011291633 [0,1,0,1,0,0|2,0,0]=4 12671 B17R2.5879 CSCCCOc1ccc2ccccc2c1 62a_100000750887_200000210301 [0,1,0,1,0,0|1,0,0]=3 12672 B17R2.5879 CSCCCOc1ccc2ccccc2c1 62a_200000210301_100000750887 [0,1,0,1,0,0|1,0,0]=3 12673 B17R2.5879 CSCCOCc1ccc2ccccc2c1 34a_100000230434_100011216711 [0,1,0,1,0,0|2,0,0]=4 12674 B17R2.5879 CSCCOCc1ccc2ccccc2c1 34a_100011215330_100000212216 [0,1,0,1,0,0|2,0,0]=4 12675 B17R2.5879 CSCCOCc1ccc2ccccc2c1 7a_100000230434_100011216711 [0,1,0,1,0,0|2,0,0]=4 12676 B17R2.5879 CSCCOCc1ccc2ccccc2c1 7a_100011215330_100000212216 [0,1,0,1,0,0|2,0,0]=4 12677 B17R2.5879 CSCCOCc1ccc2ccccc2n1 34a_100000230434_100000737579 [0,1,0,1,0,0|2,0,0]=4 12678 B17R2.5879 CSCCOCc1ccc2ccccc2n1 7a_100000230434_100000737579 [0,1,0,1,0,0|2,0,0]=4 12679 B17R2.5879 ClCCCOCc1ccc2ccccc2c1 34a_100000230001_100011216711 [0,1,0,1,0,0|2,0,0]=4 12680 B17R2.5879 ClCCCOCc1ccc2ccccc2n1 34a_100000230001_100000737579 [0,1,0,1,0,0|2,0,0]=4 12681 B17R2.5879 FCCCCNc1ccc2ccccc2c1 34a_100000211940_100000729493 [0,1,0,1,0,0|2,0,0]=4 12682 B17R2.5879 FCCCCNc1ccc2ccccc2c1 7a_100000211940_100000729493 [0,1,0,1,0,0|2,0,0]=4 12683 B17R2.5879 FCCCCOc1ccc2ccccc2c1 34a_100000185828_100000729493 [0,1,0,1,0,0|1,0,0]=3 12684 B17R2.5879 FCCCCOc1ccc2ccccc2c1 7a_100000185828_100000729493 [0,1,0,1,0,0|1,0,0]=3 12685 B17R2.5879 FCCCCOc1ccc2cccnc2c1 34a_100011216045_100000729493 [0,1,0,1,0,0|2,0,0]=4 12686 B17R2.5879 FCCCCOc1ccc2ccncc2c1 7a_100000752006_100000729493 [0,1,0,1,0,0|2,0,0]=4 12687 B17R2.5879 FCCCCOc1ccc2cnccc2c1 34a_100000046372_100000729493 [0,1,0,1,0,0|2,0,0]=4 12688 B17R2.5879 FCCCCOc1ccc2cnccc2c1 7a_100000046372_100000729493 [0,1,0,1,0,0|2,0,0]=4 12689 B17R2.5879 FCCCCOc1ccc2ncccc2c1 34a_100011215586_100000729493 [0,1,0,1,0,0|2,0,0]=4 12690 B17R2.5879 FCCCCOc1ccc2ncccc2c1 7a_100011215586_100000729493 [0,1,0,1,0,0|2,0,0]=4 12691 B17R2.5879 FCCCCOc1cnc2ccccc2c1 34a_100011934006_100000729493 [0,1,0,1,0,0|2,0,0]=4 12692 B17R2.5879 FCCCCOc1cnc2ccccc2c1 7a_100011934006_100000729493 [0,1,0,1,0,0|2,0,0]=4 12693 B17R2.5879 FCCCCSc1ccc2ccccc2c1 62a_100000729493_100000233703 [0,1,0,1,0,0|1,1,0]=4 12694 B17R2.5879 FCCCCSc1ccc2ccccc2n1 62a_100000729493_100011291633 [0,1,0,1,0,0|1,1,0]=4 12695 B17R2.5879 FCCCCSc1ccc2ccccc2n1 62a_100011291633_100000729493 [0,1,0,1,0,0|1,1,0]=4 12696 B17R2.5879 FCCCOCc1ccc2ccccc2c1 34a_100000759539_100011216711 [0,1,0,1,0,0|2,0,0]=4 12697 B17R2.5879 FCCCOCc1ccc2ccccc2c1 34a_100011215330_100011934791 [0,1,0,1,0,0|2,0,0]=4 12698 B17R2.5879 FCCCOCc1ccc2ccccc2c1 7a_100011215330_100011934791 [0,1,0,1,0,0|2,0,0]=4 12699 B17R2.5879 FCCCOCc1ccc2ccccc2n1 34a_100000759539_100000737579 [0,1,0,1,0,0|2,0,0]=4 12700 B17R2.5879 FCOCCOc1ccc2ccccc2c1 34a_200011219602_100015361967 [0,1,0,1,0,0|2,0,0]=4 12701 B17R2.5879 FCOCCOc1ccc2ccccc2c1 7a_200011219602_100015361967 [0,1,0,1,0,0|2,0,0]=4 12702 B17R2.5879 N#CCCCOc1ccc2ccccc2c1 7a_100000185828_100000687738 [0,1,0,1,0,0|1,0,1]=4 12703 B17R2.5879 NCCCOCc1ccc2ccccc2c1 34a_100000182051_100011216711 [0,1,0,1,0,0|2,0,0]=4 12704 B17R2.5879 NCCCOCc1ccc2ccccc2n1 34a_100000182051_100000737579 [0,1,0,1,0,0|2,0,0]=4 12705 B17R2.5879 O=CCCCOc1ccc2ccccc2c1 7a_100000185828_200011292268 [0,1,0,1,0,0|1,0,1]=4 12706 B17R2.5879 OCCCCNc1ccc2ccccc2c1 34a_100000211940_100011216708 [0,1,0,1,0,0|2,0,0]=4 12707 B17R2.5879 OCCCCNc1ccc2ccccc2c1 7a_100000211940_100000210776 [0,1,0,1,0,0|2,0,0]=4 12708 B17R2.5879 OCCCCNc1ccc2ccccc2n1 27a_100000750430_100011291633 [0,1,0,1,0,0|2,0,0]=4 12709 B17R2.5879 OCCCCOc1ccc2ccccc2c1 34a_100000185828_100011216708 [0,1,0,1,0,0|1,0,0]=3 12710 B17R2.5879 OCCCCOc1ccc2ccccc2c1 7a_100000185828_100000210776 [0,1,0,1,0,0|1,0,0]=3 12711 B17R2.5879 OCCCCOc1ccc2cccnc2c1 34a_100011216045_100011216708 [0,1,0,1,0,0|2,0,0]=4 12712 B17R2.5879 OCCCCOc1ccc2ccncc2c1 7a_100000752006_100000210776 [0,1,0,1,0,0|2,0,0]=4 12713 B17R2.5879 OCCCCOc1ccc2cnccc2c1 34a_100000046372_100011216708 [0,1,0,1,0,0|2,0,0]=4 12714 B17R2.5879 OCCCCOc1ccc2cnccc2c1 7a_100000046372_100000210776 [0,1,0,1,0,0|2,0,0]=4 12715 B17R2.5879 OCCCCOc1ccc2ncccc2c1 34a_100011215586_100011216708 [0,1,0,1,0,0|2,0,0]=4 12716 B17R2.5879 OCCCCOc1ccc2ncccc2c1 7a_100011215586_100000210776 [0,1,0,1,0,0|2,0,0]=4 12717 B17R2.5879 OCCCCOc1cnc2ccccc2c1 34a_100011934006_100011216708 [0,1,0,1,0,0|2,0,0]=4 12718 B17R2.5879 OCCCCOc1cnc2ccccc2c1 7a_100011934006_100000210776 [0,1,0,1,0,0|2,0,0]=4 12719 B17R2.5879 OCCCCSc1ccc2ccccc2c1 62a_100000210776_100000233703 [0,1,0,1,0,0|1,1,0]=4 12720 B17R2.5879 OCCCCSc1ccc2ccccc2n1 62a_100000210776_100011291633 [0,1,0,1,0,0|1,1,0]=4 12721 B17R2.5879 OCCCCSc1ccc2ccccc2n1 62a_100011291633_100000210776 [0,1,0,1,0,0|1,1,0]=4 12722 B17R2.5879 OCCCOCc1ccc2ccccc2c1 34a_100011215330_100000230001 [0,1,0,1,0,0|2,0,0]=4 12723 B17R2.5879 OCCCOCc1ccc2ccccc2c1 7a_100011215330_100011215043 [0,1,0,1,0,0|2,0,0]=4 12724 B17R2.5879 [13CH3]SCCCOc1ccc2ccccc2c1 62a_100000750887_200025704644 [0,1,0,1,0,0|1,0,0]=3 12725 B17R2.5879 [13CH3]SCCCOc1ccc2ccccc2c1 62a_200025704644_100000750887 [0,1,0,1,0,0|1,0,0]=3 12726 B17R2.8343 O=C(C=Cc1ccccc1)CC2CCCC2 1458a_100000210462_100000740388 [0,1,0,1,0,0|1,0,0]=3 12727 B17R2.8343 O=C(C=Cc1ccccc1)CC2CCCO2 1458a_100000210462_100000203698 [0,1,0,1,0,0|1,0,0]=3 12728 B17R2.8343 O=C(C=Cc1ccccc1)CC2CCOC2 1458a_100000210462_100000702531 [0,1,0,1,0,0|1,0,0]=3 12729 B17R2.8343 O=C(C=Cc1ccccc1)CC2OCCO2 1458a_100000210462_100000755774 [0,1,0,1,0,0|2,0,0]=4 12730 B17R2.8343 O=C(C=Cc1ccccc1)NC2CC=CC2 11a_100015188752_100000210462 [0,1,0,1,0,0|1,0,1]=4 12731 B17R2.8343 O=C(C=Cc1ccccc1)NC2CC=CC2 1626a_100015188752_100000210462 [0,1,0,1,0,0|1,0,1]=4 12732 B17R2.8343 O=C(C=Cc1ccccc1)NC2CCCC2 11a_100000211070_100000210462 [0,1,0,1,0,0|1,0,0]=3 12733 B17R2.8343 O=C(C=Cc1ccccc1)NC2CCCC2 1626a_100000211070_100000210462 [0,1,0,1,0,0|1,0,0]=3 12734 B17R2.8343 O=C(C=Cc1ccccc1)N[C@H]2CCOC2 11a_100015188467_100000210462 [0,1,0,1,0,0|1,0,0]=3 12735 B17R2.8343 O=C(C=Cc1ccccc1)N[C@H]2CCOC2 1626a_100015188467_100000210462 [0,1,0,1,0,0|1,0,0]=3 12736 B17R2.8343 O=C(C=Cc1ccccn1)CC2CCCC2 1458a_100000740811_100000740388 [0,1,0,1,0,0|2,0,0]=4 12737 B17R2.8343 O=C(C=Cc1ccccn1)CC2CCCO2 1458a_100000740811_100000203698 [0,1,0,1,0,0|2,0,0]=4 12738 B17R2.8343 O=C(C=Cc1ccccn1)CC2CCOC2 1458a_100000740811_100000702531 [0,1,0,1,0,0|2,0,0]=4 12739 B17R2.8343 O=C(C=Cc1ccccn1)NC2CCCC2 11a_100000211070_100000740811 [0,1,0,1,0,0|2,0,0]=4 12740 B17R2.8343 O=C(C=Cc1ccccn1)NC2CCCC2 240690a_100000211070_100000740811 [0,1,0,1,0,0|2,0,0]=4 12741 B17R2.8343 O=C(C=Cc1ccccn1)N[C@@H]2CCOC2 240690a_200015188469_100000740811 [0,1,0,1,0,0|2,0,0]=4 12742 B17R2.8343 O=C(C=Cc1ccccn1)N[C@H]2CCOC2 11a_100015188467_100000740811 [0,1,0,1,0,0|2,0,0]=4 12743 B17R2.8343 O=C(C=Cc1ccccn1)N[C@H]2CCOC2 240690a_100015188467_100000740811 [0,1,0,1,0,0|2,0,0]=4 12744 B17R2.8343 O=C(C=Cc1cccnc1)CC2CCCC2 1458a_100000735890_100000740388 [0,1,0,1,0,0|2,0,0]=4 12745 B17R2.8343 O=C(C=Cc1cccnc1)CC2CCCO2 1458a_100000735890_100000203698 [0,1,0,1,0,0|2,0,0]=4 12746 B17R2.8343 O=C(C=Cc1cccnc1)CC2CCOC2 1458a_100000735890_100000702531 [0,1,0,1,0,0|2,0,0]=4 12747 B17R2.8343 O=C(C=Cc1cccnc1)NC2CCCC2 11a_100000211070_100000735890 [0,1,0,1,0,0|2,0,0]=4 12748 B17R2.8343 O=C(C=Cc1cccnc1)NC2CCCC2 240690a_100000211070_100000735890 [0,1,0,1,0,0|2,0,0]=4 12749 B17R2.8343 O=C(C=Cc1cccnc1)N[C@@H]2CCOC2 240690a_200015188469_100000735890 [0,1,0,1,0,0|2,0,0]=4 12750 B17R2.8343 O=C(C=Cc1cccnc1)N[C@H]2CCOC2 11a_100015188467_100000735890 [0,1,0,1,0,0|2,0,0]=4 12751 B17R2.8343 O=C(C=Cc1cccnc1)N[C@H]2CCOC2 240690a_100015188467_100000735890 [0,1,0,1,0,0|2,0,0]=4 12752 B17R2.8343 O=C(C=Cc1ccncc1)CC2CCCC2 1458a_100000682801_100000740388 [0,1,0,1,0,0|2,0,0]=4 12753 B17R2.8343 O=C(C=Cc1ccncc1)CC2CCCO2 1458a_100000682801_100000203698 [0,1,0,1,0,0|2,0,0]=4 12754 B17R2.8343 O=C(C=Cc1ccncc1)CC2CCOC2 1458a_100000682801_100000702531 [0,1,0,1,0,0|2,0,0]=4 12755 B17R2.8343 O=C(C=Cc1ccncc1)NC2CCCC2 240690a_100000211070_100000682801 [0,1,0,1,0,0|2,0,0]=4 12756 B17R2.8343 O=C(C=Cc1ccncc1)N[C@@H]2CCOC2 240690a_200015188469_100000682801 [0,1,0,1,0,0|2,0,0]=4 12757 B17R2.8343 O=C(C=Cc1ccncc1)N[C@H]2CCOC2 240690a_100015188467_100000682801 [0,1,0,1,0,0|2,0,0]=4 12758 B17R2.10256 CCCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210210 [0,1,0,1,0,0|2,0,0]=4 12759 B17R2.10256 CCCCNc1c(ccc2c1cccc2)C 34a_100000688109_100000210210 [0,1,0,1,0,0|2,0,0]=4 12760 B17R2.10256 CCCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210210 [0,1,0,1,0,0|2,0,0]=4 12761 B17R2.10256 CCCCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210210 [0,1,0,1,0,0|1,0,1]=4 12762 B17R2.10256 CCCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210210 [0,1,0,1,0,0|1,0,0]=3 12763 B17R2.10256 CCCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210211 [0,1,0,1,0,0|1,0,0]=3 12764 B17R2.10256 CCCCOc1c(ccc2c1cccc2)C 34a_100000039261_100000210210 [0,1,0,1,0,0|1,0,0]=3 12765 B17R2.10256 CCCCOc1c(ccc2c1cccc2)C 7a_100000039261_100000210211 [0,1,0,1,0,0|1,0,0]=3 12766 B17R2.10256 CCCCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210210 [0,1,0,1,0,0|1,0,0]=3 12767 B17R2.10256 CCCCOc1c(ccc2c1nccc2)Br 34a_100009816563_100000210210 [0,1,0,1,0,0|2,0,0]=4 12768 B17R2.10256 CCCCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100000210210 [0,1,0,1,0,0|2,0,0]=4 12769 B17R2.10256 CCCCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100000210211 [0,1,0,1,0,0|2,0,0]=4 12770 B17R2.10256 CCCCSc1c(ccc2c1cccc2)Br 62a_100000210211_100010090040 [0,1,0,1,0,0|1,1,0]=4 12771 B17R2.10256 CCCCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210210 [0,1,0,1,0,0|1,1,0]=4 12772 B17R2.10256 CCCCSc1c(ccc2c1cccc2)C 62a_100000210211_100000759710 [0,1,0,1,0,0|1,1,0]=4 12773 B17R2.10256 CCCCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210210 [0,1,0,1,0,0|1,1,0]=4 12774 B17R2.10256 CCCCSc1c(ccc2c1cccc2)N 62a_100000210211_100000705303 [0,1,0,1,0,0|1,1,0]=4 12775 B17R2.10256 CCCCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210210 [0,1,0,1,0,0|1,1,0]=4 12776 B17R2.10256 CCCCSc1c(ccc2c1cccc2)O 62a_100000210211_100000183829 [0,1,0,1,0,0|0,1,1]=4 12777 B17R2.10256 CCCNCc1c(ccc2c1cccc2)Br 207a_100020643023_100010090029 [0,1,0,1,0,0|2,0,0]=4 12778 B17R2.10256 CCCNCc1c(ccc2c1cccc2)Br 270004a_100020643023_100010090029 [0,1,0,1,0,0|2,0,0]=4 12779 B17R2.10256 CCCNCc1c(ccc2c1cccc2)C 207a_100020643023_100011361466 [0,1,0,1,0,0|2,0,0]=4 12780 B17R2.10256 CCCNCc1c(ccc2c1cccc2)C 270004a_100020643023_100011361466 [0,1,0,1,0,0|2,0,0]=4 12781 B17R2.10256 CCCOCc1c(ccc2c1cccc2)C 34a_100000210258_100000689653 [0,1,0,1,0,0|2,0,0]=4 12782 B17R2.10256 CCCSCc1c(ccc2c1cccc2)C 62a_100000210303_100000689653 [0,1,0,1,0,0|2,0,0]=4 12783 B17R2.10256 CCCSCc1c(ccc2c1cccc2)C 62a_100000689653_100000210303 [0,1,0,1,0,0|2,0,0]=4 12784 B17R2.10256 COCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100011201679 [0,1,0,1,0,0|2,0,0]=4 12785 B17R2.10256 COCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000233755 [0,1,0,1,0,0|2,0,0]=4 12786 B17R2.10256 COCCOc1c(ccc2c1cccc2)C 34a_100000039261_100011201679 [0,1,0,1,0,0|2,0,0]=4 12787 B17R2.10256 COCCOc1c(ccc2c1cccc2)C 7a_100000039261_100000233755 [0,1,0,1,0,0|2,0,0]=4 12788 B17R2.10256 COCCOc1c(ccc2c1cccc2)N 34a_100000007060_100011201679 [0,1,0,1,0,0|2,0,0]=4 12789 B17R2.10256 CSCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000212216 [0,1,0,1,0,0|2,0,0]=4 12790 B17R2.10256 CSCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000212216 [0,1,0,1,0,0|2,0,0]=4 12791 B17R2.10256 CSCCOc1c(ccc2c1cccc2)C 34a_100000039261_100000212216 [0,1,0,1,0,0|2,0,0]=4 12792 B17R2.10256 CSCCOc1c(ccc2c1cccc2)C 7a_100000039261_100000212216 [0,1,0,1,0,0|2,0,0]=4 12793 B17R2.10256 CSCCOc1c(ccc2c1cccc2)N 34a_100000007060_100000212216 [0,1,0,1,0,0|2,0,0]=4 12794 B17R2.10256 Cc1ccc2ccccc2c1OCCCF 34a_100000039261_100011934791 [0,1,0,1,0,0|2,0,0]=4 12795 B17R2.10256 Cc1ccc2ccccc2c1OCCCF 7a_100000039261_100011934791 [0,1,0,1,0,0|2,0,0]=4 12796 B17R2.10256 Cc1ccc2ccccc2c1OCCCO 34a_100000039261_100000230001 [0,1,0,1,0,0|2,0,0]=4 12797 B17R2.10256 Cc1ccc2ccccc2c1OCCCO 7a_100000039261_100011215043 [0,1,0,1,0,0|2,0,0]=4 12798 B17R2.10256 FCCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100011934791 [0,1,0,1,0,0|2,0,0]=4 12799 B17R2.10256 FCCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100011934791 [0,1,0,1,0,0|2,0,0]=4 12800 B17R2.10256 Nc1ccc2ccccc2c1OCCCF 34a_100000007060_100011934791 [0,1,0,1,0,0|2,0,0]=4 12801 B17R2.10256 Nc1ccc2ccccc2c1OCCCO 34a_100000007060_100000230001 [0,1,0,1,0,0|2,0,0]=4 12802 B17R2.10256 OCCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000230001 [0,1,0,1,0,0|2,0,0]=4 12803 B17R2.10256 OCCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100011215043 [0,1,0,1,0,0|2,0,0]=4 12804 B17R2.76752 CC(=NNC1CCC1)C=Cc2ccccc2 4a_100000736358_100000204604 [0,1,0,1,0,0|2,0,0]=4 12805 B17R2.76752 O=C(C=Cc1ccccc1)NCC2CCC2 11a_100000738700_100000210462 [0,1,0,1,0,0|1,0,0]=3 12806 B17R2.76752 O=C(C=Cc1ccccc1)NCC2CCC2 1626a_100000738700_100000210462 [0,1,0,1,0,0|1,0,0]=3 12807 B17R2.76752 O=C(C=Cc1ccccc1)NCC2COC2 11a_100015281925_100000210462 [0,1,0,1,0,0|1,0,0]=3 12808 B17R2.76752 O=C(C=Cc1ccccc1)NCC2COC2 1626a_100015281925_100000210462 [0,1,0,1,0,0|1,0,0]=3 12809 B17R2.76752 O=C(C=Cc1ccccc1)NC[C@@H]2CCO2 11a_100020831831_100000210462 [0,1,0,1,0,0|1,0,0]=3 12810 B17R2.76752 O=C(C=Cc1ccccc1)NC[C@@H]2CCO2 1626a_100020831831_100000210462 [0,1,0,1,0,0|1,0,0]=3 12811 B17R2.76752 O=C(C=Cc1ccccc1)NNC2CCC2 22a_100000736358_100000210462 [0,1,0,1,0,0|1,0,0]=3 12812 B17R2.76752 O=C(C=Cc1ccccc1)NNC2COC2 22a_100015188821_100000210462 [0,1,0,1,0,0|2,0,0]=4 12813 B17R2.76752 O=C(C=Cc1ccccn1)NCC2CCC2 11a_100000738700_100000740811 [0,1,0,1,0,0|2,0,0]=4 12814 B17R2.76752 O=C(C=Cc1ccccn1)NCC2CCC2 240690a_100000738700_100000740811 [0,1,0,1,0,0|2,0,0]=4 12815 B17R2.76752 O=C(C=Cc1ccccn1)NCC2COC2 11a_100015281925_100000740811 [0,1,0,1,0,0|2,0,0]=4 12816 B17R2.76752 O=C(C=Cc1ccccn1)NCC2COC2 240690a_100015281925_100000740811 [0,1,0,1,0,0|2,0,0]=4 12817 B17R2.76752 O=C(C=Cc1ccccn1)NC[C@@H]2CCO2 11a_100020831831_100000740811 [0,1,0,1,0,0|2,0,0]=4 12818 B17R2.76752 O=C(C=Cc1ccccn1)NC[C@@H]2CCO2 240690a_100020831831_100000740811 [0,1,0,1,0,0|2,0,0]=4 12819 B17R2.76752 O=C(C=Cc1ccccn1)NNC2CCC2 22a_100000736358_100000740811 [0,1,0,1,0,0|2,0,0]=4 12820 B17R2.76752 O=C(C=Cc1cccnc1)NCC2CCC2 11a_100000738700_100000735890 [0,1,0,1,0,0|2,0,0]=4 12821 B17R2.76752 O=C(C=Cc1cccnc1)NCC2CCC2 240690a_100000738700_100000735890 [0,1,0,1,0,0|2,0,0]=4 12822 B17R2.76752 O=C(C=Cc1cccnc1)NCC2COC2 11a_100015281925_100000735890 [0,1,0,1,0,0|2,0,0]=4 12823 B17R2.76752 O=C(C=Cc1cccnc1)NCC2COC2 240690a_100015281925_100000735890 [0,1,0,1,0,0|2,0,0]=4 12824 B17R2.76752 O=C(C=Cc1cccnc1)NC[C@@H]2CCO2 11a_100020831831_100000735890 [0,1,0,1,0,0|2,0,0]=4 12825 B17R2.76752 O=C(C=Cc1cccnc1)NC[C@@H]2CCO2 240690a_100020831831_100000735890 [0,1,0,1,0,0|2,0,0]=4 12826 B17R2.76752 O=C(C=Cc1cccnc1)NNC2CCC2 22a_100000736358_100000735890 [0,1,0,1,0,0|2,0,0]=4 12827 B17R2.76752 O=C(C=Cc1ccncc1)NCC2CCC2 240690a_100000738700_100000682801 [0,1,0,1,0,0|2,0,0]=4 12828 B17R2.76752 O=C(C=Cc1ccncc1)NCC2COC2 240690a_100015281925_100000682801 [0,1,0,1,0,0|2,0,0]=4 12829 B17R2.76752 O=C(C=Cc1ccncc1)NC[C@@H]2CCO2 240690a_100020831831_100000682801 [0,1,0,1,0,0|2,0,0]=4 12830 B17R2.76752 O=C(C=Cc1ccncc1)NNC2CCC2 22a_100000736358_100000682801 [0,1,0,1,0,0|2,0,0]=4 12831 B17R2.76752 O=C(CCc1ccccc1)COC2CCC2 34a_100000748187_100012361361 [0,1,0,1,0,0|0,0,2]=4 12832 B17R2.76752 O=C(COC1CCC1)NCc2ccccc2 34a_100000748187_100000183539 [0,1,0,1,0,0|1,0,1]=4 12833 B17R2.76752 O=C(COC1CCC1)OCc2ccccc2 34a_100000748187_100000753625 [0,1,0,1,0,0|1,0,1]=4 12834 B17R2.539923 CCCCOCC(=O)C1Cc2c1cccc2 1458a_200000238571_100011995733 [0,1,0,1,0,0|0,0,2]=4 12835 B17R2.2322 CCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210326 [0,1,0,1,0,0|1,0,0]=3 12836 B17R2.2322 CCCCNC(=O)C1=Cc2ccccc2C1 11a_100000102301_100009862756 [0,1,0,1,0,0|1,0,0]=3 12837 B17R2.2322 CCCCNC(=O)C1=Cc2ccccc2C1 1626a_100000102301_100009862756 [0,1,0,1,0,0|1,0,0]=3 12838 B17R2.2322 CCCCNC(=O)C1=Cc2ccccc2C1 240690a_100000102301_100009862756 [0,1,0,1,0,0|1,0,0]=3 12839 B17R2.2322 CCCCOC(C)c1cc2ccccc2o1 34a_100000198572_100000210210 [0,1,0,1,0,0|1,0,1]=4 12840 B17R2.2322 CCCCOC(C)c1cc2ccccc2o1 7a_100000198572_100000210211 [0,1,0,1,0,0|1,0,1]=4 12841 B17R2.2322 CCCNNC(=O)C1=Cc2ccccc2C1 22a_100000740057_100009862756 [0,1,0,1,0,0|2,0,0]=4 12842 B17R2.2322 CCCSCC(=O)c1cc2ccccc2o1 62a_100000210303_100000209828 [0,1,0,1,0,0|2,0,0]=4 12843 B17R2.2322 CCCSCC(=O)c1cc2ccccc2s1 62a_100012351422_100000210303 [0,1,0,1,0,0|2,0,0]=4 12844 B17R2.2322 CCOCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100011215890 [0,1,0,1,0,0|2,0,0]=4 12845 B17R2.2322 CCSCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000757381 [0,1,0,1,0,0|2,0,0]=4 12846 B17R2.2322 COCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000740836 [0,1,0,1,0,0|2,0,0]=4 12847 B17R2.2322 COCCNC(=O)C1=Cc2ccccc2C1 1626a_100000209980_100009862756 [0,1,0,1,0,0|2,0,0]=4 12848 B17R2.2322 COCCNC(=O)C1=Cc2ccccc2C1 240690a_100000209980_100009862756 [0,1,0,1,0,0|2,0,0]=4 12849 B17R2.2322 CSCCNC(=O)C1=Cc2ccccc2C1 11a_100020590264_100009862756 [0,1,0,1,0,0|2,0,0]=4 12850 B17R2.2322 CSCCNC(=O)C1=Cc2ccccc2C1 1626a_100020590264_100009862756 [0,1,0,1,0,0|2,0,0]=4 12851 B17R2.2322 CSCCNC(=O)C1=Cc2ccccc2C1 240690a_100020590264_100009862756 [0,1,0,1,0,0|2,0,0]=4 12852 B17R2.2322 O=C(CCCCF)C1=Cc2ccccc2C1 1458a_100009862756_100000729493 [0,1,0,1,0,0|2,0,0]=4 12853 B17R2.2322 O=C(CCCCO)C1=Cc2ccccc2C1 1458a_100009862756_100000210776 [0,1,0,1,0,0|2,0,0]=4 12854 B17R2.2322 O=C(NCCCF)C1=Cc2ccccc2C1 11a_100015189416_100009862756 [0,1,0,1,0,0|2,0,0]=4 12855 B17R2.2322 O=C(NCCCF)C1=Cc2ccccc2C1 1626a_100015189416_100009862756 [0,1,0,1,0,0|2,0,0]=4 12856 B17R2.2322 O=C(NCCCF)C1=Cc2ccccc2C1 240690a_100015189416_100009862756 [0,1,0,1,0,0|2,0,0]=4 12857 B17R2.2322 O=C(NCCCO)C1=Cc2ccccc2C1 240690a_100000182051_100009862756 [0,1,0,1,0,0|2,0,0]=4 12858 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@@H]2F 527a_100015190264_100016990649 [0,1,0,1,0,0|2,0,0]=4 12859 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@H]2F 11a_100025746932_100016990649 [0,1,0,1,0,0|2,0,0]=4 12860 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100016990649 [0,1,0,1,0,0|2,0,0]=4 12861 B17R2.3912 C/C(=C\c1ccccc1)/C(=O)N[C@@H]2C[C@H]2F 527a_100025746932_100016990649 [0,1,0,1,0,0|2,0,0]=4 12862 B17R2.3912 O=C(N[C@@H]1C[C@@H]1F)/C(=C/c2ccccc2)/Cl 240690a_100015190264_200020598536 [0,1,0,1,0,0|2,0,0]=4 12863 B17R2.3912 O=C(N[C@@H]1C[C@@H]1F)/C(=C/c2ccccc2)/Cl 527a_100015190264_200020598536 [0,1,0,1,0,0|2,0,0]=4 12864 B17R2.3912 O=C(N[C@@H]1C[C@@H]1F)/C(=C\c2ccccc2)/F 527a_100015190264_100020889036 [0,1,0,1,0,0|2,0,0]=4 12865 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 11a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 12866 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 1626a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 12867 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 240690a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 12868 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C/c2ccccc2)/Cl 527a_100025746932_200020598536 [0,1,0,1,0,0|2,0,0]=4 12869 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C\c2ccccc2)/F 11a_100025746932_100020889036 [0,1,0,1,0,0|2,0,0]=4 12870 B17R2.3912 O=C(N[C@@H]1C[C@H]1F)/C(=C\c2ccccc2)/F 527a_100025746932_100020889036 [0,1,0,1,0,0|2,0,0]=4 12871 B17R2.5325 C/C(=C\c1ccccc1)/C(=O)N2CCC2C 11a_100000755817_100016990649 [0,1,0,1,0,0|1,0,0]=3 12872 B17R2.5325 C/C(=C\c1ccccc1)/C(=O)N2CCC2C 527a_100000755817_100016990649 [0,1,0,1,0,0|1,0,0]=3 12873 B17R2.5325 C/C(=C\c1ccccn1)/C(=O)N2CCC2C 11a_100000755817_100025712827 [0,1,0,1,0,0|2,0,0]=4 12874 B17R2.5325 C/C(=C\c1ccccn1)/C(=O)N2CCC2C 527a_100000755817_100025712827 [0,1,0,1,0,0|2,0,0]=4 12875 B17R2.5325 C=C(Cc1ccccc1)C(=O)N2CCC2C 11a_100000755817_100000066491 [0,1,0,1,0,0|1,0,1]=4 12876 B17R2.5325 CC1CCN1C(=O)/C(=C/c2ccccc2)/Cl 11a_100000755817_200020598536 [0,1,0,1,0,0|1,0,0]=3 12877 B17R2.5325 CC1CCN1C(=O)/C(=C/c2ccccc2)/Cl 240690a_100000755817_200020598536 [0,1,0,1,0,0|1,0,0]=3 12878 B17R2.5325 CC1CCN1C(=O)/C(=C/c2ccccc2)/Cl 527a_100000755817_200020598536 [0,1,0,1,0,0|1,0,0]=3 12879 B17R2.5325 CC1CCN1C(=O)/C(=C\c2ccccc2)/F 11a_100000755817_100020889036 [0,1,0,1,0,0|1,0,0]=3 12880 B17R2.5325 CC1CCN1C(=O)/C(=C\c2ccccc2)/F 527a_100000755817_100020889036 [0,1,0,1,0,0|1,0,0]=3 12881 B17R2.5325 CC1CCN1C(=O)C(=Cc2cccnc2)F 11a_100000755817_100000731744 [0,1,0,1,0,0|2,0,0]=4 12882 B17R2.5325 CC1CCN1C(=O)C(=Cc2cccnc2)F 240690a_100000755817_100000731744 [0,1,0,1,0,0|2,0,0]=4 12883 B17R2.5325 CC1CCN1C(=O)C(=Cc2cccnc2)F 527a_100000755817_100000731744 [0,1,0,1,0,0|2,0,0]=4 12884 B17R2.5325 CC1CCN1C(=O)C(=O)Nc2ccccc2 240690a_100000755817_100000738435 [0,1,0,1,0,0|2,0,0]=4 12885 B17R2.5722 C/C(=C\c1ccccc1)/C(=O)C2CCCC2 1458a_100016990649_100000179811 [0,1,0,1,0,0|1,0,0]=3 12886 B17R2.5722 C/C(=C\c1ccccc1)/C(=O)C2CCOC2 1458a_100016990649_100000690089 [0,1,0,1,0,0|2,0,0]=4 12887 B17R2.5722 C/C(=C\c1ccccc1)/C(=O)N2CCCC2 527a_100000188435_100016990649 [0,1,0,1,0,0|1,0,0]=3 12888 B17R2.5722 C/C(=C\c1ccccc1)/C(=O)N2CCSC2 11a_100011215254_100016990649 [0,1,0,1,0,0|2,0,0]=4 12889 B17R2.5722 C/C(=C\c1ccccc1)/C(=O)N2CCSC2 527a_100011215254_100016990649 [0,1,0,1,0,0|2,0,0]=4 12890 B17R2.5722 C/C(=C\c1ccccn1)/C(=O)C2CCCC2 1458a_100025712827_100000179811 [0,1,0,1,0,0|2,0,0]=4 12891 B17R2.5722 C/C(=C\c1ccccn1)/C(=O)N2CCCC2 527a_100000188435_100025712827 [0,1,0,1,0,0|2,0,0]=4 12892 B17R2.5722 O=C(/C(=C/c1ccccc1)/Cl)C2CCCC2 1458a_200020598536_100000179811 [0,1,0,1,0,0|1,0,0]=3 12893 B17R2.5722 O=C(/C(=C/c1ccccc1)/Cl)C2CCOC2 1458a_200020598536_100000690089 [0,1,0,1,0,0|2,0,0]=4 12894 B17R2.5722 O=C(/C(=C/c1ccccc1)/Cl)N2CCCC2 240690a_100000188435_200020598536 [0,1,0,1,0,0|1,0,0]=3 12895 B17R2.5722 O=C(/C(=C/c1ccccc1)/Cl)N2CCCC2 527a_100000188435_200020598536 [0,1,0,1,0,0|1,0,0]=3 12896 B17R2.5722 O=C(/C(=C/c1ccccc1)/Cl)N2CCSC2 11a_100011215254_200020598536 [0,1,0,1,0,0|2,0,0]=4 12897 B17R2.5722 O=C(/C(=C/c1ccccc1)/Cl)N2CCSC2 240690a_100011215254_200020598536 [0,1,0,1,0,0|2,0,0]=4 12898 B17R2.5722 O=C(/C(=C/c1ccccc1)/Cl)N2CCSC2 527a_100011215254_200020598536 [0,1,0,1,0,0|2,0,0]=4 12899 B17R2.5722 O=C(/C(=C\c1ccccc1)/F)C2CCCC2 1458a_100020889036_100000179811 [0,1,0,1,0,0|1,0,0]=3 12900 B17R2.5722 O=C(/C(=C\c1ccccc1)/F)C2CCOC2 1458a_100020889036_100000690089 [0,1,0,1,0,0|2,0,0]=4 12901 B17R2.5722 O=C(/C(=C\c1ccccc1)/F)N2CCCC2 527a_100000188435_100020889036 [0,1,0,1,0,0|1,0,0]=3 12902 B17R2.5722 O=C(/C(=C\c1ccccc1)/F)N2CCSC2 11a_100011215254_100020889036 [0,1,0,1,0,0|2,0,0]=4 12903 B17R2.5722 O=C(/C(=C\c1ccccc1)/F)N2CCSC2 527a_100011215254_100020889036 [0,1,0,1,0,0|2,0,0]=4 12904 B17R2.5722 O=C(C(=Cc1cccnc1)F)C2CCCC2 1458a_100000731744_100000179811 [0,1,0,1,0,0|2,0,0]=4 12905 B17R2.5722 O=C(C(=Cc1cccnc1)F)N2CCCC2 240690a_100000188435_100000731744 [0,1,0,1,0,0|2,0,0]=4 12906 B17R2.5722 O=C(C(=Cc1cccnc1)F)N2CCCC2 527a_100000188435_100000731744 [0,1,0,1,0,0|2,0,0]=4 12907 B17R2.5722 O=C(Nc1ccccc1)C(=O)C2CCCC2 1458a_100000738435_100000179811 [0,1,0,1,0,0|2,0,0]=4 12908 B17R2.5722 O=C(Nc1ccccc1)C(=O)N2CCCC2 240690a_100000188435_100000738435 [0,1,0,1,0,0|2,0,0]=4 12909 B17R2.12116 CCCCNc1cc2ccccc2cc1Br 34a_100009991566_100000210210 [0,1,0,1,0,0|2,0,0]=4 12910 B17R2.12116 CCCCNc1cc2ccccc2cc1Br 7a_100009991566_100000210211 [0,1,0,1,0,0|2,0,0]=4 12911 B17R2.12116 CCCCNc1nc2ccccc2cc1C 27a_100000102301_100000751756 [0,1,0,1,0,0|2,0,0]=4 12912 B17R2.12116 CCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000210210 [0,1,0,1,0,0|1,0,0]=3 12913 B17R2.12116 CCCCOc1cc2ccccc2cc1Br 7a_100009817189_100000210211 [0,1,0,1,0,0|1,0,0]=3 12914 B17R2.12116 CCCCOc1cc2ccccc2cc1C 34a_100000091601_100000210210 [0,1,0,1,0,0|1,0,0]=3 12915 B17R2.12116 CCCCOc1cc2ccccc2cc1C 7a_100000091601_100000210211 [0,1,0,1,0,0|1,0,0]=3 12916 B17R2.12116 CCCCOc1cc2ccccc2cc1N 34a_106744474703_100000210210 [0,1,0,1,0,0|1,0,0]=3 12917 B17R2.12116 CCCCOc1cc2ccccc2cc1N 7a_106744474703_100000210211 [0,1,0,1,0,0|1,0,0]=3 12918 B17R2.12116 CCCCOc1cc2ccccc2nc1C 34a_200000079175_100000210210 [0,1,0,1,0,0|2,0,0]=4 12919 B17R2.12116 CCCCOc1cc2ccccc2nc1C 7a_200000079175_100000210211 [0,1,0,1,0,0|2,0,0]=4 12920 B17R2.12116 CCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210210 [0,1,0,1,0,0|2,0,0]=4 12921 B17R2.12116 CCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210211 [0,1,0,1,0,0|2,0,0]=4 12922 B17R2.12116 CCCCOc1cc2ccccc2oc1=O 7a_100000061252_100000210211 [0,1,0,1,0,0|2,0,0]=4 12923 B17R2.12116 CCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000210210 [0,1,0,1,0,0|2,0,0]=4 12924 B17R2.12116 CCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000210211 [0,1,0,1,0,0|2,0,0]=4 12925 B17R2.12116 CCCCSc1cc2ccccc2cc1Br 62a_100000210211_200010169544 [0,1,0,1,0,0|1,1,0]=4 12926 B17R2.12116 CCCCSc1cc2ccccc2cc1Br 62a_200010169544_100000210210 [0,1,0,1,0,0|1,1,0]=4 12927 B17R2.12116 CCCCSc1cc2ccccc2cc1Cl 62a_100000210211_100010152806 [0,1,0,1,0,0|1,1,0]=4 12928 B17R2.12116 CCCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210210 [0,1,0,1,0,0|1,1,0]=4 12929 B17R2.12116 CCCCSc1cc2ccccc2cc1N 62a_100000210211_100009991566 [0,1,0,1,0,0|1,1,0]=4 12930 B17R2.12116 CCCCSc1cc2ccccc2cc1N 62a_100009991566_100000210210 [0,1,0,1,0,0|1,1,0]=4 12931 B17R2.12116 CCCCSc1cc2ccccc2cc1O 62a_100000210211_100009817189 [0,1,0,1,0,0|1,1,0]=4 12932 B17R2.12116 CCCCSc1nc2ccccc2cc1Br 62a_100000210211_100010072790 [0,1,0,1,0,0|1,1,0]=4 12933 B17R2.12116 CCCCSc1nc2ccccc2cc1Br 62a_100010072790_100000210210 [0,1,0,1,0,0|1,1,0]=4 12934 B17R2.12116 CCCCSc1nc2ccccc2cc1C 62a_100000210211_100000751756 [0,1,0,1,0,0|1,1,0]=4 12935 B17R2.12116 CCCCSc1nc2ccccc2cc1O 62a_100000210211_200000100762 [0,1,0,1,0,0|1,1,0]=4 12936 B17R2.12116 COCCOc1cc2ccccc2cc1Br 34a_100009817189_100011201679 [0,1,0,1,0,0|2,0,0]=4 12937 B17R2.12116 COCCOc1cc2ccccc2cc1Br 7a_100009817189_100000233755 [0,1,0,1,0,0|2,0,0]=4 12938 B17R2.12116 COCCOc1cc2ccccc2cc1C 34a_100000091601_100011201679 [0,1,0,1,0,0|2,0,0]=4 12939 B17R2.12116 COCCOc1cc2ccccc2cc1C 7a_100000091601_100000233755 [0,1,0,1,0,0|2,0,0]=4 12940 B17R2.12116 COCCOc1cc2ccccc2cc1N 34a_106744474703_100011201679 [0,1,0,1,0,0|2,0,0]=4 12941 B17R2.12116 COCCOc1cc2ccccc2cc1N 7a_106744474703_100000233755 [0,1,0,1,0,0|2,0,0]=4 12942 B17R2.12116 CSCCOc1cc2ccccc2cc1Br 34a_100009817189_100000212216 [0,1,0,1,0,0|2,0,0]=4 12943 B17R2.12116 CSCCOc1cc2ccccc2cc1Br 7a_100009817189_100000212216 [0,1,0,1,0,0|2,0,0]=4 12944 B17R2.12116 CSCCOc1cc2ccccc2cc1C 34a_100000091601_100000212216 [0,1,0,1,0,0|2,0,0]=4 12945 B17R2.12116 CSCCOc1cc2ccccc2cc1C 7a_100000091601_100000212216 [0,1,0,1,0,0|2,0,0]=4 12946 B17R2.12116 CSCCOc1cc2ccccc2cc1N 34a_106744474703_100000212216 [0,1,0,1,0,0|2,0,0]=4 12947 B17R2.12116 CSCCOc1cc2ccccc2cc1N 7a_106744474703_100000212216 [0,1,0,1,0,0|2,0,0]=4 12948 B17R2.12116 Cc1cc2ccccc2cc1OCCCF 34a_100000091601_100011934791 [0,1,0,1,0,0|2,0,0]=4 12949 B17R2.12116 Cc1cc2ccccc2cc1OCCCF 7a_100000091601_100011934791 [0,1,0,1,0,0|2,0,0]=4 12950 B17R2.12116 Cc1cc2ccccc2cc1OCCCO 34a_100000091601_100000230001 [0,1,0,1,0,0|2,0,0]=4 12951 B17R2.12116 Cc1cc2ccccc2cc1OCCCO 7a_100000091601_100011215043 [0,1,0,1,0,0|2,0,0]=4 12952 B17R2.12116 FCCCOc1cc2ccccc2cc1Br 34a_100009817189_100011934791 [0,1,0,1,0,0|2,0,0]=4 12953 B17R2.12116 FCCCOc1cc2ccccc2cc1Br 7a_100009817189_100011934791 [0,1,0,1,0,0|2,0,0]=4 12954 B17R2.12116 Nc1cc2ccccc2cc1OCCCF 34a_106744474703_100011934791 [0,1,0,1,0,0|2,0,0]=4 12955 B17R2.12116 Nc1cc2ccccc2cc1OCCCF 7a_106744474703_100011934791 [0,1,0,1,0,0|2,0,0]=4 12956 B17R2.12116 Nc1cc2ccccc2cc1OCCCO 34a_106744474703_100000230001 [0,1,0,1,0,0|2,0,0]=4 12957 B17R2.12116 Nc1cc2ccccc2cc1OCCCO 7a_106744474703_100011215043 [0,1,0,1,0,0|2,0,0]=4 12958 B17R2.12116 OCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000230001 [0,1,0,1,0,0|2,0,0]=4 12959 B17R2.12116 OCCCOc1cc2ccccc2cc1Br 7a_100009817189_100011215043 [0,1,0,1,0,0|2,0,0]=4 12960 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)CCC2CC2 1458a_100016990649_100000694398 [0,1,0,1,0,0|1,0,0]=3 12961 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)CCC2CO2 1458a_100016990649_100000732470 [0,1,0,1,0,0|2,0,0]=4 12962 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NCC2CC2 11a_100000735609_100016990649 [0,1,0,1,0,0|1,0,0]=3 12963 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NCC2CC2 1626a_100000735609_100016990649 [0,1,0,1,0,0|1,0,0]=3 12964 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NCC2CC2 527a_100000735609_100016990649 [0,1,0,1,0,0|1,0,0]=3 12965 B17R2.45673 C/C(=C\c1ccccc1)/C(=O)NNC2CC2 22a_100000701032_100016990649 [0,1,0,1,0,0|2,0,0]=4 12966 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)CCC2CC2 1458a_100025712827_100000694398 [0,1,0,1,0,0|2,0,0]=4 12967 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)NCC2CC2 11a_100000735609_100025712827 [0,1,0,1,0,0|2,0,0]=4 12968 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)NCC2CC2 1626a_100000735609_100025712827 [0,1,0,1,0,0|2,0,0]=4 12969 B17R2.45673 C/C(=C\c1ccccn1)/C(=O)NCC2CC2 527a_100000735609_100025712827 [0,1,0,1,0,0|2,0,0]=4 12970 B17R2.45673 C=C(Cc1ccccc1)C(=O)NCC2CC2 11a_100000735609_100000066491 [0,1,0,1,0,0|1,0,1]=4 12971 B17R2.45673 C=C(Cc1ccccc1)C(=O)NCC2CC2 1626a_100000735609_100000066491 [0,1,0,1,0,0|1,0,1]=4 12972 B17R2.45673 O=C(CCC1CC1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000694398 [0,1,0,1,0,0|1,0,0]=3 12973 B17R2.45673 O=C(CCC1CC1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000694398 [0,1,0,1,0,0|1,0,0]=3 12974 B17R2.45673 O=C(CCC1CC1)C(=Cc2cccnc2)F 1458a_100000731744_100000694398 [0,1,0,1,0,0|2,0,0]=4 12975 B17R2.45673 O=C(CCC1CC1)C(=O)Nc2ccccc2 1458a_100000738435_100000694398 [0,1,0,1,0,0|2,0,0]=4 12976 B17R2.45673 O=C(CCC1CO1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000732470 [0,1,0,1,0,0|2,0,0]=4 12977 B17R2.45673 O=C(CCC1CO1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000732470 [0,1,0,1,0,0|2,0,0]=4 12978 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 11a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 12979 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 1626a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 12980 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 240690a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 12981 B17R2.45673 O=C(NCC1CC1)/C(=C/c2ccccc2)/Cl 527a_100000735609_200020598536 [0,1,0,1,0,0|1,0,0]=3 12982 B17R2.45673 O=C(NCC1CC1)/C(=C\c2ccccc2)/F 11a_100000735609_100020889036 [0,1,0,1,0,0|1,0,0]=3 12983 B17R2.45673 O=C(NCC1CC1)/C(=C\c2ccccc2)/F 527a_100000735609_100020889036 [0,1,0,1,0,0|1,0,0]=3 12984 B17R2.45673 O=C(NCC1CC1)C(=Cc2cccnc2)F 11a_100000735609_100000731744 [0,1,0,1,0,0|2,0,0]=4 12985 B17R2.45673 O=C(NCC1CC1)C(=Cc2cccnc2)F 240690a_100000735609_100000731744 [0,1,0,1,0,0|2,0,0]=4 12986 B17R2.45673 O=C(NCC1CC1)C(=Cc2cccnc2)F 527a_100000735609_100000731744 [0,1,0,1,0,0|2,0,0]=4 12987 B17R2.45673 O=C(NCC1CC1)C(=O)Nc2ccccc2 240690a_100000735609_100000738435 [0,1,0,1,0,0|2,0,0]=4 12988 B17R2.45673 O=C(NNC1CC1)/C(=C/c2ccccc2)/Cl 22a_100000701032_200020598536 [0,1,0,1,0,0|2,0,0]=4 12989 B17R2.45673 O=C(NNC1CC1)/C(=C\c2ccccc2)/F 22a_100000701032_100020889036 [0,1,0,1,0,0|2,0,0]=4 12990 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)CC2CCC2 1458a_100016990649_100000763275 [0,1,0,1,0,0|1,0,0]=3 12991 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)CC2CCO2 1458a_100016990649_100000103362 [0,1,0,1,0,0|2,0,0]=4 12992 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)CC2COC2 1458a_100016990649_100010264016 [0,1,0,1,0,0|2,0,0]=4 12993 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2CCC2 11a_100000749019_100016990649 [0,1,0,1,0,0|1,0,0]=3 12994 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2CCC2 1626a_100000749019_100016990649 [0,1,0,1,0,0|1,0,0]=3 12995 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2CCC2 527a_100000749019_100016990649 [0,1,0,1,0,0|1,0,0]=3 12996 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2COC2 11a_100016991112_100016990649 [0,1,0,1,0,0|2,0,0]=4 12997 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2COC2 1626a_100016991112_100016990649 [0,1,0,1,0,0|2,0,0]=4 12998 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2COC2 527a_100016991112_100016990649 [0,1,0,1,0,0|2,0,0]=4 12999 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2CSC2 11a_100016994217_100016990649 [0,1,0,1,0,0|2,0,0]=4 13000 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2CSC2 1626a_100016994217_100016990649 [0,1,0,1,0,0|2,0,0]=4 13001 B17R2.295445 C/C(=C\c1ccccc1)/C(=O)NC2CSC2 527a_100016994217_100016990649 [0,1,0,1,0,0|2,0,0]=4 13002 B17R2.295445 C/C(=C\c1ccccn1)/C(=O)CC2CCC2 1458a_100025712827_100000763275 [0,1,0,1,0,0|2,0,0]=4 13003 B17R2.295445 C/C(=C\c1ccccn1)/C(=O)NC2CCC2 11a_100000749019_100025712827 [0,1,0,1,0,0|2,0,0]=4 13004 B17R2.295445 C/C(=C\c1ccccn1)/C(=O)NC2CCC2 1626a_100000749019_100025712827 [0,1,0,1,0,0|2,0,0]=4 13005 B17R2.295445 C/C(=C\c1ccccn1)/C(=O)NC2CCC2 527a_100000749019_100025712827 [0,1,0,1,0,0|2,0,0]=4 13006 B17R2.295445 C=C(Cc1ccccc1)C(=O)NC2CCC2 11a_100000749019_100000066491 [0,1,0,1,0,0|1,0,1]=4 13007 B17R2.295445 C=C(Cc1ccccc1)C(=O)NC2CCC2 1626a_100000749019_100000066491 [0,1,0,1,0,0|1,0,1]=4 13008 B17R2.295445 O=C(CC1CCC1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000763275 [0,1,0,1,0,0|1,0,0]=3 13009 B17R2.295445 O=C(CC1CCC1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000763275 [0,1,0,1,0,0|1,0,0]=3 13010 B17R2.295445 O=C(CC1CCC1)C(=Cc2cccnc2)F 1458a_100000731744_100000763275 [0,1,0,1,0,0|2,0,0]=4 13011 B17R2.295445 O=C(CC1CCC1)C(=O)Nc2ccccc2 1458a_100000738435_100000763275 [0,1,0,1,0,0|2,0,0]=4 13012 B17R2.295445 O=C(CC1CCO1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000103362 [0,1,0,1,0,0|2,0,0]=4 13013 B17R2.295445 O=C(CC1CCO1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000103362 [0,1,0,1,0,0|2,0,0]=4 13014 B17R2.295445 O=C(CC1COC1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100010264016 [0,1,0,1,0,0|2,0,0]=4 13015 B17R2.295445 O=C(CC1COC1)/C(=C\c2ccccc2)/F 1458a_100020889036_100010264016 [0,1,0,1,0,0|2,0,0]=4 13016 B17R2.295445 O=C(NC1CCC1)/C(=C/c2ccccc2)/Cl 11a_100000749019_200020598536 [0,1,0,1,0,0|1,0,0]=3 13017 B17R2.295445 O=C(NC1CCC1)/C(=C/c2ccccc2)/Cl 1626a_100000749019_200020598536 [0,1,0,1,0,0|1,0,0]=3 13018 B17R2.295445 O=C(NC1CCC1)/C(=C/c2ccccc2)/Cl 240690a_100000749019_200020598536 [0,1,0,1,0,0|1,0,0]=3 13019 B17R2.295445 O=C(NC1CCC1)/C(=C/c2ccccc2)/Cl 527a_100000749019_200020598536 [0,1,0,1,0,0|1,0,0]=3 13020 B17R2.295445 O=C(NC1CCC1)/C(=C\c2ccccc2)/F 11a_100000749019_100020889036 [0,1,0,1,0,0|1,0,0]=3 13021 B17R2.295445 O=C(NC1CCC1)/C(=C\c2ccccc2)/F 527a_100000749019_100020889036 [0,1,0,1,0,0|1,0,0]=3 13022 B17R2.295445 O=C(NC1CCC1)C(=Cc2cccnc2)F 11a_100000749019_100000731744 [0,1,0,1,0,0|2,0,0]=4 13023 B17R2.295445 O=C(NC1CCC1)C(=Cc2cccnc2)F 240690a_100000749019_100000731744 [0,1,0,1,0,0|2,0,0]=4 13024 B17R2.295445 O=C(NC1CCC1)C(=Cc2cccnc2)F 527a_100000749019_100000731744 [0,1,0,1,0,0|2,0,0]=4 13025 B17R2.295445 O=C(NC1COC1)/C(=C/c2ccccc2)/Cl 11a_100016991112_200020598536 [0,1,0,1,0,0|2,0,0]=4 13026 B17R2.295445 O=C(NC1COC1)/C(=C/c2ccccc2)/Cl 1626a_100016991112_200020598536 [0,1,0,1,0,0|2,0,0]=4 13027 B17R2.295445 O=C(NC1COC1)/C(=C/c2ccccc2)/Cl 240690a_100016991112_200020598536 [0,1,0,1,0,0|2,0,0]=4 13028 B17R2.295445 O=C(NC1COC1)/C(=C/c2ccccc2)/Cl 527a_100016991112_200020598536 [0,1,0,1,0,0|2,0,0]=4 13029 B17R2.295445 O=C(NC1COC1)/C(=C\c2ccccc2)/F 11a_100016991112_100020889036 [0,1,0,1,0,0|2,0,0]=4 13030 B17R2.295445 O=C(NC1COC1)/C(=C\c2ccccc2)/F 527a_100016991112_100020889036 [0,1,0,1,0,0|2,0,0]=4 13031 B17R2.295445 O=C(NC1CSC1)/C(=C/c2ccccc2)/Cl 11a_100016994217_200020598536 [0,1,0,1,0,0|2,0,0]=4 13032 B17R2.295445 O=C(NC1CSC1)/C(=C/c2ccccc2)/Cl 1626a_100016994217_200020598536 [0,1,0,1,0,0|2,0,0]=4 13033 B17R2.295445 O=C(NC1CSC1)/C(=C/c2ccccc2)/Cl 240690a_100016994217_200020598536 [0,1,0,1,0,0|2,0,0]=4 13034 B17R2.295445 O=C(NC1CSC1)/C(=C/c2ccccc2)/Cl 527a_100016994217_200020598536 [0,1,0,1,0,0|2,0,0]=4 13035 B17R2.295445 O=C(NC1CSC1)/C(=C\c2ccccc2)/F 11a_100016994217_100020889036 [0,1,0,1,0,0|2,0,0]=4 13036 B17R2.295445 O=C(NC1CSC1)/C(=C\c2ccccc2)/F 527a_100016994217_100020889036 [0,1,0,1,0,0|2,0,0]=4 13037 B17R2.295445 O=C(Nc1ccccc1)C(=O)NC2CCC2 240690a_100000749019_100000738435 [0,1,0,1,0,0|2,0,0]=4 13038 B17R2.556 CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210202 [0,1,0,1,0,0|1,0,1]=4 13039 B17R2.556 CCC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747405 [0,1,0,1,0,0|1,0,1]=4 13040 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748023 [0,1,0,1,0,0|2,0,0]=4 13041 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748023 [0,1,0,1,0,0|2,0,0]=4 13042 B17R2.556 CCC(C)CNc1ccc2ccccc2n1 27a_100020588543_100011291633 [0,1,0,1,0,0|2,0,0]=4 13043 B17R2.556 CCC(C)COc1ccc2ccccc2c1 34a_100000185828_100000748023 [0,1,0,1,0,0|1,0,0]=3 13044 B17R2.556 CCC(C)COc1ccc2ccccc2c1 7a_100000185828_100000748023 [0,1,0,1,0,0|1,0,0]=3 13045 B17R2.556 CCC(C)COc1ccc2cccnc2c1 34a_100011216045_100000748023 [0,1,0,1,0,0|2,0,0]=4 13046 B17R2.556 CCC(C)COc1ccc2ccncc2c1 7a_100000752006_100000748023 [0,1,0,1,0,0|2,0,0]=4 13047 B17R2.556 CCC(C)COc1ccc2cnccc2c1 34a_100000046372_100000748023 [0,1,0,1,0,0|2,0,0]=4 13048 B17R2.556 CCC(C)COc1ccc2cnccc2c1 7a_100000046372_100000748023 [0,1,0,1,0,0|2,0,0]=4 13049 B17R2.556 CCC(C)COc1ccc2ncccc2c1 34a_100011215586_100000748023 [0,1,0,1,0,0|2,0,0]=4 13050 B17R2.556 CCC(C)COc1ccc2ncccc2c1 7a_100011215586_100000748023 [0,1,0,1,0,0|2,0,0]=4 13051 B17R2.556 CCC(C)COc1cnc2ccccc2c1 34a_100011934006_100000748023 [0,1,0,1,0,0|2,0,0]=4 13052 B17R2.556 CCC(C)COc1cnc2ccccc2c1 7a_100011934006_100000748023 [0,1,0,1,0,0|2,0,0]=4 13053 B17R2.556 CCC(C)CSc1ccc2ccccc2c1 62a_100000748023_100000233703 [0,1,0,1,0,0|1,1,0]=4 13054 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100000748023_100011291633 [0,1,0,1,0,0|1,1,0]=4 13055 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000748023 [0,1,0,1,0,0|1,1,0]=4 13056 B17R2.556 CCC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218378 [0,1,0,1,0,0|2,0,0]=4 13057 B17R2.556 CCC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218378 [0,1,0,1,0,0|2,0,0]=4 13058 B17R2.556 CCC(O)CNc1ccc2ccccc2n1 27a_100011218483_100011291633 [0,1,0,1,0,0|2,0,0]=4 13059 B17R2.556 CCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218378 [0,1,0,1,0,0|1,0,0]=3 13060 B17R2.556 CCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218378 [0,1,0,1,0,0|1,0,0]=3 13061 B17R2.556 CCC(O)COc1ccc2cccnc2c1 34a_100011216045_100011218378 [0,1,0,1,0,0|2,0,0]=4 13062 B17R2.556 CCC(O)COc1ccc2ccncc2c1 7a_100000752006_100011218378 [0,1,0,1,0,0|2,0,0]=4 13063 B17R2.556 CCC(O)COc1ccc2cnccc2c1 34a_100000046372_100011218378 [0,1,0,1,0,0|2,0,0]=4 13064 B17R2.556 CCC(O)COc1ccc2cnccc2c1 7a_100000046372_100011218378 [0,1,0,1,0,0|2,0,0]=4 13065 B17R2.556 CCC(O)COc1ccc2ncccc2c1 34a_100011215586_100011218378 [0,1,0,1,0,0|2,0,0]=4 13066 B17R2.556 CCC(O)COc1ccc2ncccc2c1 7a_100011215586_100011218378 [0,1,0,1,0,0|2,0,0]=4 13067 B17R2.556 CCC(O)COc1cnc2ccccc2c1 34a_100011934006_100011218378 [0,1,0,1,0,0|2,0,0]=4 13068 B17R2.556 CCC(O)COc1cnc2ccccc2c1 7a_100011934006_100011218378 [0,1,0,1,0,0|2,0,0]=4 13069 B17R2.556 CCC(O)CSc1ccc2ccccc2c1 62a_100011218378_100000233703 [0,1,0,1,0,0|1,1,0]=4 13070 B17R2.556 CCC(O)CSc1ccc2ccccc2n1 62a_100011218378_100011291633 [0,1,0,1,0,0|1,1,0]=4 13071 B17R2.556 CCC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218378 [0,1,0,1,0,0|1,1,0]=4 13072 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 34a_100000211940_100009816398 [0,1,0,1,0,0|2,0,0]=4 13073 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 7a_100000211940_100009816398 [0,1,0,1,0,0|2,0,0]=4 13074 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 34a_100000185828_100009816398 [0,1,0,1,0,0|1,0,0]=3 13075 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 7a_100000185828_100009816398 [0,1,0,1,0,0|1,0,0]=3 13076 B17R2.556 CC[C@H](C)COc1ccc2cccnc2c1 34a_100011216045_100009816398 [0,1,0,1,0,0|2,0,0]=4 13077 B17R2.556 CC[C@H](C)COc1ccc2ccncc2c1 7a_100000752006_100009816398 [0,1,0,1,0,0|2,0,0]=4 13078 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 34a_100000046372_100009816398 [0,1,0,1,0,0|2,0,0]=4 13079 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 7a_100000046372_100009816398 [0,1,0,1,0,0|2,0,0]=4 13080 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 34a_100011215586_100009816398 [0,1,0,1,0,0|2,0,0]=4 13081 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 7a_100011215586_100009816398 [0,1,0,1,0,0|2,0,0]=4 13082 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 34a_100011934006_100009816398 [0,1,0,1,0,0|2,0,0]=4 13083 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 7a_100011934006_100009816398 [0,1,0,1,0,0|2,0,0]=4 13084 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2c1 62a_100009816398_100000233703 [0,1,0,1,0,0|1,1,0]=4 13085 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100009816398_100011291633 [0,1,0,1,0,0|1,1,0]=4 13086 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100011291633_100009816398 [0,1,0,1,0,0|1,1,0]=4 13087 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 34a_100000185828_100000059175 [0,1,0,1,0,0|2,0,0]=4 13088 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 7a_100000185828_100000059175 [0,1,0,1,0,0|2,0,0]=4 13089 B17R2.556 OCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011219619 [0,1,0,1,0,0|2,0,0]=4 13090 B17R2.556 OCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011219619 [0,1,0,1,0,0|2,0,0]=4 13091 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009815848 [0,1,0,1,0,0|2,0,0]=4 13092 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009815848 [0,1,0,1,0,0|2,0,0]=4 13093 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 34a_100000185828_100015614560 [0,1,0,1,0,0|2,0,0]=4 13094 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 7a_100000185828_100015614560 [0,1,0,1,0,0|2,0,0]=4 13095 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccc2 11a_100015205115_100000210462 [0,1,0,1,0,0|1,0,0]=3 13096 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccc2 1626a_100015205115_100000210462 [0,1,0,1,0,0|1,0,0]=3 13097 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccn2 11a_100015205115_100000740811 [0,1,0,1,0,0|2,0,0]=4 13098 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccccn2 240690a_100015205115_100000740811 [0,1,0,1,0,0|2,0,0]=4 13099 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2cccnc2 11a_100015205115_100000735890 [0,1,0,1,0,0|2,0,0]=4 13100 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2cccnc2 240690a_100015205115_100000735890 [0,1,0,1,0,0|2,0,0]=4 13101 B17R2.1671 CCC1CN(C1)C(=O)C=Cc2ccncc2 240690a_100015205115_100000682801 [0,1,0,1,0,0|2,0,0]=4 13102 B17R2.1671 COC1CN(C1)C(=O)C=Cc2ccccc2 11a_100000755009_100000210462 [0,1,0,1,0,0|2,0,0]=4 13103 B17R2.1671 COC1CN(C1)C(=O)C=Cc2ccccc2 1626a_100000755009_100000210462 [0,1,0,1,0,0|2,0,0]=4 13104 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2ccccc2 11a_100016990038_100000210462 [0,1,0,1,0,0|2,0,0]=4 13105 B17R2.1671 CSC1CN(C1)C(=O)C=Cc2ccccc2 1626a_100016990038_100000210462 [0,1,0,1,0,0|2,0,0]=4 13106 B17R2.1671 O=C(C=Cc1ccccc1)N2CC(C2)CF 11a_100010363649_100000210462 [0,1,0,1,0,0|2,0,0]=4 13107 B17R2.5078 C[C@H]1[C@H](CN1C(=O)C=Cc2ccccc2)O 11a_206633788156_100000210462 [0,1,0,1,0,0|1,0,0]=3 13108 B17R2.5078 C[C@H]1[C@H](CN1C(=O)C=Cc2ccccn2)O 11a_206633788156_100000740811 [0,1,0,1,0,0|2,0,0]=4 13109 B17R2.5078 C[C@H]1[C@H](CN1C(=O)C=Cc2ccccn2)O 240690a_206633788156_100000740811 [0,1,0,1,0,0|2,0,0]=4 13110 B17R2.5078 C[C@H]1[C@H](CN1C(=O)C=Cc2cccnc2)O 11a_206633788156_100000735890 [0,1,0,1,0,0|2,0,0]=4 13111 B17R2.5078 C[C@H]1[C@H](CN1C(=O)C=Cc2cccnc2)O 240690a_206633788156_100000735890 [0,1,0,1,0,0|2,0,0]=4 13112 B17R2.5078 C[C@H]1[C@H](CN1C(=O)C=Cc2ccncc2)O 240690a_206633788156_100000682801 [0,1,0,1,0,0|2,0,0]=4 13113 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccc2 11a_100000766693_100000210462 [0,1,0,1,0,0|1,0,0]=3 13114 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccc2 1626a_100000766693_100000210462 [0,1,0,1,0,0|1,0,0]=3 13115 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccn2 11a_100000766693_100000740811 [0,1,0,1,0,0|2,0,0]=4 13116 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccccn2 240690a_100000766693_100000740811 [0,1,0,1,0,0|2,0,0]=4 13117 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2cccnc2 11a_100000766693_100000735890 [0,1,0,1,0,0|2,0,0]=4 13118 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2cccnc2 240690a_100000766693_100000735890 [0,1,0,1,0,0|2,0,0]=4 13119 B17R2.76770 CC1(CC1)CNC(=O)C=Cc2ccncc2 240690a_100000766693_100000682801 [0,1,0,1,0,0|2,0,0]=4 13120 B17R2.76770 O=C(C=Cc1ccccc1)NCC2(CC2)O 11a_100011936951_100000210462 [0,1,0,1,0,0|1,0,0]=3 13121 B17R2.76770 O=C(C=Cc1ccccn1)NCC2(CC2)O 11a_100011936951_100000740811 [0,1,0,1,0,0|2,0,0]=4 13122 B17R2.76770 O=C(C=Cc1ccccn1)NCC2(CC2)O 240690a_100011936951_100000740811 [0,1,0,1,0,0|2,0,0]=4 13123 B17R2.76770 O=C(C=Cc1cccnc1)NCC2(CC2)O 11a_100011936951_100000735890 [0,1,0,1,0,0|2,0,0]=4 13124 B17R2.76770 O=C(C=Cc1cccnc1)NCC2(CC2)O 240690a_100011936951_100000735890 [0,1,0,1,0,0|2,0,0]=4 13125 B17R2.76770 O=C(C=Cc1ccncc1)NCC2(CC2)O 240690a_100011936951_100000682801 [0,1,0,1,0,0|2,0,0]=4 13126 B17R2.2104 CCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210211 [0,1,0,1,0,0|2,0,0]=4 13127 B17R2.2104 CCCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210211 [0,1,0,1,0,0|2,0,0]=4 13128 B17R2.2104 CCCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210211 [0,1,0,1,0,0|2,0,0]=4 13129 B17R2.2104 CCCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210210 [0,1,0,1,0,0|2,0,0]=4 13130 B17R2.2104 CCCCN(C)c1ccc2ccccc2n1 27a_100000207549_100011291633 [0,1,0,1,0,0|2,0,0]=4 13131 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccc2 11a_100000741881_100000210462 [0,1,0,1,0,0|1,0,0]=3 13132 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccc2 1626a_100000741881_100000210462 [0,1,0,1,0,0|1,0,0]=3 13133 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccn2 11a_100000741881_100000740811 [0,1,0,1,0,0|2,0,0]=4 13134 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccccn2 240690a_100000741881_100000740811 [0,1,0,1,0,0|2,0,0]=4 13135 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2cccnc2 11a_100000741881_100000735890 [0,1,0,1,0,0|2,0,0]=4 13136 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2cccnc2 240690a_100000741881_100000735890 [0,1,0,1,0,0|2,0,0]=4 13137 B17R2.76767 CN(CC1CC1)C(=O)C=Cc2ccncc2 240690a_100000741881_100000682801 [0,1,0,1,0,0|2,0,0]=4 13138 B17R2.458942 CN(C(=O)C=Cc1ccccc1)C2CCC2 11a_100000758072_100000210462 [0,1,0,1,0,0|1,0,0]=3 13139 B17R2.458942 CN(C(=O)C=Cc1ccccc1)C2CCC2 1626a_100000758072_100000210462 [0,1,0,1,0,0|1,0,0]=3 13140 B17R2.458942 CN(C(=O)C=Cc1ccccc1)C2COC2 11a_100102693430_100000210462 [0,1,0,1,0,0|2,0,0]=4 13141 B17R2.458942 CN(C(=O)C=Cc1ccccc1)C2COC2 1626a_100102693430_100000210462 [0,1,0,1,0,0|2,0,0]=4 13142 B17R2.458942 CN(C(=O)C=Cc1ccccn1)C2CCC2 11a_100000758072_100000740811 [0,1,0,1,0,0|2,0,0]=4 13143 B17R2.458942 CN(C(=O)C=Cc1ccccn1)C2CCC2 240690a_100000758072_100000740811 [0,1,0,1,0,0|2,0,0]=4 13144 B17R2.458942 CN(C(=O)C=Cc1cccnc1)C2CCC2 11a_100000758072_100000735890 [0,1,0,1,0,0|2,0,0]=4 13145 B17R2.458942 CN(C(=O)C=Cc1cccnc1)C2CCC2 240690a_100000758072_100000735890 [0,1,0,1,0,0|2,0,0]=4 13146 B17R2.458942 CN(C(=O)C=Cc1ccncc1)C2CCC2 240690a_100000758072_100000682801 [0,1,0,1,0,0|2,0,0]=4 13147 B17R2.2159 CC(CCO)Oc1ccc2ccccc2c1 34a_100000185828_100009893172 [0,1,0,1,0,0|2,0,0]=4 13148 B17R2.2159 CC(CCO)Oc1ccc2ccccc2c1 7a_100000185828_100009893172 [0,1,0,1,0,0|2,0,0]=4 13149 B17R2.2159 CCCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000766640 [0,1,0,1,0,0|2,0,0]=4 13150 B17R2.2159 CCCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000766640 [0,1,0,1,0,0|2,0,0]=4 13151 B17R2.2159 CCCC(C)Nc1ccc2ccccc2n1 27a_100000741246_100011291633 [0,1,0,1,0,0|2,0,0]=4 13152 B17R2.2159 CCCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000766640 [0,1,0,1,0,0|1,0,0]=3 13153 B17R2.2159 CCCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000766640 [0,1,0,1,0,0|1,0,0]=3 13154 B17R2.2159 CCCC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000766640 [0,1,0,1,0,0|2,0,0]=4 13155 B17R2.2159 CCCC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000766640 [0,1,0,1,0,0|2,0,0]=4 13156 B17R2.2159 CCCC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000766640 [0,1,0,1,0,0|2,0,0]=4 13157 B17R2.2159 CCCC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000766640 [0,1,0,1,0,0|2,0,0]=4 13158 B17R2.2159 CCCC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000766640 [0,1,0,1,0,0|2,0,0]=4 13159 B17R2.2159 CCCC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000766640 [0,1,0,1,0,0|2,0,0]=4 13160 B17R2.2159 CCCC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000766640 [0,1,0,1,0,0|2,0,0]=4 13161 B17R2.2159 CCCC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000766640 [0,1,0,1,0,0|2,0,0]=4 13162 B17R2.2159 CCCC(C)Sc1ccc2ccccc2c1 62a_100000766640_100000233703 [0,1,0,1,0,0|1,1,0]=4 13163 B17R2.2159 CCCC(C)Sc1ccc2ccccc2n1 62a_100000766640_100011291633 [0,1,0,1,0,0|1,1,0]=4 13164 B17R2.2159 CCCC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000766640 [0,1,0,1,0,0|1,1,0]=4 13165 B17R2.2159 COCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000765312 [0,1,0,1,0,0|2,0,0]=4 13166 B17R2.2159 COCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000765312 [0,1,0,1,0,0|2,0,0]=4 13167 B17R2.76755 CC1(CCC1)CC(=O)C=Cc2ccccc2 1458a_100000210462_100000726658 [0,1,0,1,0,0|1,0,0]=3 13168 B17R2.76755 CC1(CCC1)CC(=O)C=Cc2ccccn2 1458a_100000740811_100000726658 [0,1,0,1,0,0|2,0,0]=4 13169 B17R2.76755 CC1(CCC1)CC(=O)C=Cc2cccnc2 1458a_100000735890_100000726658 [0,1,0,1,0,0|2,0,0]=4 13170 B17R2.76755 CC1(CCC1)CC(=O)C=Cc2ccncc2 1458a_100000682801_100000726658 [0,1,0,1,0,0|2,0,0]=4 13171 B17R2.76755 CC1(CCC1)NC(=O)C=Cc2ccccc2 11a_100000692455_100000210462 [0,1,0,1,0,0|1,0,0]=3 13172 B17R2.76755 CC1(CCC1)NC(=O)C=Cc2ccccc2 1626a_100000692455_100000210462 [0,1,0,1,0,0|1,0,0]=3 13173 B17R2.76755 CC1(CCC1)NC(=O)C=Cc2ccccn2 11a_100000692455_100000740811 [0,1,0,1,0,0|2,0,0]=4 13174 B17R2.76755 CC1(CCC1)NC(=O)C=Cc2ccccn2 240690a_100000692455_100000740811 [0,1,0,1,0,0|2,0,0]=4 13175 B17R2.76755 CC1(CCC1)NC(=O)C=Cc2cccnc2 11a_100000692455_100000735890 [0,1,0,1,0,0|2,0,0]=4 13176 B17R2.76755 CC1(CCC1)NC(=O)C=Cc2cccnc2 240690a_100000692455_100000735890 [0,1,0,1,0,0|2,0,0]=4 13177 B17R2.76755 CC1(CCC1)NC(=O)C=Cc2ccncc2 240690a_100000692455_100000682801 [0,1,0,1,0,0|2,0,0]=4 13178 B17R2.76755 CC1(COC1)CC(=O)C=Cc2ccccc2 1458a_100000210462_100000066812 [0,1,0,1,0,0|2,0,0]=4 13179 B17R2.76755 CC1(COC1)NC(=O)C=Cc2ccccc2 11a_100000732644_100000210462 [0,1,0,1,0,0|2,0,0]=4 13180 B17R2.76755 CC1(COC1)NC(=O)C=Cc2ccccc2 1626a_100000732644_100000210462 [0,1,0,1,0,0|2,0,0]=4 13181 B17R2.76771 CC(NC(=O)C=Cc1ccccc1)C2CC2 11a_100000700016_100000210462 [0,1,0,1,0,0|1,0,0]=3 13182 B17R2.76771 CC(NC(=O)C=Cc1ccccc1)C2CC2 1626a_100000700016_100000210462 [0,1,0,1,0,0|1,0,0]=3 13183 B17R2.76771 CC(NC(=O)C=Cc1ccccn1)C2CC2 11a_100000700016_100000740811 [0,1,0,1,0,0|2,0,0]=4 13184 B17R2.76771 CC(NC(=O)C=Cc1ccccn1)C2CC2 240690a_100000700016_100000740811 [0,1,0,1,0,0|2,0,0]=4 13185 B17R2.76771 CC(NC(=O)C=Cc1cccnc1)C2CC2 11a_100000700016_100000735890 [0,1,0,1,0,0|2,0,0]=4 13186 B17R2.76771 CC(NC(=O)C=Cc1cccnc1)C2CC2 240690a_100000700016_100000735890 [0,1,0,1,0,0|2,0,0]=4 13187 B17R2.76771 CC(NC(=O)C=Cc1ccncc1)C2CC2 240690a_100000700016_100000682801 [0,1,0,1,0,0|2,0,0]=4 13188 B17R2.76771 O=C(C=Cc1ccccc1)CC(=O)C2CC2 1458a_100000210462_100000746382 [0,1,0,1,0,0|1,0,1]=4 13189 B17R2.3429 O=C(C=Cc1ccccc1Br)C2CCCC2 1458a_100000719032_100000179811 [0,1,0,1,0,0|1,0,0]=3 13190 B17R2.3429 O=C(C=Cc1ccccc1Br)C2CCOC2 1458a_100000719032_100000690089 [0,1,0,1,0,0|2,0,0]=4 13191 B17R2.3429 O=C(C=Cc1ccccc1Br)N2CCCC2 240690a_100000188435_100000719032 [0,1,0,1,0,0|1,0,0]=3 13192 B17R2.3429 O=C(C=Cc1ccccc1Br)N2CCSC2 11a_100011215254_100000719032 [0,1,0,1,0,0|2,0,0]=4 13193 B17R2.3429 O=C(C=Cc1ccccc1Br)N2CCSC2 240690a_100011215254_100000719032 [0,1,0,1,0,0|2,0,0]=4 13194 B17R2.3429 O=C(C=Cc1ccccc1Cl)C2CCCC2 1458a_100000720304_100000179811 [0,1,0,1,0,0|1,0,0]=3 13195 B17R2.3429 O=C(C=Cc1ccccc1Cl)C2CCOC2 1458a_100000720304_100000690089 [0,1,0,1,0,0|2,0,0]=4 13196 B17R2.3429 O=C(C=Cc1ccccc1Cl)N2CCCC2 240690a_100000188435_100000720304 [0,1,0,1,0,0|1,0,0]=3 13197 B17R2.3429 O=C(C=Cc1ccccc1Cl)N2CCSC2 11a_100011215254_100000720304 [0,1,0,1,0,0|2,0,0]=4 13198 B17R2.3429 O=C(C=Cc1ccccc1Cl)N2CCSC2 240690a_100011215254_100000720304 [0,1,0,1,0,0|2,0,0]=4 13199 B17R2.3429 O=C(C=Cc1ccccc1F)C2CCCC2 1458a_100016256065_100000179811 [0,1,0,1,0,0|1,0,0]=3 13200 B17R2.3429 O=C(C=Cc1ccccc1F)C2CCOC2 1458a_100016256065_100000690089 [0,1,0,1,0,0|2,0,0]=4 13201 B17R2.3429 O=C(C=Cc1ccccc1F)N2CCCC2 240690a_100000188435_100016256065 [0,1,0,1,0,0|1,0,0]=3 13202 B17R2.3429 O=C(C=Cc1ccccc1F)N2CCSC2 11a_100011215254_100016256065 [0,1,0,1,0,0|2,0,0]=4 13203 B17R2.3429 O=C(C=Cc1ccccc1F)N2CCSC2 240690a_100011215254_100016256065 [0,1,0,1,0,0|2,0,0]=4 13204 B17R2.3429 O=C(C=Cc1ccccc1O)C2CCCC2 1458a_100016263591_100000179811 [0,1,0,1,0,0|1,0,0]=3 13205 B17R2.3429 O=C(C=Cc1ccccc1O)C2CCOC2 1458a_100016263591_100000690089 [0,1,0,1,0,0|2,0,0]=4 13206 B17R2.20594 CC1CCN1C(=O)C=Cc2ccccc2Br 11a_100000755817_100000719032 [0,1,0,1,0,0|1,0,0]=3 13207 B17R2.20594 CC1CCN1C(=O)C=Cc2ccccc2Br 240690a_100000755817_100000719032 [0,1,0,1,0,0|1,0,0]=3 13208 B17R2.20594 CC1CCN1C(=O)C=Cc2ccccc2Cl 11a_100000755817_100000720304 [0,1,0,1,0,0|1,0,0]=3 13209 B17R2.20594 CC1CCN1C(=O)C=Cc2ccccc2Cl 240690a_100000755817_100000720304 [0,1,0,1,0,0|1,0,0]=3 13210 B17R2.20594 CC1CCN1C(=O)C=Cc2ccccc2F 11a_100000755817_100016256065 [0,1,0,1,0,0|1,0,0]=3 13211 B17R2.20594 CC1CCN1C(=O)C=Cc2ccccc2F 240690a_100000755817_100016256065 [0,1,0,1,0,0|1,0,0]=3 13212 B17R2.20620 Cc1ccccc1C=CC(=O)NCC2CC2 1626a_100000735609_100016266485 [0,1,0,1,0,0|1,0,0]=3 13213 B17R2.20620 Cc1ccccc1C=CC(=O)NNC2CC2 22a_100000701032_100016266485 [0,1,0,1,0,0|2,0,0]=4 13214 B17R2.20620 O=C(C=Cc1ccccc1Br)CCC2CC2 1458a_100000719032_100000694398 [0,1,0,1,0,0|1,0,0]=3 13215 B17R2.20620 O=C(C=Cc1ccccc1Br)CCC2CO2 1458a_100000719032_100000732470 [0,1,0,1,0,0|2,0,0]=4 13216 B17R2.20620 O=C(C=Cc1ccccc1Br)NCC2CC2 11a_100000735609_100000719032 [0,1,0,1,0,0|1,0,0]=3 13217 B17R2.20620 O=C(C=Cc1ccccc1Br)NCC2CC2 1626a_100000735609_100000719032 [0,1,0,1,0,0|1,0,0]=3 13218 B17R2.20620 O=C(C=Cc1ccccc1Br)NCC2CC2 240690a_100000735609_100000719032 [0,1,0,1,0,0|1,0,0]=3 13219 B17R2.20620 O=C(C=Cc1ccccc1Br)NNC2CC2 22a_100000701032_100000719032 [0,1,0,1,0,0|2,0,0]=4 13220 B17R2.20620 O=C(C=Cc1ccccc1Cl)CCC2CC2 1458a_100000720304_100000694398 [0,1,0,1,0,0|1,0,0]=3 13221 B17R2.20620 O=C(C=Cc1ccccc1Cl)CCC2CO2 1458a_100000720304_100000732470 [0,1,0,1,0,0|2,0,0]=4 13222 B17R2.20620 O=C(C=Cc1ccccc1Cl)NCC2CC2 11a_100000735609_100000720304 [0,1,0,1,0,0|1,0,0]=3 13223 B17R2.20620 O=C(C=Cc1ccccc1Cl)NCC2CC2 1626a_100000735609_100000720304 [0,1,0,1,0,0|1,0,0]=3 13224 B17R2.20620 O=C(C=Cc1ccccc1Cl)NCC2CC2 240690a_100000735609_100000720304 [0,1,0,1,0,0|1,0,0]=3 13225 B17R2.20620 O=C(C=Cc1ccccc1Cl)NNC2CC2 22a_100000701032_100000720304 [0,1,0,1,0,0|2,0,0]=4 13226 B17R2.20620 O=C(C=Cc1ccccc1F)CCC2CC2 1458a_100016256065_100000694398 [0,1,0,1,0,0|1,0,0]=3 13227 B17R2.20620 O=C(C=Cc1ccccc1F)CCC2CO2 1458a_100016256065_100000732470 [0,1,0,1,0,0|2,0,0]=4 13228 B17R2.20620 O=C(C=Cc1ccccc1F)NCC2CC2 11a_100000735609_100016256065 [0,1,0,1,0,0|1,0,0]=3 13229 B17R2.20620 O=C(C=Cc1ccccc1F)NCC2CC2 1626a_100000735609_100016256065 [0,1,0,1,0,0|1,0,0]=3 13230 B17R2.20620 O=C(C=Cc1ccccc1F)NCC2CC2 240690a_100000735609_100016256065 [0,1,0,1,0,0|1,0,0]=3 13231 B17R2.20620 O=C(C=Cc1ccccc1F)NNC2CC2 22a_100000701032_100016256065 [0,1,0,1,0,0|2,0,0]=4 13232 B17R2.20620 O=C(C=Cc1ccccc1O)CCC2CC2 1458a_100016263591_100000694398 [0,1,0,1,0,0|1,0,0]=3 13233 B17R2.20620 O=C(C=Cc1ccccc1O)CCC2CO2 1458a_100016263591_100000732470 [0,1,0,1,0,0|2,0,0]=4 13234 B17R2.20620 O=C(C=Cc1ccccc1O)NNC2CC2 22a_100000701032_100016263591 [0,1,0,1,0,0|2,0,0]=4 13235 B17R2.24355 Cc1ccccc1C=CC(=O)N[C@@H]2C[C@H]2F 1626a_100025746932_100016266485 [0,1,0,1,0,0|2,0,0]=4 13236 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000719032 [0,1,0,1,0,0|2,0,0]=4 13237 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@H]2F 11a_100025746932_100000719032 [0,1,0,1,0,0|2,0,0]=4 13238 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@H]2F 1626a_100025746932_100000719032 [0,1,0,1,0,0|2,0,0]=4 13239 B17R2.24355 O=C(C=Cc1ccccc1Br)N[C@@H]2C[C@H]2F 240690a_100025746932_100000719032 [0,1,0,1,0,0|2,0,0]=4 13240 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000720304 [0,1,0,1,0,0|2,0,0]=4 13241 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@H]2F 11a_100025746932_100000720304 [0,1,0,1,0,0|2,0,0]=4 13242 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@H]2F 1626a_100025746932_100000720304 [0,1,0,1,0,0|2,0,0]=4 13243 B17R2.24355 O=C(C=Cc1ccccc1Cl)N[C@@H]2C[C@H]2F 240690a_100025746932_100000720304 [0,1,0,1,0,0|2,0,0]=4 13244 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@@H]2F 240690a_100015190264_100016256065 [0,1,0,1,0,0|2,0,0]=4 13245 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@H]2F 11a_100025746932_100016256065 [0,1,0,1,0,0|2,0,0]=4 13246 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@H]2F 1626a_100025746932_100016256065 [0,1,0,1,0,0|2,0,0]=4 13247 B17R2.24355 O=C(C=Cc1ccccc1F)N[C@@H]2C[C@H]2F 240690a_100025746932_100016256065 [0,1,0,1,0,0|2,0,0]=4 13248 B17R2.103529 CCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210210 [0,1,0,1,0,0|2,0,0]=4 13249 B17R2.103529 CCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210211 [0,1,0,1,0,0|2,0,0]=4 13250 B17R2.103529 CCCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210210 [0,1,0,1,0,0|2,0,0]=4 13251 B17R2.103529 CCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210211 [0,1,0,1,0,0|2,0,0]=4 13252 B17R2.103529 CCCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210210 [0,1,0,1,0,0|2,0,0]=4 13253 B17R2.103529 CCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210211 [0,1,0,1,0,0|2,0,0]=4 13254 B17R2.103529 CCCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210210 [0,1,0,1,0,0|1,0,0]=3 13255 B17R2.103529 CCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210211 [0,1,0,1,0,0|1,0,0]=3 13256 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210210 [0,1,0,1,0,0|2,0,0]=4 13257 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210211 [0,1,0,1,0,0|2,0,0]=4 13258 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210210 [0,1,0,1,0,0|2,0,0]=4 13259 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210211 [0,1,0,1,0,0|2,0,0]=4 13260 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210210 [0,1,0,1,0,0|2,0,0]=4 13261 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210211 [0,1,0,1,0,0|2,0,0]=4 13262 B17R2.103529 CCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210210 [0,1,0,1,0,0|2,0,0]=4 13263 B17R2.103529 CCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210211 [0,1,0,1,0,0|2,0,0]=4 13264 B17R2.103529 CCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210210 [0,1,0,1,0,0|2,0,0]=4 13265 B17R2.103529 CCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210211 [0,1,0,1,0,0|2,0,0]=4 13266 B17R2.103529 CCCCSc1ccc2c(cccc2c1)N 62a_100000210211_100010090037 [0,1,0,1,0,0|1,1,0]=4 13267 B17R2.103529 CCCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210210 [0,1,0,1,0,0|1,1,0]=4 13268 B17R2.103529 CCCCSc1ccc2c(cccc2c1)O 62a_100000210211_100010202202 [0,1,0,1,0,0|1,1,0]=4 13269 B17R2.103529 COCCOc1ccc2c(cccc2c1)N 34a_100000034668_100011201679 [0,1,0,1,0,0|2,0,0]=4 13270 B17R2.103529 COCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000233755 [0,1,0,1,0,0|2,0,0]=4 13271 B17R2.103529 CSCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000212216 [0,1,0,1,0,0|2,0,0]=4 13272 B17R2.103529 CSCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000212216 [0,1,0,1,0,0|2,0,0]=4 13273 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCF 34a_100000034668_100011934791 [0,1,0,1,0,0|2,0,0]=4 13274 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCF 7a_100000034668_100011934791 [0,1,0,1,0,0|2,0,0]=4 13275 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCO 34a_100000034668_100000230001 [0,1,0,1,0,0|2,0,0]=4 13276 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCO 7a_100000034668_100011215043 [0,1,0,1,0,0|2,0,0]=4 13277 B17R2.181358 Cc1ccccc1C=CC(=O)NC2CCC2 1626a_100000749019_100016266485 [0,1,0,1,0,0|1,0,0]=3 13278 B17R2.181358 Cc1ccccc1C=CC(=O)NC2COC2 1626a_100016991112_100016266485 [0,1,0,1,0,0|2,0,0]=4 13279 B17R2.181358 Cc1ccccc1C=CC(=O)NC2CSC2 1626a_100016994217_100016266485 [0,1,0,1,0,0|2,0,0]=4 13280 B17R2.181358 O=C(C=Cc1ccccc1Br)CC2CCC2 1458a_100000719032_100000763275 [0,1,0,1,0,0|1,0,0]=3 13281 B17R2.181358 O=C(C=Cc1ccccc1Br)CC2CCO2 1458a_100000719032_100000103362 [0,1,0,1,0,0|2,0,0]=4 13282 B17R2.181358 O=C(C=Cc1ccccc1Br)CC2COC2 1458a_100000719032_100010264016 [0,1,0,1,0,0|2,0,0]=4 13283 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CCC2 11a_100000749019_100000719032 [0,1,0,1,0,0|1,0,0]=3 13284 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CCC2 1626a_100000749019_100000719032 [0,1,0,1,0,0|1,0,0]=3 13285 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CCC2 240690a_100000749019_100000719032 [0,1,0,1,0,0|1,0,0]=3 13286 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2COC2 11a_100016991112_100000719032 [0,1,0,1,0,0|2,0,0]=4 13287 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2COC2 1626a_100016991112_100000719032 [0,1,0,1,0,0|2,0,0]=4 13288 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2COC2 240690a_100016991112_100000719032 [0,1,0,1,0,0|2,0,0]=4 13289 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CSC2 11a_100016994217_100000719032 [0,1,0,1,0,0|2,0,0]=4 13290 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CSC2 1626a_100016994217_100000719032 [0,1,0,1,0,0|2,0,0]=4 13291 B17R2.181358 O=C(C=Cc1ccccc1Br)NC2CSC2 240690a_100016994217_100000719032 [0,1,0,1,0,0|2,0,0]=4 13292 B17R2.181358 O=C(C=Cc1ccccc1Cl)CC2CCC2 1458a_100000720304_100000763275 [0,1,0,1,0,0|1,0,0]=3 13293 B17R2.181358 O=C(C=Cc1ccccc1Cl)CC2CCO2 1458a_100000720304_100000103362 [0,1,0,1,0,0|2,0,0]=4 13294 B17R2.181358 O=C(C=Cc1ccccc1Cl)CC2COC2 1458a_100000720304_100010264016 [0,1,0,1,0,0|2,0,0]=4 13295 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2CCC2 11a_100000749019_100000720304 [0,1,0,1,0,0|1,0,0]=3 13296 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2CCC2 1626a_100000749019_100000720304 [0,1,0,1,0,0|1,0,0]=3 13297 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2CCC2 240690a_100000749019_100000720304 [0,1,0,1,0,0|1,0,0]=3 13298 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2COC2 11a_100016991112_100000720304 [0,1,0,1,0,0|2,0,0]=4 13299 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2COC2 1626a_100016991112_100000720304 [0,1,0,1,0,0|2,0,0]=4 13300 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2COC2 240690a_100016991112_100000720304 [0,1,0,1,0,0|2,0,0]=4 13301 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2CSC2 11a_100016994217_100000720304 [0,1,0,1,0,0|2,0,0]=4 13302 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2CSC2 1626a_100016994217_100000720304 [0,1,0,1,0,0|2,0,0]=4 13303 B17R2.181358 O=C(C=Cc1ccccc1Cl)NC2CSC2 240690a_100016994217_100000720304 [0,1,0,1,0,0|2,0,0]=4 13304 B17R2.181358 O=C(C=Cc1ccccc1F)CC2CCC2 1458a_100016256065_100000763275 [0,1,0,1,0,0|1,0,0]=3 13305 B17R2.181358 O=C(C=Cc1ccccc1F)CC2CCO2 1458a_100016256065_100000103362 [0,1,0,1,0,0|2,0,0]=4 13306 B17R2.181358 O=C(C=Cc1ccccc1F)CC2COC2 1458a_100016256065_100010264016 [0,1,0,1,0,0|2,0,0]=4 13307 B17R2.181358 O=C(C=Cc1ccccc1F)NC2CCC2 11a_100000749019_100016256065 [0,1,0,1,0,0|1,0,0]=3 13308 B17R2.181358 O=C(C=Cc1ccccc1F)NC2CCC2 1626a_100000749019_100016256065 [0,1,0,1,0,0|1,0,0]=3 13309 B17R2.181358 O=C(C=Cc1ccccc1F)NC2CCC2 240690a_100000749019_100016256065 [0,1,0,1,0,0|1,0,0]=3 13310 B17R2.181358 O=C(C=Cc1ccccc1F)NC2COC2 11a_100016991112_100016256065 [0,1,0,1,0,0|2,0,0]=4 13311 B17R2.181358 O=C(C=Cc1ccccc1F)NC2COC2 1626a_100016991112_100016256065 [0,1,0,1,0,0|2,0,0]=4 13312 B17R2.181358 O=C(C=Cc1ccccc1F)NC2COC2 240690a_100016991112_100016256065 [0,1,0,1,0,0|2,0,0]=4 13313 B17R2.181358 O=C(C=Cc1ccccc1F)NC2CSC2 11a_100016994217_100016256065 [0,1,0,1,0,0|2,0,0]=4 13314 B17R2.181358 O=C(C=Cc1ccccc1F)NC2CSC2 1626a_100016994217_100016256065 [0,1,0,1,0,0|2,0,0]=4 13315 B17R2.181358 O=C(C=Cc1ccccc1F)NC2CSC2 240690a_100016994217_100016256065 [0,1,0,1,0,0|2,0,0]=4 13316 B17R2.181358 O=C(C=Cc1ccccc1O)CC2CCC2 1458a_100016263591_100000763275 [0,1,0,1,0,0|1,0,0]=3 13317 B17R2.181358 O=C(C=Cc1ccccc1O)CC2CCO2 1458a_100016263591_100000103362 [0,1,0,1,0,0|2,0,0]=4 13318 B17R2.181358 O=C(C=Cc1ccccc1O)CC2COC2 1458a_100016263591_100010264016 [0,1,0,1,0,0|2,0,0]=4 13319 B17R2.2708 CCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210210 [0,1,0,1,0,0|2,0,0]=4 13320 B17R2.2708 CCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210210 [0,1,0,1,0,0|2,0,0]=4 13321 B17R2.2708 CCCCNc1ccc2ccccc2c1O 34a_100000007060_100000210210 [0,1,0,1,0,0|1,0,1]=4 13322 B17R2.2708 CCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210210 [0,1,0,1,0,0|1,0,0]=3 13323 B17R2.2708 CCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210211 [0,1,0,1,0,0|1,0,0]=3 13324 B17R2.2708 CCCCOc1ccc2ccccc2c1C 34a_100009830054_100000210210 [0,1,0,1,0,0|1,0,0]=3 13325 B17R2.2708 CCCCOc1ccc2ccccc2c1C 7a_100009830054_100000210211 [0,1,0,1,0,0|1,0,0]=3 13326 B17R2.2708 CCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210210 [0,1,0,1,0,0|1,0,0]=3 13327 B17R2.2708 CCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210211 [0,1,0,1,0,0|1,0,0]=3 13328 B17R2.2708 CCCCOc1ccc2ccccc2c1I 34a_100000041551_100000210210 [0,1,0,1,0,0|1,0,0]=3 13329 B17R2.2708 CCCCOc1ccc2ccccc2c1I 7a_100000041551_100000210211 [0,1,0,1,0,0|1,0,0]=3 13330 B17R2.2708 CCCCOc1ccc2ccccc2c1N 34a_100000007056_100000210210 [0,1,0,1,0,0|1,0,0]=3 13331 B17R2.2708 CCCCOc1ccc2ccccc2c1N 7a_100000007056_100000210211 [0,1,0,1,0,0|1,0,0]=3 13332 B17R2.2708 CCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000210210 [0,1,0,1,0,0|2,0,0]=4 13333 B17R2.2708 CCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000210211 [0,1,0,1,0,0|2,0,0]=4 13334 B17R2.2708 CCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000210210 [0,1,0,1,0,0|2,0,0]=4 13335 B17R2.2708 CCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000210211 [0,1,0,1,0,0|2,0,0]=4 13336 B17R2.2708 CCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210210 [0,1,0,1,0,0|2,0,0]=4 13337 B17R2.2708 CCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210211 [0,1,0,1,0,0|2,0,0]=4 13338 B17R2.2708 CCCCSc1c[nH]c2ccccc2c1=O 62a_100000210211_100012348052 [0,1,0,1,0,0|1,1,0]=4 13339 B17R2.2708 CCCCSc1ccc2ccccc2c1Br 62a_100000210211_200010089984 [0,1,0,1,0,0|1,1,0]=4 13340 B17R2.2708 CCCCSc1ccc2ccccc2c1Br 62a_200010089984_100000210210 [0,1,0,1,0,0|1,1,0]=4 13341 B17R2.2708 CCCCSc1ccc2ccccc2c1C 62a_100000210211_100010221197 [0,1,0,1,0,0|1,1,0]=4 13342 B17R2.2708 CCCCSc1ccc2ccccc2c1C 62a_100010221197_100000210210 [0,1,0,1,0,0|1,1,0]=4 13343 B17R2.2708 CCCCSc1ccc2ccccc2c1F 62a_100000210211_100009832041 [0,1,0,1,0,0|1,1,0]=4 13344 B17R2.2708 CCCCSc1ccc2ccccc2c1F 62a_100009832041_100000210210 [0,1,0,1,0,0|1,1,0]=4 13345 B17R2.2708 CCCCSc1ccc2ccccc2c1N 62a_100009817101_100000210210 [0,1,0,1,0,0|1,1,0]=4 13346 B17R2.2708 CCCCSc1ccc2ccccc2c1O 62a_100000210211_100009996032 [0,1,0,1,0,0|0,1,1]=4 13347 B17R2.2708 CCCCSc1coc2ccccc2c1=O 62a_100000210211_100009813851 [0,1,0,1,0,0|1,1,0]=4 13348 B17R2.2708 COCCOc1ccc2ccccc2c1Br 34a_100000183829_100011201679 [0,1,0,1,0,0|2,0,0]=4 13349 B17R2.2708 COCCOc1ccc2ccccc2c1Br 7a_100000183829_100000233755 [0,1,0,1,0,0|2,0,0]=4 13350 B17R2.2708 COCCOc1ccc2ccccc2c1C 34a_100009830054_100011201679 [0,1,0,1,0,0|2,0,0]=4 13351 B17R2.2708 COCCOc1ccc2ccccc2c1C 7a_100009830054_100000233755 [0,1,0,1,0,0|2,0,0]=4 13352 B17R2.2708 COCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011201679 [0,1,0,1,0,0|2,0,0]=4 13353 B17R2.2708 COCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000233755 [0,1,0,1,0,0|2,0,0]=4 13354 B17R2.2708 COCCOc1ccc2ccccc2c1I 34a_100000041551_100011201679 [0,1,0,1,0,0|2,0,0]=4 13355 B17R2.2708 COCCOc1ccc2ccccc2c1I 7a_100000041551_100000233755 [0,1,0,1,0,0|2,0,0]=4 13356 B17R2.2708 COCCOc1ccc2ccccc2c1N 34a_100000007056_100011201679 [0,1,0,1,0,0|2,0,0]=4 13357 B17R2.2708 COCCOc1ccc2ccccc2c1N 7a_100000007056_100000233755 [0,1,0,1,0,0|2,0,0]=4 13358 B17R2.2708 CSCCOc1ccc2ccccc2c1Br 34a_100000183829_100000212216 [0,1,0,1,0,0|2,0,0]=4 13359 B17R2.2708 CSCCOc1ccc2ccccc2c1Br 7a_100000183829_100000212216 [0,1,0,1,0,0|2,0,0]=4 13360 B17R2.2708 CSCCOc1ccc2ccccc2c1C 34a_100009830054_100000212216 [0,1,0,1,0,0|2,0,0]=4 13361 B17R2.2708 CSCCOc1ccc2ccccc2c1C 7a_100009830054_100000212216 [0,1,0,1,0,0|2,0,0]=4 13362 B17R2.2708 CSCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000212216 [0,1,0,1,0,0|2,0,0]=4 13363 B17R2.2708 CSCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000212216 [0,1,0,1,0,0|2,0,0]=4 13364 B17R2.2708 CSCCOc1ccc2ccccc2c1I 34a_100000041551_100000212216 [0,1,0,1,0,0|2,0,0]=4 13365 B17R2.2708 CSCCOc1ccc2ccccc2c1I 7a_100000041551_100000212216 [0,1,0,1,0,0|2,0,0]=4 13366 B17R2.2708 CSCCOc1ccc2ccccc2c1N 34a_100000007056_100000212216 [0,1,0,1,0,0|2,0,0]=4 13367 B17R2.2708 CSCCOc1ccc2ccccc2c1N 7a_100000007056_100000212216 [0,1,0,1,0,0|2,0,0]=4 13368 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCF 34a_100009830054_100011934791 [0,1,0,1,0,0|2,0,0]=4 13369 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCF 7a_100009830054_100011934791 [0,1,0,1,0,0|2,0,0]=4 13370 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCO 34a_100009830054_100000230001 [0,1,0,1,0,0|2,0,0]=4 13371 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCO 7a_100009830054_100011215043 [0,1,0,1,0,0|2,0,0]=4 13372 B17R2.2708 FCCCOc1ccc2ccccc2c1Br 34a_100000183829_100011934791 [0,1,0,1,0,0|2,0,0]=4 13373 B17R2.2708 FCCCOc1ccc2ccccc2c1Br 7a_100000183829_100011934791 [0,1,0,1,0,0|2,0,0]=4 13374 B17R2.2708 FCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011934791 [0,1,0,1,0,0|2,0,0]=4 13375 B17R2.2708 FCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011934791 [0,1,0,1,0,0|2,0,0]=4 13376 B17R2.2708 FCCCOc1ccc2ccccc2c1I 34a_100000041551_100011934791 [0,1,0,1,0,0|2,0,0]=4 13377 B17R2.2708 FCCCOc1ccc2ccccc2c1I 7a_100000041551_100011934791 [0,1,0,1,0,0|2,0,0]=4 13378 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCF 34a_100000007056_100011934791 [0,1,0,1,0,0|2,0,0]=4 13379 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCF 7a_100000007056_100011934791 [0,1,0,1,0,0|2,0,0]=4 13380 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCO 34a_100000007056_100000230001 [0,1,0,1,0,0|2,0,0]=4 13381 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCO 7a_100000007056_100011215043 [0,1,0,1,0,0|2,0,0]=4 13382 B17R2.2708 OCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000230001 [0,1,0,1,0,0|2,0,0]=4 13383 B17R2.2708 OCCCOc1ccc2ccccc2c1Br 7a_100000183829_100011215043 [0,1,0,1,0,0|2,0,0]=4 13384 B17R2.2708 OCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000230001 [0,1,0,1,0,0|2,0,0]=4 13385 B17R2.2708 OCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011215043 [0,1,0,1,0,0|2,0,0]=4 13386 B17R2.2708 OCCCOc1ccc2ccccc2c1I 34a_100000041551_100000230001 [0,1,0,1,0,0|2,0,0]=4 13387 B17R2.2708 OCCCOc1ccc2ccccc2c1I 7a_100000041551_100011215043 [0,1,0,1,0,0|2,0,0]=4 13388 B17R2.330382 CCCCc1c(ccc2c1cccc2)C=O 271570a_100020621405_100009813496 [0,1,0,1,0,0|1,0,0]=3 13389 B17R2.330382 CCCCc1c(ccc2c1cccc2)OC 271570a_100020621405_100000173347 [0,1,0,1,0,0|1,0,1]=4 13390 B17R2.330382 CCCOc1c(ccc2c1cccc2)N=O 34a_100000212301_100000210303 [0,1,0,1,0,0|2,0,0]=4 13391 B17R2.330382 CCCSc1c(ccc2c1cccc2)C=O 62a_100000210303_100009813496 [0,1,0,1,0,0|2,0,0]=4 13392 B17R2.330382 CCCSc1c(ccc2c1cccc2)C=O 62a_100009813496_100000210303 [0,1,0,1,0,0|2,0,0]=4 13393 B17R2.20254 O=S(=O)(C=Cc1ccccc1)N2CCCC2 40a_100000188435_100011098038 [0,1,0,1,0,0|2,0,0]=4 13394 B17R2.22507 CC1CCN1S(=O)(=O)C=Cc2ccccc2 40a_100000755817_100011098038 [0,1,0,1,0,0|2,0,0]=4 13395 B17R2.726601 O=S(=O)(C=Cc1ccccc1)NC2CCC2 40a_100000749019_100011098038 [0,1,0,1,0,0|2,0,0]=4 13396 B17R2.726603 O=S(=O)(C=Cc1ccccc1)NCC2CC2 40a_100000735609_100011098038 [0,1,0,1,0,0|2,0,0]=4 13397 B17R3.4539 CC1CCN1c2ccc3ccccc3n2 27a_100000755817_100011291633 [0,0,0,2,0,0|2,0,0]=4 13398 B17R3.1917 c1ccc2nc(ccc2c1)N3CCCC3 27a_100000188435_100011291633 [0,0,0,2,0,0|2,0,0]=4 13399 B17R3.123564 c1cc2cc(ccc2cn1)OC3CCC3 34a_100000046372_100000749161 [0,0,0,2,0,0|2,0,0]=4 13400 B17R3.123564 c1ccc2cc(ccc2c1)NC3CCC3 34a_100000211940_100000749161 [0,0,0,2,0,0|2,0,0]=4 13401 B17R3.123564 c1ccc2cc(ccc2c1)OC3CCC3 34a_100000185828_100000749161 [0,0,0,2,0,0|1,0,0]=3 13402 B17R3.123564 c1ccc2cc(ccc2c1)OC3COC3 34a_100000185828_100009818527 [0,0,0,2,0,0|2,0,0]=4 13403 B17R3.123564 c1ccc2cc(ccc2c1)OC3COC3 7a_100000185828_100009818527 [0,0,0,2,0,0|2,0,0]=4 13404 B17R3.123564 c1ccc2nc(ccc2c1)NC3CCC3 27a_100000749019_100011291633 [0,0,0,2,0,0|2,0,0]=4 13405 B17R3.123564 c1ccc2nc(ccc2c1)SC3CCC3 62a_100011291633_100000749161 [0,0,0,2,0,0|1,1,0]=4 13406 B17R3.123564 c1ccc2ncc(cc2c1)OC3CCC3 34a_100011934006_100000749161 [0,0,0,2,0,0|2,0,0]=4 13407 B17R3.123564 c1cnc2cc(ccc2c1)OC3CCC3 34a_100011216045_100000749161 [0,0,0,2,0,0|2,0,0]=4 13408 B17R3.123564 c1cnc2ccc(cc2c1)OC3CCC3 34a_100011215586_100000749161 [0,0,0,2,0,0|2,0,0]=4 13409 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 34a_100000046372_100000742324 [0,0,0,2,0,0|2,0,0]=4 13410 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 7a_100000046372_100000742324 [0,0,0,2,0,0|2,0,0]=4 13411 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CC3 7a_100000752006_100000742324 [0,0,0,2,0,0|2,0,0]=4 13412 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 34a_100000211940_100000742324 [0,0,0,2,0,0|2,0,0]=4 13413 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 7a_100000211940_100000742324 [0,0,0,2,0,0|2,0,0]=4 13414 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 34a_100000185828_100000742324 [0,0,0,2,0,0|1,0,0]=3 13415 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 7a_100000185828_100000742324 [0,0,0,2,0,0|1,0,0]=3 13416 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 34a_100000185828_102125554688 [0,0,0,2,0,0|2,0,0]=4 13417 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 7a_100000185828_102125554688 [0,0,0,2,0,0|2,0,0]=4 13418 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CS3 7a_100000185828_100000031435 [0,0,0,2,0,0|2,0,0]=4 13419 B17R3.648661 c1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000185828_100000745022 [0,0,0,2,0,0|2,0,0]=4 13420 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000233703 [0,0,0,2,0,0|1,1,0]=4 13421 B17R3.648661 c1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011291633 [0,0,0,2,0,0|2,0,0]=4 13422 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011291633 [0,0,0,2,0,0|1,1,0]=4 13423 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100011291633_100000742324 [0,0,0,2,0,0|1,1,0]=4 13424 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 34a_100011934006_100000742324 [0,0,0,2,0,0|2,0,0]=4 13425 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 7a_100011934006_100000742324 [0,0,0,2,0,0|2,0,0]=4 13426 B17R3.648661 c1cnc2cc(ccc2c1)OCC3CC3 34a_100011216045_100000742324 [0,0,0,2,0,0|2,0,0]=4 13427 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 34a_100011215586_100000742324 [0,0,0,2,0,0|2,0,0]=4 13428 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 7a_100011215586_100000742324 [0,0,0,2,0,0|2,0,0]=4 13429 B13R0.195 C=CC=CC(=O)CC(=O)OCCCC 1458a_100016291481_100000211628 [0,0,1,0,1,0|1,0,1]=4 13430 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [1,0,0,0,1,0|1,0,0]=3 13431 B13R1.44 CCCCC(=Cc1ccccn1)Br 271570a_206741709834_100011216584 [1,0,0,0,1,0|2,0,0]=4 13432 B13R1.44 CCCCC(=Cc1cccnc1)Br 271570a_206741709834_100000752921 [1,0,0,0,1,0|2,0,0]=4 13433 B13R1.44 CCCCC(=Cc1ccncc1)Br 271570a_206741709834_100000035832 [1,0,0,0,1,0|2,0,0]=4 13434 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [1,0,0,0,1,0|1,0,1]=4 13435 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [1,0,0,0,1,0|0,0,1]=3 13436 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [1,0,0,0,1,0|1,0,1]=4 13437 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [1,0,0,0,1,0|1,0,1]=4 13438 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [1,0,0,0,1,0|1,0,1]=4 13439 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [1,0,0,0,1,0|1,0,1]=4 13440 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [1,0,0,0,1,0|1,0,1]=4 13441 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [1,0,0,0,1,0|1,0,0]=3 13442 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [1,0,0,0,1,0|1,0,0]=3 13443 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [1,0,0,0,1,0|1,0,0]=3 13444 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [1,0,0,0,1,0|1,0,0]=3 13445 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [1,0,0,0,1,0|2,0,0]=4 13446 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [1,0,0,0,1,0|1,0,1]=4 13447 B13R1.44 CCNCC(=O)Nc1ccccc1 2230a_100015525214_100000182850 [1,0,0,0,1,0|2,0,0]=4 13448 B13R1.44 CCNCC(=O)Oc1ccccc1 2230a_100015525214_100009813826 [1,0,0,0,1,0|2,0,0]=4 13449 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [1,0,0,0,1,0|2,0,0]=4 13450 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [1,0,0,0,1,0|2,0,0]=4 13451 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [1,0,0,0,1,0|1,0,1]=4 13452 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [1,0,0,0,1,0|2,0,0]=4 13453 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [1,0,0,0,1,0|2,0,0]=4 13454 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [1,0,0,0,1,0|2,0,0]=4 13455 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [1,0,0,0,1,0|2,0,0]=4 13456 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [1,0,0,0,1,0|2,0,0]=4 13457 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [1,0,0,0,1,0|2,0,0]=4 13458 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [1,0,0,0,1,0|2,0,0]=4 13459 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [1,0,0,0,1,0|1,0,1]=4 13460 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [1,0,0,0,1,0|1,0,1]=4 13461 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [1,0,0,0,1,0|1,0,1]=4 13462 B13R1.44 CCSCC(=O)Nc1ccccc1 11a_100000106764_100000230394 [1,0,0,0,1,0|2,0,0]=4 13463 B13R1.44 CCSCC(=O)Nc1ccccc1 1626a_100000106764_100000230394 [1,0,0,0,1,0|2,0,0]=4 13464 B13R1.44 CCSCC(=O)Nc1ccccc1 22a_100000106764_100000230394 [1,0,0,0,1,0|2,0,0]=4 13465 B13R1.44 CCSCC(=O)Nc1ccccc1 527a_100000106764_100000230394 [1,0,0,0,1,0|2,0,0]=4 13466 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100000210202_100000182850 [1,0,0,0,1,0|2,0,0]=4 13467 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100012148978_100000210202 [1,0,0,0,1,0|2,0,0]=4 13468 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100000210202_100009813826 [1,0,0,0,1,0|2,0,0]=4 13469 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100009813826_100000210202 [1,0,0,0,1,0|2,0,0]=4 13470 B13R1.44 CNCCC(=O)Nc1ccccc1 2230a_106832991635_100000242058 [1,0,0,0,1,0|2,0,0]=4 13471 B13R1.44 CNCCC(=O)Nc1ccccc1 34a_100102657272_100000242058 [1,0,0,0,1,0|2,0,0]=4 13472 B13R1.44 CNCCC(=O)Nc1ccccc1 7a_106832991635_100000242058 [1,0,0,0,1,0|2,0,0]=4 13473 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [1,0,0,0,1,0|2,0,0]=4 13474 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [1,0,0,0,1,0|2,0,0]=4 13475 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [1,0,0,0,1,0|1,0,1]=4 13476 B13R1.44 COCCC(=O)Nc1ccccc1 11a_100000106764_100000749529 [1,0,0,0,1,0|2,0,0]=4 13477 B13R1.44 COCCC(=O)Nc1ccccc1 1626a_100000106764_100000749529 [1,0,0,0,1,0|2,0,0]=4 13478 B13R1.44 COCCC(=O)Nc1ccccc1 22a_100000106764_100000749529 [1,0,0,0,1,0|2,0,0]=4 13479 B13R1.44 COCCC(=O)Nc1ccccc1 34a_100138415774_100000242058 [1,0,0,0,1,0|2,0,0]=4 13480 B13R1.44 COCCC(=O)Nc1ccccc1 527a_100000106764_100000749529 [1,0,0,0,1,0|2,0,0]=4 13481 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [1,0,0,0,1,0|1,0,1]=4 13482 B13R1.44 CSCCC(=O)Nc1ccccc1 11a_100000106764_100000174002 [1,0,0,0,1,0|2,0,0]=4 13483 B13R1.44 CSCCC(=O)Nc1ccccc1 1626a_100000106764_100000174002 [1,0,0,0,1,0|2,0,0]=4 13484 B13R1.44 CSCCC(=O)Nc1ccccc1 22a_100000106764_100000174002 [1,0,0,0,1,0|2,0,0]=4 13485 B13R1.44 CSCCC(=O)Nc1ccccc1 527a_100000106764_100000174002 [1,0,0,0,1,0|2,0,0]=4 13486 B13R1.44 CSCCC(=O)Nc1ccccc1 62a_200000210301_100000242058 [1,0,0,0,1,0|2,0,0]=4 13487 B13R1.44 CSCCC(=O)Oc1ccccc1 62a_200000210301_200000035796 [1,0,0,0,1,0|2,0,0]=4 13488 B13R1.44 [13CH3]SCCC(=O)Nc1ccccc1 62a_200025704644_100000242058 [1,0,0,0,1,0|2,0,0]=4 13489 B13R1.44 [13CH3]SCCC(=O)Oc1ccccc1 62a_200025704644_200000035796 [1,0,0,0,1,0|2,0,0]=4 13490 B13R1.153 CCCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210211 [1,0,0,0,1,0|2,0,0]=4 13491 B13R1.153 CCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210211 [1,0,0,0,1,0|1,0,0]=3 13492 B13R1.153 CCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210211 [1,0,0,0,1,0|1,0,0]=3 13493 B13R1.153 CCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210211 [1,0,0,0,1,0|1,0,0]=3 13494 B13R1.153 CCCCC(=O)C=Cc1cscn1 1458a_200000747928_100000210211 [1,0,0,0,1,0|2,0,0]=4 13495 B13R1.153 CCCCC(=O)C=Cc1nccs1 1458a_100102558208_100000210211 [1,0,0,0,1,0|2,0,0]=4 13496 B13R1.153 CCCCC(=O)C=Cc1nccs1 6a_100000750902_100000032102 [1,0,0,0,1,0|2,0,0]=4 13497 B13R1.153 CCCNC(=O)C=Cc1cccs1 11a_100020643023_100000182767 [1,0,0,0,1,0|2,0,0]=4 13498 B13R1.153 CCCNC(=O)C=Cc1cccs1 1626a_100020643023_100000182767 [1,0,0,0,1,0|2,0,0]=4 13499 B13R1.153 CCCNC(=O)C=Cc1cccs1 240690a_100020643023_100000182767 [1,0,0,0,1,0|2,0,0]=4 13500 B13R1.153 CCCNC(=O)C=Cc1ccoc1 11a_100020643023_100000238621 [1,0,0,0,1,0|2,0,0]=4 13501 B13R1.153 CCCNC(=O)C=Cc1ccoc1 1626a_100020643023_100000238621 [1,0,0,0,1,0|2,0,0]=4 13502 B13R1.153 CCCNC(=O)C=Cc1ccoc1 240690a_100020643023_100000238621 [1,0,0,0,1,0|2,0,0]=4 13503 B13R1.153 CCCNC(=O)C=Cc1ccsc1 11a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 13504 B13R1.153 CCCNC(=O)C=Cc1ccsc1 1626a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 13505 B13R1.153 CCCNC(=O)C=Cc1ccsc1 240690a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 13506 B13R1.153 CCCNC(=O)C=Cc1ccsc1 527a_100020643023_100000698588 [1,0,0,0,1,0|2,0,0]=4 13507 B13R1.153 COCCC(=O)C=Cc1cccs1 1458a_100000182767_100000233755 [1,0,0,0,1,0|2,0,0]=4 13508 B13R1.153 COCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000233755 [1,0,0,0,1,0|2,0,0]=4 13509 B13R1.153 COCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000233755 [1,0,0,0,1,0|2,0,0]=4 13510 B13R1.153 CSCCC(=O)C=Cc1cccs1 1458a_100000182767_100000751147 [1,0,0,0,1,0|2,0,0]=4 13511 B13R1.153 CSCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000751147 [1,0,0,0,1,0|2,0,0]=4 13512 B13R1.153 CSCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000751147 [1,0,0,0,1,0|2,0,0]=4 13513 B13R1.153 O=C(C=Cc1cccs1)CCCF 1458a_100000182767_100011934791 [1,0,0,0,1,0|2,0,0]=4 13514 B13R1.153 O=C(C=Cc1cccs1)CCCO 1458a_100000182767_100011215043 [1,0,0,0,1,0|2,0,0]=4 13515 B13R1.153 O=C(C=Cc1ccoc1)CCCF 1458a_100000238621_100011934791 [1,0,0,0,1,0|2,0,0]=4 13516 B13R1.153 O=C(C=Cc1ccoc1)CCCO 1458a_100000238621_100011215043 [1,0,0,0,1,0|2,0,0]=4 13517 B13R1.153 O=C(C=Cc1ccsc1)CCCF 1458a_100000698588_100011934791 [1,0,0,0,1,0|2,0,0]=4 13518 B13R1.153 O=C(C=Cc1ccsc1)CCCO 1458a_100000698588_100011215043 [1,0,0,0,1,0|2,0,0]=4 13519 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,0,0,0,2,0|1,0,0]=3 13520 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,0,0,0,2,0|1,0,0]=3 13521 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,0,0,0,2,0|1,0,0]=3 13522 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,0,0,0,2,0|1,0,0]=3 13523 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,0,0,0,2,0|1,0,0]=3 13524 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,0,0,0,2,0|1,0,1]=4 13525 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,0,0,0,2,0|1,0,1]=4 13526 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,0,0,0,2,0|1,0,1]=4 13527 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,0,0,0,2,0|1,0,1]=4 13528 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [0,0,0,0,2,0|2,0,0]=4 13529 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,0,0,0,2,0|2,0,0]=4 13530 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,0,0,0,2,0|2,0,0]=4 13531 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,0,0,0,2,0|2,0,0]=4 13532 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,0,0,0,2,0|2,0,0]=4 13533 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,0,0,0,2,0|2,0,0]=4 13534 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,0,0,0,2,0|2,0,0]=4 13535 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,0,0,0,2,0|2,0,0]=4 13536 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [0,0,0,0,2,0|1,0,0]=3 13537 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [0,0,0,0,2,0|1,0,0]=3 13538 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,0,0,0,2,0|2,0,0]=4 13539 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,0,0,0,2,0|2,0,0]=4 13540 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [0,0,0,0,2,0|2,0,0]=4 13541 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [0,0,0,0,2,0|2,0,0]=4 13542 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,0,0,0,2,0|1,0,0]=3 13543 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,0,0,0,2,0|1,0,0]=3 13544 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,0,0,0,2,0|2,0,0]=4 13545 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [0,0,0,0,2,0|2,0,0]=4 13546 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [0,0,0,0,2,0|2,0,0]=4 13547 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [0,0,0,0,2,0|2,0,0]=4 13548 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [0,0,0,0,2,0|2,0,0]=4 13549 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [0,0,0,0,2,0|2,0,0]=4 13550 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [0,0,0,0,2,0|1,0,0]=3 13551 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [0,0,0,0,2,0|1,0,0]=3 13552 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,0,0,0,2,0|2,0,0]=4 13553 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,0,0,0,2,0|2,0,0]=4 13554 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [0,0,0,0,2,0|2,0,0]=4 13555 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [0,0,0,0,2,0|2,0,0]=4 13556 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [0,0,0,0,2,0|2,0,0]=4 13557 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [0,0,0,0,2,0|2,0,0]=4 13558 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [0,0,0,0,2,0|2,0,0]=4 13559 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [0,0,0,0,2,0|2,0,0]=4 13560 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [0,0,0,0,2,0|1,0,0]=3 13561 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [0,0,0,0,2,0|1,0,0]=3 13562 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,0,0,0,2,0|2,0,0]=4 13563 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,0,0,0,2,0|2,0,0]=4 13564 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,0,0,0,2,0|2,0,0]=4 13565 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,0,0,0,2,0|2,0,0]=4 13566 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,0,0,0,2,0|2,0,0]=4 13567 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,0,0,0,2,0|2,0,0]=4 13568 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,0,0,0,2,0|2,0,0]=4 13569 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,0,0,0,2,0|2,0,0]=4 13570 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100000073877_100015361967 [0,0,0,0,2,0|2,0,0]=4 13571 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100015361967_100000073877 [0,0,0,0,2,0|2,0,0]=4 13572 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [0,0,0,0,2,0|2,0,0]=4 13573 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [0,0,0,0,2,0|2,0,0]=4 13574 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [0,0,0,0,2,0|2,0,0]=4 13575 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [0,0,0,0,2,0|1,0,0]=3 13576 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,0,0,0,2,0|2,0,0]=4 13577 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,0,0,0,2,0|2,0,0]=4 13578 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [0,0,0,0,2,0|2,0,0]=4 13579 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [0,0,0,0,2,0|2,0,0]=4 13580 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [0,0,0,0,2,0|1,0,0]=3 13581 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [0,0,0,0,2,0|1,0,0]=3 13582 B17R1.1854 CCCC#CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_200011218047 [0,0,0,0,0,2|1,0,1]=4 13583 B17R1.1854 CCCC=CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000212230 [0,0,0,0,0,2|1,0,1]=4 13584 B17R1.1854 CCCC=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000212230 [0,0,0,0,0,2|1,0,1]=4 13585 B17R1.1854 CCCC=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000212230 [0,0,0,0,0,2|1,0,1]=4 13586 B17R1.1854 CCCCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210326 [0,0,0,0,0,2|1,0,0]=3 13587 B17R1.1854 CCCCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000210326 [0,0,0,0,0,2|1,0,0]=3 13588 B17R1.1854 CCCCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000212188 [0,0,0,0,0,2|1,0,0]=3 13589 B17R1.1854 CCCCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000212188 [0,0,0,0,0,2|1,0,0]=3 13590 B17R1.1854 CCCCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000212188 [0,0,0,0,0,2|1,0,0]=3 13591 B17R1.1854 CCCCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000212188 [0,0,0,0,0,2|1,0,0]=3 13592 B17R1.1854 CCCCCC(=O)NN=CCc1ccccc1 4a_100000189784_100000209964 [0,0,0,0,0,2|1,0,1]=4 13593 B17R1.1854 CCCCNC(=O)C=C/C=C/c1ccccc1 1626a_100000102301_100016289705 [0,0,0,0,0,2|1,0,0]=3 13594 B17R1.1854 CCCCNC(=O)C=CCCc1ccccc1 11a_100000102301_100016484021 [0,0,0,0,0,2|1,0,0]=3 13595 B17R1.1854 CCCCNC(=O)C=CCCc1ccccc1 1626a_100000102301_100016484021 [0,0,0,0,0,2|1,0,0]=3 13596 B17R1.1854 CCCCNC(=O)C=CCCc1ccccc1 240690a_100000102301_100016484021 [0,0,0,0,0,2|1,0,0]=3 13597 B17R1.1854 CCCCNC(=O)NC/C=C/c1ccccc1 2708a_100000102301_100020603302 [0,0,0,0,0,2|1,0,0]=3 13598 B17R1.1854 CCCCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000102301 [0,0,0,0,0,2|1,0,0]=3 13599 B17R1.1854 CCCCNC(=O)NC/C=C/c1ccccc1 273464a_100000102301_100020603302 [0,0,0,0,0,2|1,0,0]=3 13600 B17R1.1854 CCCCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000102301 [0,0,0,0,0,2|1,0,0]=3 13601 B17R1.1854 CCCCNC(=O)NC/C=C/c1ccccc1 512a_100000102301_100020603302 [0,0,0,0,0,2|1,0,0]=3 13602 B17R1.1854 CCCCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000102301 [0,0,0,0,0,2|1,0,0]=3 13603 B17R1.1854 CCCCOC(=O)CNCCc1ccccc1 2230a_100000106460_100000211628 [0,0,0,0,0,2|0,0,2]=4 13604 B17R1.1854 CCCCOC(=O)CNCCc1ccccc1 34a_100000106460_100000211628 [0,0,0,0,0,2|0,0,2]=4 13605 B17R1.1854 CCCCOC(=O)COCCc1ccccc1 34a_100000210268_100000211628 [0,0,0,0,0,2|0,0,2]=4 13606 B17R1.1854 CCCCOC(=O)COCCc1ccccc1 7a_100000210268_100000211628 [0,0,0,0,0,2|0,0,2]=4 13607 B17R1.1854 CCCCOC(=O)CSCCc1ccccc1 62a_100000211628_100011218657 [0,0,0,0,0,2|0,0,2]=4 13608 B17R1.1854 CCCCOC(=O)CSCCc1ccccc1 62a_100000765856_100000211628 [0,0,0,0,0,2|0,0,2]=4 13609 B17R1.1854 CCCCOC(=O)CSCSc1ccccc1 62a_100000211628_100011218342 [0,0,0,0,0,2|0,0,2]=4 13610 B17R1.1854 CCCCOC(=O)CSCSc1ccccc1 62a_100011218342_100000211628 [0,0,0,0,0,2|0,0,2]=4 13611 B17R1.1854 CCCNNC(=O)C=C/C=C/c1ccccc1 22a_100000740057_100016289705 [0,0,0,0,0,2|2,0,0]=4 13612 B17R1.1854 CCCNNC(=O)C=CCCc1ccccc1 22a_100000740057_100016484021 [0,0,0,0,0,2|2,0,0]=4 13613 B17R1.1854 CCCNNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000740057 [0,0,0,0,0,2|2,0,0]=4 13614 B17R1.1854 CCCNNC(=O)NC/C=C/c1ccccc1 512a_100000740057_100020603302 [0,0,0,0,0,2|2,0,0]=4 13615 B17R1.1854 CCCNNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000740057 [0,0,0,0,0,2|2,0,0]=4 13616 B17R1.1854 CCCOCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000745993 [0,0,0,0,0,2|2,0,0]=4 13617 B17R1.1854 CCCOCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000745993 [0,0,0,0,0,2|2,0,0]=4 13618 B17R1.1854 CCCOCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000745993 [0,0,0,0,0,2|2,0,0]=4 13619 B17R1.1854 CCCOCC(=O)NC/C=C/c1ccccc1 34a_100000210258_100102863107 [0,0,0,0,0,2|2,0,0]=4 13620 B17R1.1854 CCCOCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000745993 [0,0,0,0,0,2|2,0,0]=4 13621 B17R1.1854 CCCSCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000217233 [0,0,0,0,0,2|2,0,0]=4 13622 B17R1.1854 CCCSCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000217233 [0,0,0,0,0,2|2,0,0]=4 13623 B17R1.1854 CCCSCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000217233 [0,0,0,0,0,2|2,0,0]=4 13624 B17R1.1854 CCCSCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000217233 [0,0,0,0,0,2|2,0,0]=4 13625 B17R1.1854 CCCSCC(=O)NC/C=C/c1ccccc1 62a_100000210303_100102863107 [0,0,0,0,0,2|2,0,0]=4 13626 B17R1.1854 CCCSCC(=O)NC/C=C/c1ccccc1 62a_100102863107_100000210303 [0,0,0,0,0,2|2,0,0]=4 13627 B17R1.1854 CCOCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100011215890 [0,0,0,0,0,2|2,0,0]=4 13628 B17R1.1854 CCOCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100011215890 [0,0,0,0,0,2|2,0,0]=4 13629 B17R1.1854 CCOCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000749530 [0,0,0,0,0,2|2,0,0]=4 13630 B17R1.1854 CCOCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000749530 [0,0,0,0,0,2|2,0,0]=4 13631 B17R1.1854 CCOCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000749530 [0,0,0,0,0,2|2,0,0]=4 13632 B17R1.1854 CCOCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000749530 [0,0,0,0,0,2|2,0,0]=4 13633 B17R1.1854 CCSCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000757381 [0,0,0,0,0,2|2,0,0]=4 13634 B17R1.1854 CCSCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000757381 [0,0,0,0,0,2|2,0,0]=4 13635 B17R1.1854 CCSCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000230768 [0,0,0,0,0,2|2,0,0]=4 13636 B17R1.1854 CCSCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000230768 [0,0,0,0,0,2|2,0,0]=4 13637 B17R1.1854 CCSCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000230768 [0,0,0,0,0,2|2,0,0]=4 13638 B17R1.1854 CCSCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000230768 [0,0,0,0,0,2|2,0,0]=4 13639 B17R1.1854 COCCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000740836 [0,0,0,0,0,2|2,0,0]=4 13640 B17R1.1854 COCCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000740836 [0,0,0,0,0,2|2,0,0]=4 13641 B17R1.1854 COCCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000741012 [0,0,0,0,0,2|2,0,0]=4 13642 B17R1.1854 COCCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000741012 [0,0,0,0,0,2|2,0,0]=4 13643 B17R1.1854 COCCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000741012 [0,0,0,0,0,2|2,0,0]=4 13644 B17R1.1854 COCCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000741012 [0,0,0,0,0,2|2,0,0]=4 13645 B17R1.1854 COCCNC(=O)C=C/C=C/c1ccccc1 1626a_100000209980_100016289705 [0,0,0,0,0,2|2,0,0]=4 13646 B17R1.1854 COCCNC(=O)C=CCCc1ccccc1 1626a_100000209980_100016484021 [0,0,0,0,0,2|2,0,0]=4 13647 B17R1.1854 COCCNC(=O)C=CCCc1ccccc1 240690a_100000209980_100016484021 [0,0,0,0,0,2|2,0,0]=4 13648 B17R1.1854 COCCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000209980 [0,0,0,0,0,2|2,0,0]=4 13649 B17R1.1854 COCCNC(=O)NC/C=C/c1ccccc1 273464a_100000209980_100020603302 [0,0,0,0,0,2|2,0,0]=4 13650 B17R1.1854 COCCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000209980 [0,0,0,0,0,2|2,0,0]=4 13651 B17R1.1854 CSCCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000173376 [0,0,0,0,0,2|2,0,0]=4 13652 B17R1.1854 CSCCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000173376 [0,0,0,0,0,2|2,0,0]=4 13653 B17R1.1854 CSCCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000173376 [0,0,0,0,0,2|2,0,0]=4 13654 B17R1.1854 CSCCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000173376 [0,0,0,0,0,2|2,0,0]=4 13655 B17R1.1854 CSCCNC(=O)C=C/C=C/c1ccccc1 1626a_100020590264_100016289705 [0,0,0,0,0,2|2,0,0]=4 13656 B17R1.1854 CSCCNC(=O)C=CCCc1ccccc1 11a_100020590264_100016484021 [0,0,0,0,0,2|2,0,0]=4 13657 B17R1.1854 CSCCNC(=O)C=CCCc1ccccc1 1626a_100020590264_100016484021 [0,0,0,0,0,2|2,0,0]=4 13658 B17R1.1854 CSCCNC(=O)C=CCCc1ccccc1 240690a_100020590264_100016484021 [0,0,0,0,0,2|2,0,0]=4 13659 B17R1.1854 CSCCNC(=O)NC/C=C/c1ccccc1 2708a_100020590264_100020603302 [0,0,0,0,0,2|2,0,0]=4 13660 B17R1.1854 CSCCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100020590264 [0,0,0,0,0,2|2,0,0]=4 13661 B17R1.1854 CSCCNC(=O)NC/C=C/c1ccccc1 273464a_100020590264_100020603302 [0,0,0,0,0,2|2,0,0]=4 13662 B17R1.1854 CSCCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100020590264 [0,0,0,0,0,2|2,0,0]=4 13663 B17R1.1854 CSCCNC(=O)NC/C=C/c1ccccc1 512a_100020590264_100020603302 [0,0,0,0,0,2|2,0,0]=4 13664 B17R1.1854 CSCCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100020590264 [0,0,0,0,0,2|2,0,0]=4 13665 B17R1.1854 O=C(C=C/C=C/c1ccccc1)CCCCF 1458a_100016289705_100000729493 [0,0,0,0,0,2|2,0,0]=4 13666 B17R1.1854 O=C(C=C/C=C/c1ccccc1)CCCCO 1458a_100016289705_100000210776 [0,0,0,0,0,2|2,0,0]=4 13667 B17R1.1854 O=C(C=C/C=C/c1ccccc1)NCCCF 1626a_100015189416_100016289705 [0,0,0,0,0,2|2,0,0]=4 13668 B17R1.1854 O=C(C=CCCc1ccccc1)CCCCF 1458a_100016484021_100000729493 [0,0,0,0,0,2|2,0,0]=4 13669 B17R1.1854 O=C(C=CCCc1ccccc1)CCCCO 1458a_100016484021_100000210776 [0,0,0,0,0,2|2,0,0]=4 13670 B17R1.1854 O=C(C=CCCc1ccccc1)NCCCF 11a_100015189416_100016484021 [0,0,0,0,0,2|2,0,0]=4 13671 B17R1.1854 O=C(C=CCCc1ccccc1)NCCCF 1626a_100015189416_100016484021 [0,0,0,0,0,2|2,0,0]=4 13672 B17R1.1854 O=C(C=CCCc1ccccc1)NCCCF 240690a_100015189416_100016484021 [0,0,0,0,0,2|2,0,0]=4 13673 B17R1.1854 O=C(C=CCCc1ccccc1)NCCCO 240690a_100000182051_100016484021 [0,0,0,0,0,2|2,0,0]=4 13674 B17R1.1854 O=C(CCCCO)NC/C=C/c1ccccc1 1626a_100020603302_100000695505 [0,0,0,0,0,2|2,0,0]=4 13675 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCF 2708a_100015189416_100020603302 [0,0,0,0,0,2|2,0,0]=4 13676 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCF 2708a_100020603302_100015189416 [0,0,0,0,0,2|2,0,0]=4 13677 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCF 273464a_100015189416_100020603302 [0,0,0,0,0,2|2,0,0]=4 13678 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCF 273464a_100020603302_100015189416 [0,0,0,0,0,2|2,0,0]=4 13679 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCF 512a_100015189416_100020603302 [0,0,0,0,0,2|2,0,0]=4 13680 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCF 512a_100020603302_100015189416 [0,0,0,0,0,2|2,0,0]=4 13681 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCO 2708a_100020603302_100000182051 [0,0,0,0,0,2|2,0,0]=4 13682 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCO 273464a_100000182051_100020603302 [0,0,0,0,0,2|2,0,0]=4 13683 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCO 273464a_100020603302_100000182051 [0,0,0,0,0,2|2,0,0]=4 13684 B17R1.1854 O=C(NC/C=C/c1ccccc1)NCCCO 512a_100020603302_100000182051 [0,0,0,0,0,2|2,0,0]=4